MetOH_1000                                                                      
         2         3      6000
timestep        10      6000         2         3    0.002000
   40.90       0.000       0.000    
   0.000       40.90       0.000    
   0.000       0.000       40.90    
CT               1   12.011000    0.145000
 -1.9097E+01 -1.1203E+01  1.6691E+01
  4.8478E+00  1.8869E-01 -5.7787E+00
 -6.6897E+03  3.5624E+03 -2.3058E+03
OH               2    0.000000   -0.683000
 -1.8671E+01 -9.9232E+00  1.7100E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO               3    1.008000    0.418000
 -1.9354E+01 -9.2975E+00  1.6915E+01
 -5.1891E+00 -6.7315E+00 -4.0856E+00
  8.1952E+02  2.8915E+02 -1.5416E+03
HC               4    1.008000    0.040000
 -1.8576E+01 -1.2120E+01  1.6969E+01
  2.0980E+00 -1.6772E+00 -6.7317E+00
  1.2719E+03  1.5867E+03  4.1765E+02
HC               5    1.008000    0.040000
 -1.9165E+01 -1.1119E+01  1.5606E+01
  1.7511E+01 -1.3595E+01 -7.9778E+00
  2.4129E+03 -1.6690E+03 -4.2204E+02
HC               6    1.008000    0.040000
 -2.0152E+01 -1.1289E+01  1.6949E+01
  3.2216E+00 -1.3393E+01 -1.5822E+01
  3.1578E+02 -1.8621E+03  1.6302E+03
CT               7   12.011000    0.145000
  4.5713E+00  6.4956E-01 -1.1291E+01
  7.7661E+00  4.2795E+00 -9.9636E-01
  5.5884E+03  3.5058E+03 -1.1013E+02
OH               8    0.000000   -0.683000
  3.9664E+00  1.8363E+00 -1.0828E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO               9    1.008000    0.418000
  3.0654E+00  1.6022E+00 -1.0666E+01
 -2.9232E+00  1.5612E+01  8.2397E+00
  7.1122E+02  4.1888E+02  3.1779E+03
HC              10    1.008000    0.040000
  4.2650E+00  4.5862E-01 -1.2319E+01
 -9.6630E+00  4.1145E+00  3.9048E+00
 -2.9364E+03 -2.5171E+03  1.6268E+03
HC              11    1.008000    0.040000
  4.4959E+00 -1.3935E-01 -1.0542E+01
 -4.2230E+00  1.4655E+01  9.2098E+00
 -3.3011E+03 -5.3918E+02 -1.6895E+03
HC              12    1.008000    0.040000
  5.6542E+00  6.3388E-01 -1.1413E+01
  9.4750E+00 -2.1151E+01  1.0909E+01
 -3.2386E+02  3.2388E+03  1.2807E+03
CT              13   12.011000    0.145000
 -3.8191E+00  1.2778E+01  6.2385E+00
 -6.4321E-02 -5.6719E-01 -4.3927E-01
  6.3229E+02 -1.0583E+03 -5.6742E+02
OH              14    0.000000   -0.683000
 -4.1814E+00  1.1970E+01  7.3359E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              15    1.008000    0.418000
 -3.3677E+00  1.1603E+01  7.6464E+00
 -7.4138E+00 -9.8088E+00  8.5673E+00
 -6.7215E+02  1.0304E+03  2.4026E+03
HC              16    1.008000    0.040000
 -4.5773E+00  1.3497E+01  5.9282E+00
 -8.3813E-01 -2.2948E+00 -2.5777E+00
 -1.1165E+03 -1.2721E+03  7.8108E+01
HC              17    1.008000    0.040000
 -3.5827E+00  1.2102E+01  5.4163E+00
  1.4633E+01  9.6595E+00 -5.0303E+00
 -3.1422E+02  1.2414E+03 -8.7936E+02
HC              18    1.008000    0.040000
 -2.8844E+00  1.3312E+01  6.4097E+00
  1.2679E+01 -2.6091E+01  1.5918E+01
 -6.5260E+02 -1.0795E+03  1.4330E+03
CT              19   12.011000    0.145000
  4.4127E+00 -1.6429E+01 -9.7952E+00
  2.9234E+00  9.0746E+00 -5.1871E-01
 -3.3770E+03  6.6151E+01 -3.1383E+02
OH              20    0.000000   -0.683000
  3.9588E+00 -1.6218E+01 -8.4771E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              21    1.008000    0.418000
  4.1980E+00 -1.5303E+01 -8.4846E+00
 -8.2783E-01  5.1582E-01 -2.0605E+01
  1.1948E+03 -1.3431E+03  5.7861E+03
HC              22    1.008000    0.040000
  5.4440E+00 -1.6077E+01 -9.7758E+00
  7.3131E+00 -3.2615E+00  1.9260E+01
 -3.0559E+02 -1.5162E+03 -1.0341E+03
HC              23    1.008000    0.040000
  3.7023E+00 -1.5872E+01 -1.0406E+01
 -1.1471E+01 -2.0482E+00  5.4807E+00
  1.6410E+03  1.4336E+02 -1.2757E+03
HC              24    1.008000    0.040000
  4.3073E+00 -1.7477E+01 -1.0074E+01
 -1.4919E+01  8.0506E+00  8.6200E+00
  4.8627E+02 -3.6132E+02  2.4339E+03
CT              25   12.011000    0.145000
 -1.0543E+01  4.1621E+00  1.7821E+00
 -1.4350E-01 -1.3448E+00 -7.9290E-02
 -2.4679E+02  1.6747E+03 -8.3245E+02
OH              26    0.000000   -0.683000
 -9.2756E+00  4.0642E+00  1.1715E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              27    1.008000    0.418000
 -8.5964E+00  3.8007E+00  1.7734E+00
  2.5075E+00  3.7576E+01  1.6427E+01
 -3.3924E+03  3.7681E+02  1.3031E+03
HC              28    1.008000    0.040000
 -1.0580E+01  5.1949E+00  2.1287E+00
 -1.6095E+01 -5.5373E-01 -3.3610E+00
 -2.3247E+03 -1.0396E+03  2.6582E+03
HC              29    1.008000    0.040000
 -1.0638E+01  3.3840E+00  2.5394E+00
 -3.4290E+00  6.3311E+00  7.5640E+00
 -1.2292E+03  1.1658E+03  7.4855E+02
HC              30    1.008000    0.040000
 -1.1212E+01  4.0208E+00  9.3309E-01
  9.8210E+00 -1.6390E+01 -5.8484E+00
 -1.7222E+03  5.1610E+01  1.8528E+03
CT              31   12.011000    0.145000
  9.1435E+00  2.1463E+00  4.0642E+00
  1.7032E+00 -3.1335E+00 -7.0712E+00
  2.9027E+03 -2.0083E+03 -4.8052E+03
OH              32    0.000000   -0.683000
  9.5811E+00  9.6684E-01  4.7011E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              33    1.008000    0.418000
  1.0492E+01  1.0042E+00  4.4509E+00
 -4.2676E+00  4.0108E+00 -1.6104E+01
 -1.9730E+02 -4.2255E+03  3.1421E+02
HC              34    1.008000    0.040000
  9.4181E+00  1.9768E+00  3.0230E+00
 -1.4146E+01 -2.7219E+01 -8.1293E+00
 -1.9865E+03 -5.1241E+02 -2.8700E+02
HC              35    1.008000    0.040000
  9.7325E+00  3.0328E+00  4.2996E+00
  9.2370E+00 -1.1175E+01  5.5595E+00
 -7.6825E+02 -5.9616E+02  3.1033E+03
HC              36    1.008000    0.040000
  8.0733E+00  2.3470E+00  4.1124E+00
  2.1857E+00 -3.3039E+00  1.1480E+01
  4.7479E+02 -5.2851E+02  7.3887E+02
CT              37   12.011000    0.145000
  1.6792E+01  1.6980E+01 -1.4018E-01
  7.2297E+00  6.1534E-01  1.9223E+00
  6.6520E+03  2.0036E+02 -3.1710E+02
OH              38    0.000000   -0.683000
  1.6803E+01  1.8300E+01 -6.3352E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              39    1.008000    0.418000
  1.6518E+01  1.8160E+01 -1.5234E+00
  2.4909E+01 -2.4168E+01 -5.5728E+00
 -7.3065E+02  2.2379E+03  1.6663E+03
HC              40    1.008000    0.040000
  1.7396E+01  1.7128E+01  7.5515E-01
 -8.5439E+00 -4.2484E+00  1.3827E+01
 -4.2426E+03 -2.9208E+03  3.7327E+03
HC              41    1.008000    0.040000
  1.7413E+01  1.6391E+01 -8.1566E-01
 -6.7101E+00  1.1592E+01 -2.1748E+01
 -2.8628E+03 -1.3552E+03 -9.4675E+02
HC              42    1.008000    0.040000
  1.5739E+01  1.6710E+01 -6.1966E-02
  4.9103E+00  1.3175E+01  2.0279E+01
  1.7291E+03 -2.1081E+03  2.7426E+03
CT              43   12.011000    0.145000
 -7.2344E+00 -5.1941E+00 -1.6968E+01
 -5.5598E+00  3.8872E+00 -7.1246E+00
 -2.6109E+03 -1.0103E+03  8.3254E+01
OH              44    0.000000   -0.683000
 -7.9268E+00 -4.4368E+00 -1.6000E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              45    1.008000    0.418000
 -8.7129E+00 -4.0653E+00 -1.6371E+01
 -1.4627E+00 -9.7548E+00 -7.0834E+00
  7.1627E+02 -6.1866E+02 -1.9169E+03
HC              46    1.008000    0.040000
 -6.7458E+00 -6.0556E+00 -1.6513E+01
  5.8946E+00  2.0768E-01 -2.5346E+01
  6.0456E+02  9.0459E+02 -1.3130E+01
HC              47    1.008000    0.040000
 -6.4409E+00 -4.7225E+00 -1.7547E+01
  1.0276E+00 -1.9653E+01 -1.8507E+01
 -1.1112E+03  7.7948E+02  1.0222E+03
HC              48    1.008000    0.040000
 -7.8673E+00 -5.7052E+00 -1.7693E+01
  9.7363E+00 -1.8969E+01 -5.4106E+00
 -3.3541E+02  1.1262E+03  4.7264E+02
CT              49   12.011000    0.145000
 -1.6349E+00 -5.1178E+00 -6.6195E-01
  1.9114E+00 -2.0660E+00  6.7998E+00
  1.0749E+03 -1.9110E+03  2.6989E+03
OH              50    0.000000   -0.683000
 -2.9833E-01 -5.2588E+00 -1.0885E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              51    1.008000    0.418000
  1.9204E-01 -5.3523E+00 -2.8608E-01
 -1.2974E+00 -1.9868E+01 -1.0269E+00
  1.8471E+03  1.9624E+03 -1.6217E+03
HC              52    1.008000    0.040000
 -1.8169E+00 -4.0959E+00 -3.2938E-01
 -3.1911E+01  5.1276E-01 -1.4777E+01
 -2.2366E+03 -1.9931E+03  4.6270E+02
HC              53    1.008000    0.040000
 -1.7000E+00 -5.8707E+00  1.2352E-01
  2.5633E+01 -1.9819E+01 -6.8946E+00
 -1.0330E+03  1.4971E+03  7.0440E+01
HC              54    1.008000    0.040000
 -2.3609E+00 -5.3841E+00 -1.4301E+00
  2.5537E+01 -1.1036E+01 -1.3804E+01
  1.9026E+03  1.5358E+03 -9.2780E+02
CT              55   12.011000    0.145000
 -1.6935E+01  1.3228E+01 -1.9357E+01
 -1.3923E+00  2.8498E+00  4.5143E-01
 -3.2330E+03  6.0372E+03  8.6529E+02
OH              56    0.000000   -0.683000
 -1.6727E+01  1.3541E+01  2.0184E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              57    1.008000    0.418000
 -1.6706E+01  1.2800E+01  1.9598E+01
  1.2184E+01  1.6580E+00 -1.9164E+00
 -7.3802E+02 -1.8787E+03  2.7737E+03
HC              58    1.008000    0.040000
 -1.7055E+01  1.4184E+01 -1.8848E+01
  1.2380E+01  6.8759E+00 -3.4420E+00
  1.4340E+03  4.6494E+02  2.8029E+02
HC              59    1.008000    0.040000
 -1.6103E+01  1.2728E+01 -1.8861E+01
 -1.4439E+01 -3.0952E+01 -8.8815E+00
 -3.2315E+03 -3.6028E+03 -5.6875E+02
HC              60    1.008000    0.040000
 -1.7957E+01  1.2853E+01 -1.9306E+01
  7.0324E+00 -2.0278E+01  1.6133E+01
  2.2551E+03 -5.6555E+03  3.3582E+03
CT              61   12.011000    0.145000
 -1.7878E+00  1.3391E+01 -9.5126E+00
 -5.4415E+00  4.0870E+00 -4.1506E+00
 -1.6364E+03 -1.6259E+03  2.9777E+03
OH              62    0.000000   -0.683000
 -1.6736E+00  1.4458E+01 -8.5971E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              63    1.008000    0.418000
 -2.3376E+00  1.5092E+01 -8.8193E+00
  5.2796E+00  7.8613E+00  6.1034E+00
 -1.7961E+03 -1.6227E+03  1.6057E+03
HC              64    1.008000    0.040000
 -2.6876E+00  1.2828E+01 -9.2659E+00
 -7.3332E+00  1.3155E+01  1.0940E+01
  5.9654E+02 -1.9972E+02  1.8318E+03
HC              65    1.008000    0.040000
 -9.6879E-01  1.2688E+01 -9.3640E+00
 -2.6554E+01 -2.0335E+01  4.0317E+00
 -9.1822E+02  2.8642E+02 -1.1431E+03
HC              66    1.008000    0.040000
 -1.9457E+00  1.3573E+01 -1.0576E+01
  1.4715E+01  1.2288E+00 -8.0371E+00
  2.6204E+03  2.4758E+03  5.4453E+02
CT              67   12.011000    0.145000
  1.1599E+01 -5.9505E-01 -6.0278E+00
  9.4433E-01  5.9439E+00 -1.5548E+00
 -1.2165E+03  7.0382E+02  3.5903E+03
OH              68    0.000000   -0.683000
  1.2884E+01 -6.5403E-01 -5.4485E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              69    1.008000    0.418000
  1.3138E+01 -1.4817E+00 -5.8273E+00
 -8.4356E+00  2.9497E+00 -1.2745E+01
  3.9705E+03  1.3431E+03  9.0204E+02
HC              70    1.008000    0.040000
  1.1451E+01 -5.4520E-01 -7.1065E+00
  1.1547E+01 -8.3161E-01 -3.4769E+00
  4.4677E+03 -6.5096E+02 -3.7095E+02
HC              71    1.008000    0.040000
  1.1027E+01  2.6243E-01 -5.6744E+00
  1.6593E+01  1.6125E+01  9.1437E-02
  5.3288E+02 -2.5708E+02  1.1807E+03
HC              72    1.008000    0.040000
  1.1028E+01 -1.4747E+00 -5.7313E+00
 -1.2597E+01  1.4427E+01 -1.6184E+00
  5.2729E+02  1.6803E+01  3.9818E+02
CT              73   12.011000    0.145000
 -4.9899E+00 -1.5999E+01  1.3658E+01
  4.6579E+00  8.0686E-01  1.6368E+00
  4.2987E+03 -4.1131E+03 -1.8681E+03
OH              74    0.000000   -0.683000
 -4.7172E+00 -1.5248E+01  1.2496E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              75    1.008000    0.418000
 -4.1472E+00 -1.5838E+01  1.2028E+01
  1.3574E+00  1.7882E+00 -6.1304E-01
  1.5113E+03  2.7645E+03 -1.6465E+03
HC              76    1.008000    0.040000
 -3.9835E+00 -1.6237E+01  1.4003E+01
  4.8726E+00 -3.6297E+00 -1.9496E+00
 -4.6794E+02  2.3698E+02  2.3862E+03
HC              77    1.008000    0.040000
 -5.3375E+00 -1.6964E+01  1.3287E+01
  8.9515E+00 -1.2699E+00  2.9456E+00
 -1.8116E+03 -1.2330E+02  1.4919E+03
HC              78    1.008000    0.040000
 -5.5851E+00 -1.5597E+01  1.4478E+01
  8.8449E+00  2.4737E+00  3.8901E+00
 -2.6768E+02  1.0384E+03 -1.3464E+03
CT              79   12.011000    0.145000
 -8.0538E+00 -3.8822E+00  9.5110E+00
 -3.6335E-01 -4.9705E-01  7.0779E+00
 -1.8820E+03  5.2038E+02  3.6897E+03
OH              80    0.000000   -0.683000
 -8.8870E+00 -5.0123E+00  9.3818E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              81    1.008000    0.418000
 -8.3222E+00 -5.7506E+00  9.2114E+00
 -4.7886E+00 -4.6103E+00  3.7582E+00
 -1.4699E+03 -1.8356E+03  2.9667E+03
HC              82    1.008000    0.040000
 -7.3358E+00 -4.1051E+00  1.0300E+01
  4.4238E+00  2.9655E+00  3.7591E+00
  1.8120E+02  1.3832E+03  3.4707E+02
HC              83    1.008000    0.040000
 -8.7298E+00 -3.0690E+00  9.7751E+00
  6.0511E+00  1.6104E+01 -2.2999E+01
  2.2380E+03  9.8987E+02 -3.9386E+02
HC              84    1.008000    0.040000
 -7.4875E+00 -3.5730E+00  8.6325E+00
 -5.7076E+00 -7.8035E+00  9.2554E-01
 -1.2848E+03 -1.0487E+03 -7.4899E+02
CT              85   12.011000    0.145000
 -1.4050E+01 -1.4395E+01  1.9123E+01
  2.7234E+00  1.3651E+00  2.0798E+00
 -4.4479E+03 -1.2269E+02 -9.1941E+02
OH              86    0.000000   -0.683000
 -1.3953E+01 -1.3285E+01  1.8260E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              87    1.008000    0.418000
 -1.3825E+01 -1.2601E+01  1.8899E+01
 -1.5429E+01  6.7189E+00 -3.6474E+00
 -2.0971E+03  4.0937E+03 -4.0737E+03
HC              88    1.008000    0.040000
 -1.5025E+01 -1.4395E+01  1.9610E+01
  1.1096E+01  1.8064E+01  2.0205E+01
 -1.7422E+02  7.9335E+02 -1.1181E+03
HC              89    1.008000    0.040000
 -1.3519E+01 -1.4442E+01  2.0074E+01
  2.5326E+00 -8.9064E+00  1.7921E+00
  3.7024E+03  1.1812E+03 -2.5068E+03
HC              90    1.008000    0.040000
 -1.3975E+01 -1.5336E+01  1.8578E+01
  3.7637E+00  1.8247E+00  1.4263E+00
  1.3463E+03 -9.4485E+01  3.1023E+02
CT              91   12.011000    0.145000
  1.2472E+01 -1.3082E+01 -5.6139E+00
  7.5462E-01  6.3861E-01 -1.0537E+00
 -3.0643E+03 -1.7665E+02  1.4700E+03
OH              92    0.000000   -0.683000
  1.2822E+01 -1.2040E+01 -4.7301E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              93    1.008000    0.418000
  1.2041E+01 -1.1919E+01 -4.2119E+00
 -1.4447E+00 -1.6220E+01  2.1546E+00
  5.2460E+02 -7.8747E+02  5.4846E+02
HC              94    1.008000    0.040000
  1.3280E+01 -1.3208E+01 -6.3347E+00
 -5.7240E+00  1.1748E+01 -1.0612E+01
 -1.4701E+03 -1.7851E+03 -5.2296E+02
HC              95    1.008000    0.040000
  1.1533E+01 -1.2819E+01 -6.0994E+00
  7.4551E+00  6.1508E+00 -1.1422E+01
  1.4057E+03  1.3770E+03 -2.2814E+03
HC              96    1.008000    0.040000
  1.2179E+01 -1.3980E+01 -5.0700E+00
  1.4259E+01 -5.6087E+00 -3.6545E+00
  3.2072E+03 -1.0843E+03  1.5062E+02
CT              97   12.011000    0.145000
 -1.7679E+01  1.1147E+01  1.0130E+01
  3.2501E+00 -2.5933E+00 -2.9350E+00
 -2.4043E+03 -4.1844E+03 -6.8249E+02
OH              98    0.000000   -0.683000
 -1.8332E+01  1.1639E+01  8.9814E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              99    1.008000    0.418000
 -1.8014E+01  1.2526E+01  8.9096E+00
  2.2070E+01 -7.4183E+00 -1.4151E+00
 -1.5207E+03 -3.3245E+02 -1.4685E+03
HC             100    1.008000    0.040000
 -1.8008E+01  1.1614E+01  1.1058E+01
  1.3587E+01 -5.3089E+00  2.2450E+00
  1.4354E+03  1.3842E+03 -4.7420E+02
HC             101    1.008000    0.040000
 -1.6595E+01  1.1060E+01  1.0055E+01
  1.7729E+00 -2.6014E+01 -4.4743E+00
 -7.1515E+02  9.8371E+02  1.0017E+02
HC             102    1.008000    0.040000
 -1.8060E+01  1.0129E+01  1.0211E+01
 -5.1798E+00  8.0925E-01  1.4063E+00
  1.1891E+03 -6.5741E+02  8.7729E+02
CT             103   12.011000    0.145000
 -1.0266E+01 -1.1331E+01 -9.6953E-01
 -7.1014E-01 -3.4268E-01  9.8799E-01
 -2.6677E+03 -5.6318E+02  5.1556E+03
OH             104    0.000000   -0.683000
 -1.1287E+01 -1.0462E+01 -1.4040E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             105    1.008000    0.418000
 -1.2137E+01 -1.0663E+01 -1.0421E+00
  1.5033E+00 -1.7558E+01 -5.3035E+00
  1.9245E+03 -7.3375E+01  3.3061E+03
HC             106    1.008000    0.040000
 -9.4522E+00 -1.1522E+01 -1.6694E+00
 -3.9746E+00 -1.8996E-01 -2.8854E+00
 -3.4519E+02  1.5426E+03 -1.1314E+02
HC             107    1.008000    0.040000
 -1.0661E+01 -1.2296E+01 -6.5386E-01
  1.0941E+01 -3.8004E+00  5.5543E+00
 -4.4368E+02 -1.5178E+02 -8.1060E+02
HC             108    1.008000    0.040000
 -9.9118E+00 -1.0906E+01 -3.0381E-02
  9.2630E+00 -2.2913E+01  8.1537E+00
  2.1648E+03 -1.1091E+03 -5.3762E+02
CT             109   12.011000    0.145000
  2.2988E+00 -9.2477E+00  1.6332E+01
  1.5911E-02  5.5993E+00 -8.2991E+00
 -2.7765E+03  6.3843E+03  1.5311E+03
OH             110    0.000000   -0.683000
  9.5353E-01 -9.6021E+00  1.6103E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             111    1.008000    0.418000
  8.1834E-01 -9.3534E+00  1.5201E+01
  1.5849E+01 -3.6627E+00 -3.6960E+00
  1.0068E+03 -7.4657E+02 -1.2764E+02
HC             112    1.008000    0.040000
  2.2579E+00 -8.2103E+00  1.6000E+01
  4.0345E+00  2.1862E+00 -1.9945E+01
  3.7490E+03 -3.9527E+02 -3.3168E+03
HC             113    1.008000    0.040000
  3.0470E+00 -9.8788E+00  1.5853E+01
  4.2374E+00 -4.6743E+00  1.0797E+01
  9.7015E+01  1.2557E+03  6.8659E+02
HC             114    1.008000    0.040000
  2.4702E+00 -9.0523E+00  1.7391E+01
 -9.9121E-01 -6.1696E+00 -5.8271E+00
  1.4356E+03 -4.2578E+03  7.6765E+02
CT             115   12.011000    0.145000
 -8.4980E-02 -1.9904E+01  9.9274E+00
 -2.1747E-01  1.4077E-01 -1.1914E+00
 -2.5089E+03 -5.2107E+03 -6.6547E+03
OH             116    0.000000   -0.683000
  1.2656E+00 -2.0197E+01  9.6475E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             117    1.008000    0.418000
  1.2396E+00  1.9929E+01  9.1067E+00
 -4.6018E+00  3.5439E-01 -3.2624E-01
  3.8010E+02 -5.9321E+02  8.9241E+02
HC             118    1.008000    0.040000
 -5.0042E-01  1.9995E+01  1.0039E+01
  2.7595E+01 -1.0919E+01  1.2825E+01
 -1.2310E+02  6.6700E+02 -5.6126E+02
HC             119    1.008000    0.040000
 -5.5766E-01 -1.9525E+01  9.0213E+00
 -4.2841E+01 -2.8917E+01  5.8925E+00
 -9.4669E+02  2.8487E+02  3.0162E+03
HC             120    1.008000    0.040000
 -4.4812E-01 -1.9450E+01  1.0849E+01
  6.4616E+00 -1.4732E+01  9.1662E+00
  3.6603E+03  2.3213E+03 -9.3136E+02
CT             121   12.011000    0.145000
  7.5216E+00 -1.6378E+01 -7.2567E+00
  5.6669E+00 -1.9949E+00 -1.0399E+00
  1.6502E+03 -2.7649E+03 -3.3321E+03
OH             122    0.000000   -0.683000
  7.7262E+00 -1.5310E+01 -8.1545E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             123    1.008000    0.418000
  6.9475E+00 -1.4789E+01 -8.0326E+00
 -6.4359E+00 -4.7823E+00 -1.7600E+01
  7.1458E+02  5.6589E+02 -7.6650E+02
HC             124    1.008000    0.040000
  8.1331E+00 -1.7201E+01 -7.6278E+00
 -2.4278E+01 -2.1051E+01 -1.1859E+01
 -1.3722E+03 -5.6881E+02  1.3815E+03
HC             125    1.008000    0.040000
  6.4944E+00 -1.6731E+01 -7.3478E+00
 -2.8843E-01  1.6471E+01 -1.0564E+01
  3.6970E+02  3.3390E+02 -3.1764E+02
HC             126    1.008000    0.040000
  7.7396E+00 -1.6232E+01 -6.1988E+00
  1.1265E+01  3.2926E+00 -2.8649E+00
  3.3885E+02  2.4677E+03 -7.0664E+02
CT             127   12.011000    0.145000
  2.0482E+00  9.7159E+00  1.0018E+01
  8.3392E-01 -3.7736E-01 -7.6288E-01
 -3.0811E+03  9.7966E+02 -3.6169E+03
OH             128    0.000000   -0.683000
  1.5292E+00  8.4074E+00  1.0100E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             129    1.008000    0.418000
  1.0685E+00  8.4587E+00  1.0923E+01
 -1.3848E+01 -1.4556E+01 -6.3032E+00
 -1.1806E+03 -4.6638E+03 -5.4345E+02
HC             130    1.008000    0.040000
  2.8767E+00  9.9051E+00  1.0701E+01
  3.4976E+00 -2.3535E+01  3.2429E+00
 -2.7698E+02 -2.2773E+03 -1.4584E+02
HC             131    1.008000    0.040000
  1.1626E+00  1.0227E+01  1.0396E+01
  1.3803E+01  1.4986E+01  1.0246E+01
  1.8133E+03  4.0685E+03 -1.5646E+03
HC             132    1.008000    0.040000
  2.2455E+00  9.9984E+00  8.9841E+00
 -1.6986E+01  3.8458E+01  4.6553E+00
 -1.9912E+02  8.8446E+02  1.5871E+03
CT             133   12.011000    0.145000
 -1.9175E+01  5.7547E-01 -1.4350E+01
 -2.2400E-01 -1.2307E+00  9.7892E-01
 -4.1125E+02 -3.2347E+03  3.4676E+02
OH             134    0.000000   -0.683000
  2.0330E+01  7.3558E-01 -1.4471E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             135    1.008000    0.418000
  1.9932E+01 -6.6447E-02 -1.4774E+01
  2.9902E+01 -2.0378E+01  1.0064E+01
  4.8569E+03 -1.5066E+03  1.3839E+02
HC             136    1.008000    0.040000
 -1.8623E+01  5.2425E-01 -1.5289E+01
  1.0900E+01 -1.6449E+01  7.9231E+00
 -1.4181E+03 -1.9688E+02 -2.7186E+02
HC             137    1.008000    0.040000
 -1.8976E+01 -3.6751E-01 -1.3841E+01
 -1.5568E+01 -2.2863E+00  5.5081E+00
 -4.6479E+02 -1.8643E+02 -1.0904E+02
HC             138    1.008000    0.040000
 -1.8661E+01  1.3350E+00 -1.3761E+01
  1.1698E+00 -4.5232E+00  4.0445E+00
 -1.8125E+03  7.5125E+02  1.7165E+02
CT             139   12.011000    0.145000
 -9.7559E+00  1.7625E+00 -1.8681E+01
  4.3972E-02 -2.2763E+00  6.6392E+00
  3.9525E+02 -1.7431E+02 -1.3047E+03
OH             140    0.000000   -0.683000
 -8.3486E+00  1.6877E+00 -1.8723E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             141    1.008000    0.418000
 -8.0709E+00  1.3606E+00 -1.9565E+01
 -3.9270E+00  2.3205E+01 -1.1115E+01
 -1.2980E+03  4.1452E+02  1.6495E+02
HC             142    1.008000    0.040000
 -1.0153E+01  2.3876E+00 -1.7881E+01
 -1.8107E+01  4.4127E+00 -6.9125E+00
  7.5159E+02 -1.0280E+03  2.1167E+02
HC             143    1.008000    0.040000
 -1.0189E+01  7.6216E-01 -1.8672E+01
  1.0090E+01 -7.2752E+00 -1.2318E+01
  5.7657E+02  2.8067E+02  5.5029E+02
HC             144    1.008000    0.040000
 -1.0244E+01  2.2294E+00 -1.9537E+01
 -6.8723E+00  1.5005E+01  1.9415E+01
  2.8536E+03  1.2736E+03 -3.8742E+02
CT             145   12.011000    0.145000
 -1.2136E+01  1.9214E+01 -1.8994E+01
  2.4663E+00  2.6520E-01 -1.2065E+00
  1.9658E+03  2.0277E+03 -6.7724E+02
OH             146    0.000000   -0.683000
 -1.1509E+01  1.9058E+01 -1.7741E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             147    1.008000    0.418000
 -1.0858E+01  1.8382E+01 -1.7850E+01
 -1.3430E+01 -1.0772E+01 -1.9704E+01
 -2.7075E+02  9.0710E+02 -2.1287E+03
HC             148    1.008000    0.040000
 -1.2230E+01  1.8233E+01 -1.9460E+01
  6.8304E+00 -6.0689E+00  1.0828E+01
 -2.9289E+03  2.6448E+02  8.7837E+02
HC             149    1.008000    0.040000
 -1.1626E+01  1.9763E+01 -1.9786E+01
  1.1822E+01 -2.9829E+01 -1.7631E+01
  2.7677E+03 -9.3102E+02  2.4147E+03
HC             150    1.008000    0.040000
 -1.3036E+01  1.9814E+01 -1.8856E+01
  3.0671E+00  7.5595E-01  6.0211E-01
 -1.8482E+03 -2.9481E+03  6.8286E+01
CT             151   12.011000    0.145000
  1.4325E+01  8.7545E+00 -1.8036E+01
 -2.9082E-01 -3.1574E+00  2.2659E+00
  4.7579E+03 -2.2716E+03 -2.7361E+02
OH             152    0.000000   -0.683000
  1.3932E+01  7.9924E+00 -1.9155E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             153    1.008000    0.418000
  1.3104E+01  8.3586E+00 -1.9428E+01
 -3.1985E+00 -1.0293E+01 -4.6194E+00
  8.4771E+02  6.0053E+02 -1.1885E+03
HC             154    1.008000    0.040000
  1.3469E+01  9.1855E+00 -1.7517E+01
 -7.7112E+00  5.2169E+00 -1.6052E+01
  4.1564E+02  2.5649E+02 -1.0892E+03
HC             155    1.008000    0.040000
  1.5060E+01  9.5242E+00 -1.8270E+01
 -2.5229E+01  2.0283E+01 -4.2124E+00
 -3.3652E+03  1.9921E+03 -1.9547E+03
HC             156    1.008000    0.040000
  1.4908E+01  8.1437E+00 -1.7347E+01
 -2.0361E+01 -2.0260E+01  5.1151E+00
 -2.4874E+03 -1.8297E+03  4.1277E+02
CT             157   12.011000    0.145000
 -1.9188E+01 -1.8613E+01 -2.9704E+00
  1.2325E+00 -7.6775E+00  4.0054E+00
  3.0510E+02 -5.2511E+03  3.4278E+03
OH             158    0.000000   -0.683000
  2.0318E+01 -1.8820E+01 -2.9562E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             159    1.008000    0.418000
  1.9933E+01 -1.8751E+01 -2.0958E+00
 -2.1998E+01  2.2656E+01 -1.0359E+01
  2.1831E+03  3.2304E+02 -5.1956E+02
HC             160    1.008000    0.040000
 -1.8798E+01 -1.8603E+01 -3.9884E+00
  1.7027E+01 -5.3821E+00  9.7907E+00
  3.0671E+02  2.0088E+03  6.6872E+02
HC             161    1.008000    0.040000
 -1.8642E+01 -1.9461E+01 -2.5547E+00
  4.1418E+01  7.3896E+00 -1.2889E+01
 -1.3915E+02  1.4217E+03 -5.3725E+02
HC             162    1.008000    0.040000
 -1.8882E+01 -1.7764E+01 -2.3591E+00
 -3.1918E+00  7.2979E-01 -5.1733E+00
 -5.6554E+01  1.1685E+03 -1.9913E+03
CT             163   12.011000    0.145000
 -1.5866E+01 -2.0170E+01 -1.7080E+01
 -4.0386E+00  8.9393E-01 -2.7451E-01
  2.8103E+03 -5.8808E+02  2.6705E+03
OH             164    0.000000   -0.683000
 -1.5562E+01 -1.8796E+01 -1.6999E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             165    1.008000    0.418000
 -1.5298E+01 -1.8573E+01 -1.6120E+01
  7.3775E+00 -6.8721E+00 -3.6022E-01
  2.0163E+02 -2.0317E+03  3.9747E+02
HC             166    1.008000    0.040000
 -1.6660E+01  2.0396E+01 -1.6413E+01
 -1.2949E+01  1.3356E+01 -4.2851E+00
 -1.4951E+03  3.3031E+03 -2.3053E+02
HC             167    1.008000    0.040000
 -1.5066E+01  2.0098E+01 -1.6693E+01
  9.1710E+00  2.5198E+01  1.4637E+01
  2.2166E+03  2.7458E+03 -1.1930E+03
HC             168    1.008000    0.040000
 -1.6125E+01  2.0370E+01 -1.8076E+01
 -1.7658E+01 -1.2036E+01  7.5328E+00
 -1.0034E+02  1.2121E+03  3.2180E+02
CT             169   12.011000    0.145000
 -7.2582E+00  1.4746E+01  2.2373E+00
  1.7259E+00 -4.0446E-01 -3.4282E+00
  2.9286E+03 -1.3926E+03 -3.4728E+03
OH             170    0.000000   -0.683000
 -6.3232E+00  1.5739E+01  2.5953E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             171    1.008000    0.418000
 -6.8848E+00  1.6419E+01  2.9337E+00
 -1.1410E+01  9.2902E-01 -1.9310E+01
  1.3263E+03 -1.4864E+02  6.5616E+02
HC             172    1.008000    0.040000
 -7.4761E+00  1.4027E+01  3.0271E+00
 -9.5225E+00 -5.1261E+00 -1.0576E+01
  8.1161E+02  1.9916E+02 -1.4881E+02
HC             173    1.008000    0.040000
 -6.5767E+00  1.4363E+01  1.4779E+00
  8.3032E+00  2.8444E+00  7.4184E-01
 -2.8387E+03 -4.5618E+03 -4.5933E+02
HC             174    1.008000    0.040000
 -8.2032E+00  1.5044E+01  1.7832E+00
 -1.0529E+01 -2.3340E+01  5.3431E+00
  8.2688E+02  4.8261E+02  6.8049E+02
CT             175   12.011000    0.145000
 -3.0134E+00  7.2886E+00  1.6842E+01
 -3.8651E+00 -5.8730E-01  7.1487E-02
  9.3446E+02  1.0934E+03  2.0219E+03
OH             176    0.000000   -0.683000
 -3.2162E+00  8.5876E+00  1.6333E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             177    1.008000    0.418000
 -3.1990E+00  9.1256E+00  1.7110E+01
  3.2396E+00 -2.0729E+01  1.5148E+01
  1.3954E+03 -3.8898E+02 -6.1990E+02
HC             178    1.008000    0.040000
 -1.9614E+00  7.2770E+00  1.7128E+01
 -4.3519E+00 -1.2576E+00  1.8521E+00
  1.7027E+02 -1.6992E+03 -2.7415E+02
HC             179    1.008000    0.040000
 -3.2598E+00  6.4483E+00  1.6193E+01
 -4.9311E+00 -3.0244E-01  1.0539E-01
  1.3227E+03  1.6050E+03 -2.2247E+03
HC             180    1.008000    0.040000
 -3.5458E+00  6.9656E+00  1.7737E+01
  1.5136E+00 -2.5944E+01 -5.1029E+00
 -4.6097E+02  2.9559E+03 -2.5131E+02
CT             181   12.011000    0.145000
  1.0793E+01  1.8600E+01 -3.5447E+00
 -2.4904E+00 -1.7320E+00 -2.9090E+00
  4.3739E+03 -6.0443E+02  3.4740E+03
OH             182    0.000000   -0.683000
  9.9771E+00  1.8069E+01 -2.5243E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             183    1.008000    0.418000
  1.0519E+01  1.7734E+01 -1.8268E+00
  9.8869E+00  5.2430E-01 -7.2184E+00
 -1.0565E+02  3.2410E+02  1.5147E+01
HC             184    1.008000    0.040000
  1.1490E+01  1.7793E+01 -3.7721E+00
 -1.2065E+00 -3.8334E+00  7.9339E+00
  6.4784E+02  1.0167E+03 -1.6418E+03
HC             185    1.008000    0.040000
  1.1370E+01  1.9425E+01 -3.1281E+00
  6.1969E+00 -3.3527E+00 -1.1381E+01
  1.1198E+03 -9.3101E+02  6.6803E+02
HC             186    1.008000    0.040000
  1.0318E+01  1.9018E+01 -4.4319E+00
 -9.4168E+00 -1.1103E+01 -3.7701E+00
 -2.2053E+03 -2.5921E+03  4.6900E+02
CT             187   12.011000    0.145000
  1.0669E+01 -8.4282E+00  6.1791E+00
 -5.4036E+00  2.7698E+00  2.7818E+00
 -1.8666E+02  9.8279E+01 -8.3742E+02
OH             188    0.000000   -0.683000
  1.1016E+01 -7.1890E+00  5.6026E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             189    1.008000    0.418000
  1.0237E+01 -6.8685E+00  5.1731E+00
 -8.6696E+00 -1.0410E+01  7.3905E+00
 -1.3245E+03 -3.1954E+03  1.9974E+02
HC             190    1.008000    0.040000
  1.0021E+01 -8.3446E+00  7.0517E+00
 -5.4540E+00 -9.4688E+00  4.0904E+00
  3.0619E+02  4.6573E+02 -7.6597E+01
HC             191    1.008000    0.040000
  1.1566E+01 -8.9910E+00  6.4372E+00
 -8.0621E+00 -8.8085E+00 -1.1853E+01
 -3.8630E+02  5.4742E+02  7.3439E+02
HC             192    1.008000    0.040000
  1.0141E+01 -9.0791E+00  5.4822E+00
 -7.0428E+00  5.5731E+00  1.3869E+00
 -3.2271E+01  7.7392E+02 -7.6986E+02
CT             193   12.011000    0.145000
 -1.1996E+01 -5.4936E-01  1.9749E+01
  1.5554E+00  1.6991E+00 -8.0257E+00
 -1.5377E+02  4.9321E+02  5.8447E+02
OH             194    0.000000   -0.683000
 -1.1976E+01  8.2734E-01  2.0053E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             195    1.008000    0.418000
 -1.2113E+01  1.3237E+00  1.9260E+01
  2.0107E+01  2.7522E+00 -2.2823E+00
  8.4120E+02 -1.9789E+03 -9.0954E+02
HC             196    1.008000    0.040000
 -1.2200E+01 -1.0911E+00 -2.0228E+01
 -8.9533E+00  1.1339E+01 -4.4569E+00
  1.3871E+03  7.2739E+01  7.4515E+01
HC             197    1.008000    0.040000
 -1.1024E+01 -8.3427E-01  1.9347E+01
  5.7864E+00 -2.1443E+00  4.4632E+00
 -5.4369E+02 -9.5106E+02 -5.4830E+01
HC             198    1.008000    0.040000
 -1.2808E+01 -8.6107E-01  1.9092E+01
 -3.5422E+00 -2.5095E-01 -9.1688E-01
  2.3115E+02  1.3120E+03 -6.7219E+02
CT             199   12.011000    0.145000
  1.8549E+01  1.3099E+01 -1.9418E+01
 -5.7224E-01 -2.4972E-01  2.1408E+00
  1.1839E+03 -5.5940E+02 -3.0567E+03
OH             200    0.000000   -0.683000
  1.9836E+01  1.3524E+01 -1.9027E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             201    1.008000    0.418000
  1.9872E+01  1.4430E+01 -1.9292E+01
  2.3267E+01  5.5973E+00  1.8823E+01
  3.0184E+03 -3.0734E+02  1.5087E+03
HC             202    1.008000    0.040000
  1.8287E+01  1.2130E+01 -1.8995E+01
 -9.5412E+00  3.3154E+00  4.9825E+00
 -7.6013E+02  7.4142E+02  8.9257E+02
HC             203    1.008000    0.040000
  1.8638E+01  1.2973E+01  2.0403E+01
  3.9934E+00 -1.7037E+00  2.6640E+00
 -1.6525E+03  4.0454E+02 -3.9302E+02
HC             204    1.008000    0.040000
  1.7904E+01  1.3951E+01 -1.9202E+01
  9.3425E+00  7.7321E+00  1.0369E+00
 -1.5867E+03 -1.8726E+03  4.8640E+02
CT             205   12.011000    0.145000
 -1.9074E+01 -3.1455E+00 -1.0990E+01
  4.6540E+00 -7.0232E-01  6.1805E-01
 -4.8109E+03  1.4667E+03  3.7960E+02
OH             206    0.000000   -0.683000
 -1.9355E+01 -4.0802E+00 -9.9725E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             207    1.008000    0.418000
 -2.0197E+01 -3.9030E+00 -9.5812E+00
 -2.8655E+01 -4.8079E+01 -2.9618E+01
  4.5831E+03  9.3200E+02 -2.1687E+03
HC             208    1.008000    0.040000
 -1.8089E+01 -2.6794E+00 -1.0993E+01
  6.2908E+00 -4.1225E+00 -3.4621E+00
  4.8510E+02 -1.7944E+03  6.9840E+02
HC             209    1.008000    0.040000
 -1.9759E+01 -2.2983E+00 -1.0946E+01
 -4.0439E+00 -6.9921E+00 -8.8250E+00
 -3.5901E+02 -3.0965E+02  2.3362E+03
HC             210    1.008000    0.040000
 -1.9373E+01 -3.4267E+00 -1.2000E+01
 -3.1286E+00  2.5271E+01 -5.0703E+00
  2.1336E+03 -1.3191E+03  7.0692E+02
CT             211   12.011000    0.145000
  1.5656E+01  2.5014E+00 -1.3663E+01
  1.4344E+00  6.2906E+00  5.6533E+00
  2.6747E+03 -2.9307E+03 -1.0713E+03
OH             212    0.000000   -0.683000
  1.5443E+01  1.5903E+00 -1.2608E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             213    1.008000    0.418000
  1.6245E+01  1.0952E+00 -1.2541E+01
 -5.4138E+00 -8.2839E+00  5.5388E+00
  2.6574E+00  4.0394E+02  1.1645E+03
HC             214    1.008000    0.040000
  1.4769E+01  3.1074E+00 -1.3844E+01
 -9.4590E+00 -1.0180E+01  1.6944E+00
  2.4192E+03  2.2191E+03  1.3478E+03
HC             215    1.008000    0.040000
  1.5826E+01  1.9104E+00 -1.4562E+01
  3.5173E+00  1.4562E+01  5.0495E-01
  1.2366E+03  9.8067E+02 -6.5396E+02
HC             216    1.008000    0.040000
  1.6609E+01  2.8904E+00 -1.3302E+01
  6.1666E+00  1.0027E+00 -8.9114E-01
 -8.3599E+02  4.6285E+03 -3.1226E+03
CT             217   12.011000    0.145000
  1.1955E+01  2.5305E+00 -4.0189E+00
  1.0363E+01 -3.2368E-01 -4.2480E+00
  4.6009E+01 -2.6839E+03 -3.2449E+03
OH             218    0.000000   -0.683000
  1.2149E+01  1.2690E+00 -3.4197E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             219    1.008000    0.418000
  1.2528E+01  6.6417E-01 -4.0388E+00
  3.0209E+01  2.6707E+01 -1.0376E+01
 -5.3301E+02  3.2951E+03 -1.2306E+03
HC             220    1.008000    0.040000
  1.2774E+01  3.2306E+00 -3.8548E+00
  1.3312E+01 -5.8246E+00  5.2921E+00
 -7.6076E+02  2.2423E+02  9.7612E+02
HC             221    1.008000    0.040000
  1.1006E+01  2.7520E+00 -3.5304E+00
  1.1740E+01  6.1167E+00 -4.4037E+00
 -2.8065E+02  3.9740E+03 -2.6932E+03
HC             222    1.008000    0.040000
  1.1946E+01  2.1509E+00 -5.0406E+00
  9.3445E+00 -9.2289E+00 -1.0206E+00
 -2.5094E+03  4.2380E+03 -1.6032E+03
CT             223   12.011000    0.145000
 -1.3404E+01 -1.6158E+01  1.5611E+01
  5.7929E-02  4.2909E+00  2.5912E+00
 -7.3649E+02  3.1649E+03  1.9947E+03
OH             224    0.000000   -0.683000
 -1.3845E+01 -1.5465E+01  1.4464E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             225    1.008000    0.418000
 -1.4272E+01 -1.4667E+01  1.4734E+01
 -2.4483E+00 -3.5021E+00  6.7174E+00
 -3.4013E+02 -1.4112E+03  3.7369E+03
HC             226    1.008000    0.040000
 -1.2724E+01 -1.7004E+01  1.5512E+01
 -4.5720E+00  2.1257E+00 -1.3871E+01
 -1.9787E+03 -8.1944E+02 -2.9977E+03
HC             227    1.008000    0.040000
 -1.4400E+01 -1.6451E+01  1.5942E+01
  2.7898E+00  4.3590E-01  7.5338E+00
  2.0094E+03 -1.4880E+03  4.9560E+03
HC             228    1.008000    0.040000
 -1.2827E+01 -1.5480E+01  1.6239E+01
  1.7014E+01 -1.4097E+01  7.8819E+00
 -2.5070E+03 -2.1700E+01  1.4639E+03
CT             229   12.011000    0.145000
 -1.5857E+01 -1.2870E+01 -9.7453E+00
  5.9182E+00 -2.5955E-01  3.7923E+00
  1.8092E+03 -1.1680E+03  2.9558E+03
OH             230    0.000000   -0.683000
 -1.6385E+01 -1.1901E+01 -8.8675E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             231    1.008000    0.418000
 -1.6272E+01 -1.2262E+01 -8.0013E+00
 -1.5188E+01 -6.1802E+00 -2.7566E-01
  8.3657E+02  1.2258E+03 -1.0574E+01
HC             232    1.008000    0.040000
 -1.6198E+01 -1.3857E+01 -9.4350E+00
  4.6198E-01 -6.6676E+00 -2.0480E+01
  3.1462E+01  5.6318E+02  7.9828E+01
HC             233    1.008000    0.040000
 -1.4777E+01 -1.2866E+01 -9.6001E+00
  9.3471E+00 -1.5882E+01 -1.6646E+01
 -1.1418E+01 -9.1536E+02 -1.7780E+03
HC             234    1.008000    0.040000
 -1.6117E+01 -1.2767E+01 -1.0799E+01
 -2.5069E+01  5.4773E+01  1.2951E+01
 -1.8532E+02  3.6603E+03  3.6983E+03
CT             235   12.011000    0.145000
  5.6112E+00 -1.1570E+01  1.4093E+01
  3.1179E+00 -2.7881E-01 -3.6393E+00
  7.4432E+02 -2.8988E+03  9.5793E+02
OH             236    0.000000   -0.683000
  6.6399E+00 -1.1120E+01  1.4947E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             237    1.008000    0.418000
  6.5010E+00 -1.0188E+01  1.5016E+01
 -1.0594E+01 -1.1634E+00 -3.7102E+00
 -3.3167E+02 -1.1921E+02 -5.8323E+02
HC             238    1.008000    0.040000
  5.7146E+00 -1.1518E+01  1.3010E+01
 -1.6756E+01  2.1653E+01 -5.2827E+00
 -1.4907E+00  5.5284E+03  7.6505E+02
HC             239    1.008000    0.040000
  4.7546E+00 -1.1063E+01  1.4538E+01
  1.1672E+01  1.1090E+01  3.7572E-01
 -1.9480E+03 -1.0353E+03 -3.8550E+03
HC             240    1.008000    0.040000
  5.4979E+00 -1.2650E+01  1.4188E+01
 -1.4769E+00  1.9233E+00  2.5215E+01
 -2.0255E+03  6.9628E+02  3.6964E+03
CT             241   12.011000    0.145000
  5.5882E+00 -7.1344E+00 -9.6399E+00
 -1.0159E+00 -9.6086E-01 -3.3645E-01
  2.9535E+03  7.0713E+02  3.1494E+03
OH             242    0.000000   -0.683000
  6.5422E+00 -7.8924E+00 -1.0349E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             243    1.008000    0.418000
  7.4706E+00 -7.8157E+00 -1.0191E+01
 -2.6673E+00  5.6964E+00  1.4390E+01
 -1.6107E+03  6.1874E+03  7.3301E+03
HC             244    1.008000    0.040000
  5.9325E+00 -6.1025E+00 -9.7095E+00
  5.1993E+00 -3.0195E+00 -7.3161E-01
 -2.5322E+03  8.5095E+02  1.9510E+02
HC             245    1.008000    0.040000
  5.5962E+00 -7.4367E+00 -8.5927E+00
  1.2227E+01  5.1861E+00  1.5433E+00
  3.2350E+02  1.2858E+02  7.9165E+01
HC             246    1.008000    0.040000
  4.5669E+00 -7.3373E+00 -9.9623E+00
 -5.5257E+00 -2.1852E+00  1.4015E+01
  2.6358E+02  2.9603E+03 -6.3756E+02
CT             247   12.011000    0.145000
 -2.0090E+01  1.4583E+01 -6.0806E-01
 -3.9096E+00  1.5096E+00  3.6044E+00
  2.2354E+03  1.1024E+02 -4.5876E+03
OH             248    0.000000   -0.683000
 -1.9372E+01  1.5765E+01 -3.3254E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             249    1.008000    0.418000
 -1.9739E+01  1.6230E+01  4.0402E-01
 -2.7814E+01  1.3463E+01 -2.0479E+01
 -7.6261E+02 -2.8548E+03 -5.1851E+02
HC             250    1.008000    0.040000
  1.9735E+01  1.4626E+01 -7.8060E-01
  1.5679E+00 -4.6637E-01 -4.4805E+01
  2.4505E+03  1.2257E+03  1.7753E+02
HC             251    1.008000    0.040000
 -1.9726E+01  1.3623E+01 -2.4335E-01
  1.3912E+01  7.9948E+00  3.8564E+00
 -3.3813E+02  1.8533E+03  3.9215E+03
HC             252    1.008000    0.040000
 -1.9635E+01  1.4452E+01 -1.5899E+00
  4.2137E+00 -6.8214E+00  8.3196E+00
 -3.1683E+03 -7.4941E+02 -1.5421E+03
CT             253   12.011000    0.145000
 -1.7605E+01 -8.1438E+00 -1.6031E+01
  9.4164E-01 -2.1528E+00  3.0479E+00
  1.6674E+02 -1.8458E+03 -5.1752E+03
OH             254    0.000000   -0.683000
 -1.6259E+01 -7.7490E+00 -1.6173E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             255    1.008000    0.418000
 -1.6079E+01 -7.1153E+00 -1.5495E+01
  9.7104E+00 -1.1877E+01  8.9963E+00
  1.9091E+02  6.6200E+01 -6.0997E+02
HC             256    1.008000    0.040000
 -1.7836E+01 -8.6097E+00 -1.5073E+01
 -4.4100E+00 -2.1879E+01 -7.2896E+00
 -1.3576E+03  1.1344E+03 -7.5919E+02
HC             257    1.008000    0.040000
 -1.7695E+01 -8.8639E+00 -1.6844E+01
 -1.1283E+01  9.8167E+00 -6.6814E+00
 -2.3163E+03 -2.0097E+03  2.0698E+03
HC             258    1.008000    0.040000
 -1.8229E+01 -7.3231E+00 -1.6385E+01
  1.2368E+00  2.5140E+00  1.3000E+01
 -1.2550E+03  4.6440E+02  3.2261E+03
CT             259   12.011000    0.145000
  8.1376E+00  8.0532E+00  7.5924E+00
 -6.1663E+00 -1.6592E+00 -4.5543E+00
 -1.5993E+03 -2.0697E+03  2.0329E+03
OH             260    0.000000   -0.683000
  7.3683E+00  8.9966E+00  8.3039E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             261    1.008000    0.418000
  6.6568E+00  8.4728E+00  8.6393E+00
  1.3306E+01 -1.5065E+01  6.0151E+00
 -2.4245E+02  4.2838E+02 -1.3960E+03
HC             262    1.008000    0.040000
  9.0602E+00  8.4514E+00  7.1701E+00
  8.8949E-01  9.0010E+00  1.9186E+01
  9.4666E+01  7.0528E+02  2.6128E+03
HC             263    1.008000    0.040000
  7.6719E+00  7.5285E+00  6.7582E+00
 -1.1962E+01 -1.4961E-01 -2.3173E+00
 -3.0537E+03  1.7898E+03  5.4530E+02
HC             264    1.008000    0.040000
  8.3898E+00  7.2508E+00  8.2858E+00
  2.8882E+01  7.4242E+00 -4.9025E+00
  2.1746E+03  1.2096E+03 -4.5539E+02
CT             265   12.011000    0.145000
 -1.3110E+01  2.9986E+00  1.7147E+01
 -7.9039E+00 -2.5389E+00  8.0336E+00
  1.6886E+03 -1.1208E+02  2.2375E+03
OH             266    0.000000   -0.683000
 -1.2501E+01  1.7406E+00  1.7332E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             267    1.008000    0.418000
 -1.2858E+01  1.1550E+00  1.6682E+01
  1.1845E+01  6.5022E+00 -1.2896E+01
 -9.2429E+02  8.8609E+02  3.1163E+02
HC             268    1.008000    0.040000
 -1.4083E+01  2.9884E+00  1.7638E+01
 -2.3882E+00 -2.9574E+01  2.0259E+01
  3.7668E+02 -3.5313E+02 -1.2944E+03
HC             269    1.008000    0.040000
 -1.3127E+01  3.3795E+00  1.6126E+01
  4.8540E+00 -3.1416E+01 -4.0629E+00
 -6.9229E+02 -4.3775E+03 -7.5667E+02
HC             270    1.008000    0.040000
 -1.2541E+01  3.8038E+00  1.7611E+01
 -1.6736E+01  4.2325E+00  7.3914E+00
  1.8238E+02 -1.3759E+03  2.1207E+03
CT             271   12.011000    0.145000
  1.9985E+01  4.3402E+00  1.5334E+01
 -4.2968E+00 -1.8338E-01 -2.7272E+00
  1.9350E+03 -2.1663E+03 -1.0244E+03
OH             272    0.000000   -0.683000
 -2.0327E+01  5.1727E+00  1.4360E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             273    1.008000    0.418000
  1.9955E+01  5.1511E+00  1.3646E+01
 -1.6949E+00  2.4836E+01 -1.5022E-01
 -4.6766E+02  2.1387E+03  9.2930E+02
HC             274    1.008000    0.040000
  1.9925E+01  3.3774E+00  1.4827E+01
 -5.0100E+00  4.0591E+00 -1.0859E+01
 -1.8017E+03 -4.6445E+02  9.3252E+02
HC             275    1.008000    0.040000
  1.8973E+01  4.6569E+00  1.5588E+01
 -1.5368E+01 -2.1979E+01 -1.6580E+01
  4.9138E+02 -1.6240E+03  2.3991E+02
HC             276    1.008000    0.040000
 -2.0283E+01  4.1743E+00  1.6207E+01
 -2.9503E+00 -9.6390E-01 -3.8481E+00
 -7.7919E+01  1.3996E+03  3.6913E+02
CT             277   12.011000    0.145000
  5.0915E+00 -7.5258E+00 -1.4114E+01
 -1.4819E+00  6.7037E+00  1.0195E+00
  1.6570E+02  6.2575E+03 -1.7456E+02
OH             278    0.000000   -0.683000
  4.4710E+00 -7.4777E+00 -1.5379E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             279    1.008000    0.418000
  3.7808E+00 -8.1022E+00 -1.5216E+01
 -4.5691E-01  7.9020E+00  3.7212E+01
  1.4204E+03  7.3681E+02 -1.6327E+02
HC             280    1.008000    0.040000
  4.3178E+00 -7.2637E+00 -1.3392E+01
 -9.0208E+00  1.8981E+01 -1.1032E+01
  3.6820E+01 -3.4085E+03  5.9301E+02
HC             281    1.008000    0.040000
  5.7147E+00 -6.6563E+00 -1.3905E+01
 -1.7818E+01  1.9581E+01 -1.7250E+00
  4.2683E+02  3.0041E+02 -2.5449E+03
HC             282    1.008000    0.040000
  5.7468E+00 -8.3740E+00 -1.3916E+01
 -4.3490E-01  1.9654E-01 -2.6340E+01
 -3.1322E+03 -1.4459E+03 -1.3204E+03
CT             283   12.011000    0.145000
  7.7344E-01  1.9450E+01 -1.3763E+01
 -2.1975E+00 -2.5600E+00 -3.8714E+00
  8.3471E+02  2.2790E+03 -1.0568E+03
OH             284    0.000000   -0.683000
 -4.3160E-01  2.0144E+01 -1.3531E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             285    1.008000    0.418000
 -7.3011E-01  1.9905E+01 -1.2667E+01
 -6.3469E+00  2.6813E+00 -1.3923E+00
 -2.4428E+03  3.1289E+02 -7.4938E+02
HC             286    1.008000    0.040000
  5.9436E-01  1.8382E+01 -1.3893E+01
  5.6768E+00 -6.3337E+00  1.3358E+01
  1.0621E+03 -4.3430E+00  1.8304E+03
HC             287    1.008000    0.040000
  1.3841E+00  1.9697E+01 -1.2894E+01
  9.4837E+00 -1.3986E+01 -8.4999E+00
  1.1735E+03 -2.9861E+03 -9.3764E+01
HC             288    1.008000    0.040000
  1.3523E+00  1.9832E+01 -1.4603E+01
  1.8052E+01 -8.3539E-01  1.0131E+01
 -8.4121E+02 -6.9669E+01 -1.7401E+01
CT             289   12.011000    0.145000
 -1.6059E+01  5.3031E+00 -1.6510E+01
  6.7313E+00  7.0898E-01 -1.9935E-01
  8.6875E+03  5.3856E+02  7.8438E+02
OH             290    0.000000   -0.683000
 -1.5923E+01  3.9060E+00 -1.6642E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             291    1.008000    0.418000
 -1.5187E+01  3.6260E+00 -1.6120E+01
  2.1876E+00 -4.9443E+00 -5.6099E+00
  2.7495E+02  2.8264E+03  8.3825E+02
HC             292    1.008000    0.040000
 -1.5103E+01  5.6229E+00 -1.6924E+01
  6.0976E-01  1.5467E+01 -3.5880E+00
 -1.1228E+03  2.5704E+03 -2.0848E+03
HC             293    1.008000    0.040000
 -1.5914E+01  5.5624E+00 -1.5461E+01
 -1.4870E+01  1.2476E+01  4.6335E-01
 -4.8583E+03  2.1422E+03  2.2738E+02
HC             294    1.008000    0.040000
 -1.6885E+01  5.8189E+00 -1.7000E+01
 -4.2393E+00 -5.4560E+00  1.1193E+01
 -3.1337E+02 -1.1513E+03  9.3332E+02
CT             295   12.011000    0.145000
  1.9798E+01  9.7745E+00 -1.1059E+01
  2.9290E+00 -1.2112E+00  4.8806E+00
  1.0590E+03  7.7109E+03 -4.0485E+02
OH             296    0.000000   -0.683000
 -1.9919E+01  9.6308E+00 -1.1811E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             297    1.008000    0.418000
 -1.9263E+01  9.2816E+00 -1.1228E+01
  6.9822E+00 -3.6131E+00 -9.7490E+00
 -3.1675E+02 -5.0162E+02 -2.0505E+02
HC             298    1.008000    0.040000
  1.9009E+01  1.0380E+01 -1.1505E+01
 -1.8802E+01 -4.1751E+01 -1.7530E+01
  1.3153E+03 -2.8980E+03 -2.5600E+03
HC             299    1.008000    0.040000
  2.0061E+01  1.0392E+01 -1.0200E+01
  8.6910E-01 -3.3045E+00  7.0320E+00
  5.5096E+02 -2.0028E+03  1.7272E+03
HC             300    1.008000    0.040000
  1.9269E+01  8.8887E+00 -1.0706E+01
 -8.9880E+00  5.9191E+00  5.4868E+00
 -9.4221E+02  1.2809E+03 -3.5945E+02
CT             301   12.011000    0.145000
  1.7292E+01  9.9394E+00  2.1856E+00
  1.1710E-01  8.0677E-01  3.1023E-01
  4.7260E+02  1.6626E+03  7.5917E+02
OH             302    0.000000   -0.683000
  1.7935E+01  1.0307E+01  9.8540E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             303    1.008000    0.418000
  1.7883E+01  9.6171E+00  3.4142E-01
 -2.6174E+00 -1.0122E+01  1.0701E+01
 -8.3892E+02 -1.1317E+03  1.4595E+03
HC             304    1.008000    0.040000
  1.7998E+01  9.8326E+00  3.0097E+00
  1.1222E+01 -1.7531E+01 -1.0863E+01
  8.2807E+02 -1.8721E+03 -1.3065E+03
HC             305    1.008000    0.040000
  1.6711E+01  9.0193E+00  2.1260E+00
  1.8090E+01 -1.1946E+01  1.1585E+01
  4.6193E+02  5.6932E+02 -2.3168E+02
HC             306    1.008000    0.040000
  1.6687E+01  1.0786E+01  2.5118E+00
  4.2622E-01 -7.0925E-01  4.8873E+00
 -1.6833E+03 -8.9308E+02 -5.7408E+02
CT             307   12.011000    0.145000
 -1.3434E+00 -1.8918E+01 -6.9782E+00
 -9.7526E+00 -2.7868E+00 -6.0619E+00
  1.7205E+03 -2.8254E+03 -1.4805E+03
OH             308    0.000000   -0.683000
 -7.0881E-01 -1.8503E+01 -8.1670E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             309    1.008000    0.418000
  1.6869E-01 -1.8843E+01 -8.0807E+00
 -1.6112E+00 -8.2209E+00 -1.3181E+01
  1.3198E+02  8.3572E+02 -7.7982E+02
HC             310    1.008000    0.040000
 -5.0944E-01 -1.8975E+01 -6.2786E+00
 -9.0989E-01  1.6245E+01 -1.4335E+01
 -1.8396E+03  1.6109E+03  1.6445E+03
HC             311    1.008000    0.040000
 -1.7267E+00 -1.9936E+01 -7.0432E+00
 -1.4376E+01 -2.7498E+00  1.4074E+01
 -2.0261E+01  3.2717E+02 -6.9538E+02
HC             312    1.008000    0.040000
 -2.1424E+00 -1.8283E+01 -6.5966E+00
  1.2348E+01  1.9519E+01  6.0347E+00
  1.5168E+03 -6.4225E+01 -1.8854E+02
CT             313   12.011000    0.145000
  2.0280E+01 -4.9067E+00 -1.9760E+01
 -1.2374E+00 -1.0866E+00 -8.5382E-01
  1.0576E+03 -2.4983E+03  2.9435E+03
OH             314    0.000000   -0.683000
  1.9259E+01 -4.3882E+00 -1.8937E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             315    1.008000    0.418000
  1.8896E+01 -3.6413E+00 -1.9388E+01
 -3.0466E+01 -1.9266E+01 -1.0526E+01
 -2.5350E+03 -1.7035E+03  1.5927E+03
HC             316    1.008000    0.040000
 -2.0047E+01 -5.6302E+00 -1.9180E+01
  8.4827E+00  1.1469E+01  5.7167E+00
 -1.6438E+03 -1.6089E+03 -5.9479E+02
HC             317    1.008000    0.040000
 -1.9810E+01 -4.2502E+00 -2.0077E+01
 -2.9168E+00 -8.4096E+00 -2.1875E+01
 -2.9459E+03  2.5858E+03  1.3447E+02
HC             318    1.008000    0.040000
  1.9718E+01 -5.3264E+00  2.0305E+01
 -2.1407E+01  1.3274E+01  4.7147E+00
  3.6368E+03  6.1801E+02 -1.4087E+03
CT             319   12.011000    0.145000
  5.5193E+00 -1.8701E+01 -3.9744E+00
  2.6905E-01 -2.4429E+00  3.9617E-01
  2.3283E+03 -3.6433E+03  3.1974E+03
OH             320    0.000000   -0.683000
  6.6613E+00 -1.8707E+01 -4.8013E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             321    1.008000    0.418000
  7.3812E+00 -1.8388E+01 -4.2786E+00
  1.0278E+01  2.3519E+00 -1.4946E+01
  1.5587E+03  1.1572E+03 -3.0533E+03
HC             322    1.008000    0.040000
  4.8360E+00 -1.9418E+01 -4.4294E+00
  4.9180E+00 -1.7128E+01  1.5536E+01
 -1.6310E+03  1.8646E+03  9.2790E+02
HC             323    1.008000    0.040000
  5.1078E+00 -1.7728E+01 -3.7034E+00
  2.7140E+00  7.3936E+00 -2.7859E+01
  1.9805E+02 -1.2945E+02 -2.5634E+03
HC             324    1.008000    0.040000
  5.8131E+00 -1.9224E+01 -3.0643E+00
 -1.2026E+01 -1.8522E+01 -4.3952E+00
 -6.9976E+02 -2.0491E+02  1.7759E+02
CT             325   12.011000    0.145000
 -7.5898E+00 -8.4576E+00 -4.1008E+00
 -2.7388E+00 -3.4666E+00  6.3808E+00
 -1.6487E+03 -9.0168E+02  1.9546E+03
OH             326    0.000000   -0.683000
 -8.1667E+00 -7.2368E+00 -3.6947E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             327    1.008000    0.418000
 -9.0811E+00 -7.4356E+00 -3.8265E+00
 -5.0424E+00  4.8237E+00  2.3231E+01
 -4.0127E+02  3.3041E+03  1.1373E+03
HC             328    1.008000    0.040000
 -7.6239E+00 -8.4616E+00 -5.1903E+00
  5.4948E+00 -6.6416E+00  6.0637E+00
  5.2004E+03 -1.8288E+03 -4.8642E+01
HC             329    1.008000    0.040000
 -8.2684E+00 -9.2647E+00 -3.8248E+00
  1.4451E+00 -1.5217E+01 -1.5410E+01
  1.8937E+03 -8.4299E+02  6.7222E+02
HC             330    1.008000    0.040000
 -6.6050E+00 -8.6346E+00 -3.6684E+00
 -1.1856E+01 -2.1865E+01  2.1089E+01
 -2.4369E+02 -6.8890E+02 -1.4547E+03
CT             331   12.011000    0.145000
 -1.9002E+01  6.7866E+00  2.0061E+01
 -2.8085E-02  1.4864E+00  1.9583E+00
 -1.3311E+02  3.4992E+03  1.2311E+03
OH             332    0.000000   -0.683000
 -2.0411E+01  6.7419E+00  2.0071E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             333    1.008000    0.418000
  2.0161E+01  6.3089E+00 -2.0055E+01
  3.0774E+00 -9.9213E+00 -4.0888E+00
  2.9656E+03 -3.9129E+03 -8.9338E+02
HC             334    1.008000    0.040000
 -1.8633E+01  7.2318E+00 -1.9915E+01
 -5.3653E+00  1.3831E+01 -1.6490E+00
 -1.0376E+03 -1.7511E+03  1.1706E+03
HC             335    1.008000    0.040000
 -1.8658E+01  7.5648E+00  1.9379E+01
 -6.9928E+00 -4.3535E+00 -8.5125E+00
 -3.8095E+02 -1.4590E+03 -1.9824E+03
HC             336    1.008000    0.040000
 -1.8464E+01  5.8511E+00  1.9906E+01
 -1.3273E+01 -9.7424E+00  1.9856E+01
 -2.2047E+03 -2.6455E+02 -6.0810E+02
CT             337   12.011000    0.145000
 -2.2073E+00  1.3697E+01 -5.3425E+00
 -6.2777E+00  3.8939E-01  4.1052E-01
 -3.2432E+03 -2.5855E+03  2.1876E+03
OH             338    0.000000   -0.683000
 -2.3274E+00  1.2787E+01 -6.4130E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             339    1.008000    0.418000
 -1.9209E+00  1.3303E+01 -7.0924E+00
  8.1478E+00  1.1002E+01  1.2718E+01
 -1.8458E+03 -1.5111E+03 -1.4194E+03
HC             340    1.008000    0.040000
 -1.3114E+00  1.3476E+01 -4.7623E+00
 -1.3217E+01  3.5064E+00  1.2670E+01
  4.1745E+02  2.1194E+03 -4.0850E+02
HC             341    1.008000    0.040000
 -3.0722E+00  1.3451E+01 -4.7264E+00
 -2.0367E+01  1.4678E+01 -1.2738E+01
 -4.0426E+01  3.0852E+03  1.0568E+03
HC             342    1.008000    0.040000
 -2.3459E+00  1.4696E+01 -5.7552E+00
 -3.7469E+01 -4.2328E+00 -2.7434E+00
  2.8203E+02 -3.1177E+02  2.4810E+03
CT             343   12.011000    0.145000
 -1.6887E+01 -3.8895E+00  9.3244E+00
  3.9138E+00  1.7661E+00 -4.2440E+00
 -2.1319E+03 -3.1994E+02 -9.6420E+02
OH             344    0.000000   -0.683000
 -1.6720E+01 -5.2323E+00  8.9275E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             345    1.008000    0.418000
 -1.5908E+01 -5.3913E+00  9.3832E+00
  7.1457E+00  2.0043E+01 -4.7049E+00
  1.0550E+03 -1.9470E+03 -3.8142E+03
HC             346    1.008000    0.040000
 -1.6138E+01 -3.1881E+00  8.9559E+00
 -1.1284E+01  1.8698E+01 -4.2868E+00
 -4.2742E+02 -9.9974E+02 -8.7580E+02
HC             347    1.008000    0.040000
 -1.6895E+01 -3.7704E+00  1.0408E+01
 -1.6585E+00 -6.9233E+00 -3.2307E+00
  4.7961E+02 -1.9569E+03  7.7341E+01
HC             348    1.008000    0.040000
 -1.7861E+01 -3.4956E+00  9.0369E+00
  6.7914E+00  2.1230E+01  1.0563E+01
  8.3567E+02  3.1462E+02 -8.8292E+02
CT             349   12.011000    0.145000
  1.0529E+01  9.2902E+00 -3.0418E+00
  2.6606E+00 -2.0265E-01 -3.7122E-02
  1.4863E+03 -8.6700E+02 -3.8801E+03
OH             350    0.000000   -0.683000
  1.0627E+01  1.0667E+01 -3.3302E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             351    1.008000    0.418000
  1.0176E+01  1.1138E+01 -2.6463E+00
 -2.4988E+01 -1.8197E+01 -2.5394E+00
 -3.6937E+01 -3.9114E+03  1.5985E+03
HC             352    1.008000    0.040000
  1.1065E+01  8.9646E+00 -2.1504E+00
  6.4851E+00 -1.8913E+01 -8.6803E+00
 -2.0463E+03  6.5134E+01  4.4358E+02
HC             353    1.008000    0.040000
  1.1065E+01  8.8161E+00 -3.8636E+00
  5.5474E+00 -2.9925E-02  1.7339E+00
  5.7530E+02 -8.2532E+02  4.0790E+02
HC             354    1.008000    0.040000
  9.5317E+00  8.8590E+00 -3.1330E+00
  1.1075E+01 -2.6138E+01  1.8632E+01
  4.8158E+02  5.6617E+02  2.9662E+03
CT             355   12.011000    0.145000
  9.1888E+00 -8.3708E+00  1.4883E+01
  3.5021E+00  3.8842E+00  8.7639E-01
 -2.2199E+03 -3.2593E+03 -1.7252E+01
OH             356    0.000000   -0.683000
  1.0222E+01 -9.2016E+00  1.4404E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             357    1.008000    0.418000
  1.0492E+01 -8.6554E+00  1.3681E+01
 -7.5952E+00 -2.2993E+01 -2.1679E+01
  1.3037E+03 -4.0274E+03 -1.6880E+03
HC             358    1.008000    0.040000
  9.5433E+00 -7.3903E+00  1.5201E+01
 -2.0638E+00  5.0922E+00  3.4820E+00
 -2.4413E+02 -3.8497E+01 -8.0958E+02
HC             359    1.008000    0.040000
  8.6188E+00 -8.8038E+00  1.5705E+01
  1.2285E+01  1.0574E+01  1.0758E+01
  1.0143E+03 -4.6332E+02  5.2824E+02
HC             360    1.008000    0.040000
  8.4893E+00 -8.2527E+00  1.4055E+01
  1.2922E+00 -4.7021E+00  1.4236E+00
 -3.8610E+02  7.5978E+02  4.5363E+02
CT             361   12.011000    0.145000
  5.2070E+00 -1.2968E+01 -8.8128E+00
  2.1104E-01  2.3928E+00  3.0419E+00
 -5.3961E+03 -1.4949E+03 -1.5759E+03
OH             362    0.000000   -0.683000
  5.2197E+00 -1.4079E+01 -7.9447E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             363    1.008000    0.418000
  5.4169E+00 -1.3724E+01 -7.0913E+00
 -9.7553E+00 -1.4989E+01  8.9583E+00
  2.5939E+03 -1.4506E+02 -1.1887E+03
HC             364    1.008000    0.040000
  6.1815E+00 -1.2481E+01 -8.8444E+00
  1.0099E+00  3.4285E-01 -1.7842E+01
 -1.5256E+03  1.2029E+03 -1.4797E+03
HC             365    1.008000    0.040000
  4.3530E+00 -1.2336E+01 -8.5698E+00
 -4.5052E+00  3.7276E+00 -1.5495E+01
  2.4295E+03  2.2867E+03  1.4175E+03
HC             366    1.008000    0.040000
  4.9137E+00 -1.3355E+01 -9.7885E+00
  1.7835E+01 -1.1942E+01  2.9080E+00
  1.8276E+03  7.9141E+02 -7.4667E+02
CT             367   12.011000    0.145000
  1.6740E+01 -1.5226E+01 -8.2946E+00
  1.0768E+00  3.1533E+00  1.9717E+00
  1.5304E+02 -4.4729E+01  1.7446E+01
OH             368    0.000000   -0.683000
  1.7985E+01 -1.5242E+01 -8.9558E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             369    1.008000    0.418000
  1.7780E+01 -1.4824E+01 -9.7779E+00
  1.5484E+01 -1.2501E+01 -1.0850E+01
  3.9082E+03 -9.0868E+02 -1.1770E+03
HC             370    1.008000    0.040000
  1.6808E+01 -1.5984E+01 -7.5141E+00
 -2.1720E+00 -6.5728E+00 -6.9512E+00
 -2.0611E+03  1.9581E+03  1.6814E+03
HC             371    1.008000    0.040000
  1.5910E+01 -1.5501E+01 -8.9459E+00
  1.3579E+00 -7.3177E+00  5.8495E+00
  2.2965E+03 -2.9375E+03 -1.5781E+03
HC             372    1.008000    0.040000
  1.6363E+01 -1.4241E+01 -8.0173E+00
 -5.6977E+00 -3.8411E+00  1.8996E+01
  2.8212E+03 -1.5863E+02  3.4066E+03
CT             373   12.011000    0.145000
  1.3216E+01  2.0050E+01 -1.2052E+01
 -1.7700E+00 -1.0609E-01 -1.2792E-01
  5.7856E+03  2.9848E+01 -1.1915E+03
OH             374    0.000000   -0.683000
  1.3284E+01  1.8661E+01 -1.1824E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             375    1.008000    0.418000
  1.3143E+01  1.8548E+01 -1.0897E+01
  3.5378E+01 -4.2571E+00  6.2972E+00
  3.1508E+02 -2.5416E+03 -1.6537E+03
HC             376    1.008000    0.040000
  1.3727E+01  2.0183E+01 -1.3005E+01
 -1.2064E+01  2.4802E+01 -2.9630E+00
 -1.9456E+03  2.6735E+03 -6.1925E+02
HC             377    1.008000    0.040000
  1.3849E+01 -2.0374E+01 -1.1303E+01
  1.4508E+01 -2.2105E+01  1.0695E+00
 -7.3855E+02  3.0576E+01 -2.0667E+02
HC             378    1.008000    0.040000
  1.2207E+01 -2.0441E+01 -1.2109E+01
  1.1940E+00  5.3859E+00 -2.3297E+01
  5.0143E+02 -1.4280E+03 -5.2170E+02
CT             379   12.011000    0.145000
 -5.8414E+00 -1.2761E+01 -2.0940E+00
 -3.0526E+00 -2.2516E+00 -5.2403E-02
  8.4263E+02  3.3664E+03 -1.2166E+03
OH             380    0.000000   -0.683000
 -5.4537E+00 -1.3251E+01 -3.3580E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             381    1.008000    0.418000
 -6.0792E+00 -1.3847E+01 -3.7399E+00
 -8.9491E+00 -1.1323E+00  1.5577E+01
 -2.7641E+03  1.2163E+03  2.8604E+03
HC             382    1.008000    0.040000
 -4.9083E+00 -1.2353E+01 -1.7055E+00
  1.4683E-01  5.7471E+00 -1.5343E+01
 -7.6000E+02 -5.3570E+02  1.5736E+03
HC             383    1.008000    0.040000
 -6.2887E+00 -1.3424E+01 -1.3532E+00
 -4.5052E+00  8.5853E+00  9.0380E+00
 -2.3058E+02 -5.7279E+02 -1.4448E+03
HC             384    1.008000    0.040000
 -6.3861E+00 -1.1841E+01 -2.3060E+00
  2.3846E+01  1.2310E+01 -1.0937E+01
 -1.4419E+03 -1.7745E+03  1.6495E+03
CT             385   12.011000    0.145000
  9.3702E+00 -1.6533E+01  9.8453E+00
  3.0090E+00  2.2618E+00  3.6388E+00
  3.9945E+03  1.3856E+03  3.4861E+03
OH             386    0.000000   -0.683000
  1.0074E+01 -1.5850E+01  8.8318E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             387    1.008000    0.418000
  9.9398E+00 -1.6421E+01  8.0908E+00
 -3.3356E+00 -9.6225E+00  7.7967E+00
  1.5054E+03 -1.6529E+02  9.9214E+01
HC             388    1.008000    0.040000
  9.4513E+00 -1.5953E+01  1.0765E+01
 -1.1687E+01  1.2134E+01 -9.2497E-01
 -1.6086E+03  8.3289E+02 -1.9907E+02
HC             389    1.008000    0.040000
  9.8464E+00 -1.7466E+01  1.0145E+01
 -1.3836E+01 -9.5205E-01  2.2575E+01
 -1.0150E+03 -4.6405E+02 -1.8121E+03
HC             390    1.008000    0.040000
  8.3138E+00 -1.6711E+01  9.6447E+00
  1.5706E+00  1.3185E+01  8.5365E-01
  5.3161E+02  6.5835E+02 -7.3041E+02
CT             391   12.011000    0.145000
  1.4721E+01  1.3035E+01 -1.7648E+01
  1.0624E-01 -3.7007E+00  2.6670E+00
 -2.0001E+03 -5.6562E+03  5.0139E+02
OH             392    0.000000   -0.683000
  1.5829E+01  1.2549E+01 -1.8373E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             393    1.008000    0.418000
  1.6365E+01  1.2172E+01 -1.7693E+01
 -7.2629E+00 -1.0823E+01 -1.6888E-02
  1.5228E+02 -3.6610E+01 -3.9651E+02
HC             394    1.008000    0.040000
  1.4013E+01  1.3734E+01 -1.8093E+01
  9.6179E+00  3.8014E+00 -1.0500E+00
  2.4798E+03  2.7015E+02 -2.9407E+03
HC             395    1.008000    0.040000
  1.4900E+01  1.3410E+01 -1.6640E+01
  1.1867E+01 -8.9019E-01 -3.1184E-01
  2.8956E+03  6.9087E+02 -9.4596E+02
HC             396    1.008000    0.040000
  1.4065E+01  1.2200E+01 -1.7402E+01
 -1.5384E+01  1.3060E+01  2.1914E+01
  6.8649E+02 -1.3009E+02 -4.4432E+02
CT             397   12.011000    0.145000
 -1.8211E+01  1.9147E+00 -7.1536E+00
  3.3325E-01 -4.2824E+00  1.7139E+00
  1.2937E+03 -3.0836E+03  1.2797E+03
OH             398    0.000000   -0.683000
 -1.8067E+01  2.4498E+00 -5.8570E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             399    1.008000    0.418000
 -1.8516E+01  3.2799E+00 -5.8146E+00
  1.3707E+01  7.2175E+00  1.4996E+01
  3.0580E+03  1.3574E+03  3.1694E+03
HC             400    1.008000    0.040000
 -1.7585E+01  2.3142E+00 -7.9514E+00
 -5.5970E+00 -1.1461E+01 -6.7324E+00
 -2.3259E+03  4.1688E+03  7.9391E+02
HC             401    1.008000    0.040000
 -1.9261E+01  1.9283E+00 -7.4464E+00
  5.0482E+00  2.2851E+01 -1.7822E+01
  1.3489E+03  4.3160E+02 -9.9052E+02
HC             402    1.008000    0.040000
 -1.7822E+01  9.0924E-01 -7.3135E+00
 -6.0826E+00 -3.3218E+00 -2.4489E+01
 -1.8659E+03 -4.8115E+02  3.1009E+03
CT             403   12.011000    0.145000
 -1.9450E+01  1.1829E+01  3.8996E+00
  6.6447E-02 -5.6646E-01 -1.7206E+00
 -6.0244E+02  2.9471E+03  1.2648E+03
OH             404    0.000000   -0.683000
 -1.8078E+01  1.2150E+01  3.8486E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             405    1.008000    0.418000
 -1.7558E+01  1.1717E+01  4.5085E+00
  1.5979E+01  2.5072E+00 -1.0384E+01
 -2.5309E+02  9.5091E+02  2.3127E+02
HC             406    1.008000    0.040000
 -1.9976E+01  1.2626E+01  3.3751E+00
  1.1965E+00  1.9190E+01  2.5078E+01
 -1.3381E+02 -2.8813E+03 -1.5734E+03
HC             407    1.008000    0.040000
 -1.9828E+01  1.2015E+01  4.9045E+00
 -8.3891E+00  3.6143E+00 -5.5797E+00
  6.5595E+02 -1.1894E+03  4.7666E+02
HC             408    1.008000    0.040000
 -1.9740E+01  1.0814E+01  3.6270E+00
 -1.4785E+01 -5.2320E-01  1.2395E+01
  3.7509E+02  6.3868E+02 -1.1138E+02
CT             409   12.011000    0.145000
  1.1149E+01  1.6968E+01 -2.0323E+01
 -1.0483E+00  5.0708E+00 -2.3634E+00
  1.5278E+03  8.7800E+02  5.1094E+02
OH             410    0.000000   -0.683000
  1.1966E+01  1.6620E+01  1.9482E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             411    1.008000    0.418000
  1.2572E+01  1.6006E+01  1.9867E+01
 -8.8611E+00 -4.3105E+00  7.4956E+00
 -1.3276E+03 -2.6649E+03 -2.5978E+03
HC             412    1.008000    0.040000
  1.0475E+01  1.7779E+01  2.0301E+01
 -1.5284E+01 -5.7347E+00 -5.6848E-01
  5.7440E+02  3.4861E+02  1.0602E+03
HC             413    1.008000    0.040000
  1.1813E+01  1.7205E+01 -1.9492E+01
  8.0814E+00  2.0067E+01 -1.3419E+01
  4.1923E+02  3.3168E+03 -1.3469E+03
HC             414    1.008000    0.040000
  1.0536E+01  1.6239E+01 -1.9793E+01
  7.0540E+00 -2.7435E-01 -1.6066E-01
 -2.6489E+02 -2.5456E+03 -4.2843E+03
CT             415   12.011000    0.145000
  2.0077E+01 -4.0343E-01  5.6521E-01
  3.7191E+00 -2.1193E+00  2.0190E+00
 -8.5538E+02  1.8483E+03  1.2514E+03
OH             416    0.000000   -0.683000
 -1.9966E+01  5.4839E-01 -2.4880E-02
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             417    1.008000    0.418000
 -2.0160E+01  6.6173E-01 -9.4283E-01
  1.6245E+01  1.3953E+00 -3.5607E+00
 -1.2840E+02 -1.1811E+03  2.0953E+02
HC             418    1.008000    0.040000
  2.0268E+01 -3.7645E-01  1.6381E+00
  1.5376E+01  7.7698E+00 -7.7889E-02
  2.2291E+03 -1.2844E+03 -4.5392E+02
HC             419    1.008000    0.040000
  2.0241E+01 -1.4059E+00  1.6982E-01
  1.4262E+01 -6.5160E+00  1.6656E+01
 -1.7914E+02  2.1681E+01  1.1360E+03
HC             420    1.008000    0.040000
  1.9006E+01 -2.1209E-01  5.0838E-01
  4.5605E+00 -1.2776E+00 -3.4497E+01
  1.2457E+03  1.9051E+03 -3.1248E+03
CT             421   12.011000    0.145000
  1.5672E+01  1.8081E+01 -1.7950E+01
 -4.0121E+00  3.7995E+00  1.2245E+00
 -1.6652E+03 -1.5329E+03  1.4191E+03
OH             422    0.000000   -0.683000
  1.6288E+01  1.8321E+01 -1.6704E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             423    1.008000    0.418000
  1.5987E+01  1.9180E+01 -1.6450E+01
 -9.4041E-01 -5.6153E+00  1.9458E+01
  2.4900E+02 -6.5420E+02  1.3142E+03
HC             424    1.008000    0.040000
  1.6047E+01  1.8647E+01 -1.8803E+01
 -3.4288E+00  1.7495E+01  1.0253E+01
  2.2476E+02  2.5626E+03  2.1504E+03
HC             425    1.008000    0.040000
  1.4604E+01  1.8274E+01 -1.7852E+01
 -7.1771E+00 -4.5173E-01 -1.9959E+01
  2.8455E+02  7.3071E+02 -1.0739E+03
HC             426    1.008000    0.040000
  1.5697E+01  1.7056E+01 -1.8320E+01
 -4.9666E+00  6.7697E-01  9.5872E+00
  1.2725E+03 -1.0808E+03  2.8568E+03
CT             427   12.011000    0.145000
 -1.3340E+01  1.6960E+01 -1.0725E+01
  4.2034E+00 -1.8819E+00 -2.9200E+00
 -2.7918E+03  5.4988E+03 -1.0528E+03
OH             428    0.000000   -0.683000
 -1.4242E+01  1.6404E+01 -1.1655E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             429    1.008000    0.418000
 -1.4897E+01  1.7063E+01 -1.1828E+01
  1.2024E+01  1.1209E+01 -4.5120E+00
  1.5044E+03  1.6683E+03  1.7725E+03
HC             430    1.008000    0.040000
 -1.2626E+01  1.6255E+01 -1.0299E+01
  1.2516E+00 -1.1622E+01 -1.3602E+01
 -5.7827E+01  3.7922E+02 -9.5014E+02
HC             431    1.008000    0.040000
 -1.3869E+01  1.7517E+01 -9.9514E+00
 -1.0544E+01 -1.7649E+01 -1.0693E+00
 -1.3101E+03 -2.9259E+03  1.3350E+03
HC             432    1.008000    0.040000
 -1.2863E+01  1.7792E+01 -1.1243E+01
  1.1692E+01 -1.2326E+01 -1.3323E+01
  2.3510E+03 -1.5948E+03 -8.0840E+02
CT             433   12.011000    0.145000
  1.9690E+01 -1.8159E+01  1.9370E+01
 -6.3433E+00 -1.6375E+00  2.2027E+00
 -1.7432E+03 -4.6616E+03 -7.6943E+03
OH             434    0.000000   -0.683000
  2.0195E+01 -1.9361E+01  1.9908E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             435    1.008000    0.418000
 -2.0108E+01 -1.8959E+01 -2.0380E+01
  5.9565E+00 -3.3173E+01  1.8398E+01
  1.1046E+03 -6.0812E+03  1.9515E+03
HC             436    1.008000    0.040000
  1.9047E+01 -1.8454E+01  1.8541E+01
 -2.2828E-02  5.3772E+00 -5.3731E+00
 -2.2477E+03  1.5320E+03  5.4501E+02
HC             437    1.008000    0.040000
 -2.0336E+01 -1.7761E+01  1.8855E+01
 -8.8941E+00 -4.9713E-01 -1.2842E+00
 -9.7057E+02  3.4631E+03  1.0425E+03
HC             438    1.008000    0.040000
  1.9238E+01 -1.7483E+01  2.0095E+01
  1.0994E+01  6.5088E+00  5.9319E+00
  9.1604E+02  9.5489E+01 -8.5151E+02
CT             439   12.011000    0.145000
  1.3204E+01  5.6974E+00 -1.3195E+01
 -6.1370E-01  1.3642E+00  1.3416E-01
  1.5742E+03 -4.8721E+03  4.4109E+03
OH             440    0.000000   -0.683000
  1.4487E+01  6.2559E+00 -1.3022E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             441    1.008000    0.418000
  1.5042E+01  6.0574E+00 -1.3761E+01
  1.1791E+01  4.7590E+00  7.2907E+00
  9.0412E+02  4.0669E+02  7.6859E+02
HC             442    1.008000    0.040000
  1.3235E+01  4.6142E+00 -1.3313E+01
 -3.2234E+00  1.4225E+00 -1.1747E+00
  1.5138E+03  3.0083E+01 -3.0212E+03
HC             443    1.008000    0.040000
  1.2476E+01  6.0298E+00 -1.3936E+01
 -2.0464E+01 -2.0552E+01  8.5302E+00
  1.8742E+03  1.3988E+03  1.1400E+03
HC             444    1.008000    0.040000
  1.2753E+01  5.6305E+00 -1.2205E+01
 -7.4585E+00  1.2489E+01 -2.0507E+00
 -2.1295E+03  3.8993E+03 -3.3224E+02
CT             445   12.011000    0.145000
  8.3471E+00 -5.7783E+00  3.3633E+00
 -2.1859E+00  4.0570E-01  2.4448E+00
  2.5007E+03  9.6230E+01 -1.1806E+03
OH             446    0.000000   -0.683000
  8.7117E+00 -7.0331E+00  3.8931E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             447    1.008000    0.418000
  8.1313E+00 -7.5922E+00  3.3996E+00
 -2.8248E+00  1.6444E+00  1.4326E+00
  1.8379E+03 -3.3398E+03  1.7857E+03
HC             448    1.008000    0.040000
  8.8146E+00 -5.6327E+00  2.3895E+00
 -9.0946E+00  1.6675E+01  1.2379E+00
 -2.4793E+03 -1.6782E+03 -1.2637E+03
HC             449    1.008000    0.040000
  8.6307E+00 -4.8321E+00  3.8241E+00
 -3.8270E+01  1.0003E+01  8.0417E+00
 -7.2964E+02 -2.8160E+03  3.2966E+03
HC             450    1.008000    0.040000
  7.2600E+00 -5.8367E+00  3.3087E+00
 -1.8136E+00 -6.3560E+00  1.4029E+00
  2.4291E+02  2.6550E+03 -1.1963E+03
CT             451   12.011000    0.145000
  1.5754E+01 -1.1387E+01  1.2460E+00
  7.7403E-02  6.3003E-01 -3.5091E-01
  1.8867E+03 -1.4104E+03  7.7129E+02
OH             452    0.000000   -0.683000
  1.5767E+01 -1.0703E+01  2.4789E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             453    1.008000    0.418000
  1.5295E+01 -9.9147E+00  2.2580E+00
 -8.6679E+00 -6.4653E+00 -5.2133E+00
 -1.9770E+02  2.5779E+02  2.2583E+03
HC             454    1.008000    0.040000
  1.6579E+01 -1.1031E+01  6.2943E-01
  8.3043E+00 -4.1377E-01  9.7801E+00
  9.5023E+02 -1.0171E+03  7.9591E+02
HC             455    1.008000    0.040000
  1.4861E+01 -1.1298E+01  6.2741E-01
 -1.4392E+01  1.3445E+01  2.1038E+01
 -1.2872E+03  1.1493E+03  3.0724E+03
HC             456    1.008000    0.040000
  1.5840E+01 -1.2436E+01  1.5281E+00
 -9.8833E+00  2.9483E+00  1.2273E+01
  1.4006E+03 -7.6237E+01 -1.6077E+03
CT             457   12.011000    0.145000
 -4.2922E+00  1.6567E+01  1.4085E+01
 -2.7458E+00 -1.5710E+00 -1.5644E+00
  5.7400E+03  8.9769E+02  9.9895E+02
OH             458    0.000000   -0.683000
 -4.2634E+00  1.5551E+01  1.5062E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             459    1.008000    0.418000
 -4.2678E+00  1.4784E+01  1.4510E+01
  3.5198E+00  1.8788E+01 -2.8251E+01
 -8.6959E+02  1.5345E+03 -2.2266E+02
HC             460    1.008000    0.040000
 -5.2197E+00  1.6828E+01  1.3575E+01
 -1.4833E+01 -1.9297E+01  1.0180E+01
 -2.6814E+03 -4.2628E+03  3.7263E+03
HC             461    1.008000    0.040000
 -3.6407E+00  1.6344E+01  1.3240E+01
  1.1097E+01 -7.7032E-01  8.5471E+00
  1.5697E+03 -1.2056E+03  1.4887E+03
HC             462    1.008000    0.040000
 -3.9682E+00  1.7514E+01  1.4516E+01
 -3.4124E+01  1.0408E+01 -1.6821E+00
 -5.0259E+02 -6.3347E+02 -5.5228E+01
CT             463   12.011000    0.145000
 -9.3503E-01  8.6050E+00 -6.9418E+00
 -2.0866E+00  1.3502E+00 -6.2178E+00
 -3.1068E+03  2.5195E+03 -3.3991E+03
OH             464    0.000000   -0.683000
 -1.9926E+00  7.6868E+00 -6.7791E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             465    1.008000    0.418000
 -1.7771E+00  7.4154E+00 -5.8999E+00
  3.3502E+00  1.4531E+01  3.9357E+00
 -1.6360E+03 -6.2012E+02 -1.3815E+02
HC             466    1.008000    0.040000
 -1.0432E+00  9.4552E+00 -6.2682E+00
  2.9636E+00 -4.9524E+00  2.7659E+00
 -3.3490E+02 -1.8326E+02  1.0271E+01
HC             467    1.008000    0.040000
 -1.0354E+00  8.9570E+00 -7.9685E+00
  2.0285E+01  1.4392E+01 -4.5892E+00
  2.7221E+03  1.1172E+03  1.0514E+02
HC             468    1.008000    0.040000
  6.2462E-02  8.2046E+00 -6.7607E+00
 -1.7591E+00  1.9533E+00 -6.6843E+00
 -8.4082E+02 -1.4932E+03 -9.2364E+02
CT             469   12.011000    0.145000
  1.9712E+01  1.8393E+01 -9.5074E+00
 -3.7659E+00 -1.4673E+00  5.1533E+00
  4.3368E+03  5.2451E+03  2.6948E+03
OH             470    0.000000   -0.683000
  1.8822E+01  1.9424E+01 -9.8725E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             471    1.008000    0.418000
  1.8197E+01  1.9454E+01 -9.1640E+00
  6.6100E+00 -1.0570E+01  6.5473E+00
  6.2521E+02  7.2058E+02  2.2538E+02
HC             472    1.008000    0.040000
  2.0245E+01  1.8043E+01 -1.0391E+01
  4.0757E+00  7.9819E+00  5.9625E+00
 -6.1345E+02 -2.6583E+03  1.2287E+03
HC             473    1.008000    0.040000
  1.9424E+01  1.7684E+01 -8.7317E+00
 -1.2781E+01 -1.3509E+01 -8.6677E+00
 -2.2731E+03 -1.8251E+03 -2.9345E+03
HC             474    1.008000    0.040000
 -2.0406E+01  1.8958E+01 -9.0003E+00
  5.3751E+00  3.5929E+00 -1.3669E+01
  1.2384E+03 -2.7508E+02 -1.0370E+03
CT             475   12.011000    0.145000
 -4.3242E+00  1.1014E+01  1.8041E+01
 -3.8539E+00 -3.5378E+00  2.8521E+00
  2.9658E+03 -2.1871E+02 -5.3812E+03
OH             476    0.000000   -0.683000
 -3.2458E+00  1.0273E+01  1.8566E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             477    1.008000    0.418000
 -3.4856E+00  1.0295E+01  1.9480E+01
  2.3477E+00 -3.1557E+01  2.4892E+00
  5.0101E+03 -4.4383E+02  2.7536E+02
HC             478    1.008000    0.040000
 -4.1385E+00  1.2088E+01  1.8026E+01
 -3.5007E+00 -3.4486E+00  9.9361E+00
  3.5192E+02  2.3284E+01  2.5568E+03
HC             479    1.008000    0.040000
 -5.3141E+00  1.0846E+01  1.8466E+01
 -9.6331E+00  6.7203E+00 -6.0560E+00
  9.7273E+02 -4.6838E+02  3.8177E+02
HC             480    1.008000    0.040000
 -4.3581E+00  1.0846E+01  1.6965E+01
  1.6562E+01  1.3841E+01 -1.1958E+00
 -8.9628E+02 -4.9254E+02  4.8312E+02
CT             481   12.011000    0.145000
 -3.5259E+00  1.5501E+01  1.8191E+01
  1.5131E+00  3.4861E+00  3.7024E+00
  3.0756E+03 -5.2747E+03  9.7318E+02
OH             482    0.000000   -0.683000
 -2.4534E+00  1.5902E+01  1.7368E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             483    1.008000    0.418000
 -2.7945E+00  1.5835E+01  1.6489E+01
  1.2078E+01  1.5504E+01 -6.3568E+00
  5.0315E+02  2.5162E+01  2.7102E+02
HC             484    1.008000    0.040000
 -3.3133E+00  1.5675E+01  1.9246E+01
 -1.9308E+01 -7.2604E+00  1.0227E+01
 -2.4435E+03  7.5581E+02  1.0112E+01
HC             485    1.008000    0.040000
 -3.6236E+00  1.4420E+01  1.8093E+01
  8.7678E+00  3.2099E+00 -1.2638E+00
  2.0072E+03 -6.0074E+02  5.1192E+02
HC             486    1.008000    0.040000
 -4.5233E+00  1.5731E+01  1.7816E+01
  7.9366E+00 -3.5691E+00 -1.9366E+01
  1.3778E+03  3.2537E+03  1.7447E+03
CT             487   12.011000    0.145000
  1.2564E+01 -6.2166E-01  4.6193E+00
 -5.3569E+00 -2.5742E+00 -3.7128E+00
  4.7145E+02  2.0152E+03  2.2621E+03
OH             488    0.000000   -0.683000
  1.2530E+01  5.6518E-01  3.8588E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             489    1.008000    0.418000
  1.3312E+01  1.0333E+00  4.1096E+00
  1.5477E+01 -1.8433E+01 -1.1034E+01
  2.3941E+02 -2.2247E+01 -2.9988E+03
HC             490    1.008000    0.040000
  1.3473E+01 -7.3878E-01  5.2099E+00
 -1.3334E+01 -1.7944E+00  9.1011E+00
  5.7859E+02  2.5323E+03 -6.7455E+02
HC             491    1.008000    0.040000
  1.2560E+01 -1.5900E+00  4.1188E+00
  2.2734E+01  3.6965E+00 -1.8131E+01
 -2.2113E+03  2.5022E+03 -2.0260E+03
HC             492    1.008000    0.040000
  1.1855E+01 -5.1959E-01  5.4410E+00
  8.7569E+00  7.7293E+00  7.7143E+00
 -5.3826E+02 -8.1845E+02 -8.7503E+02
CT             493   12.011000    0.145000
  1.8924E+01  1.2365E+01  1.7514E+01
 -4.1832E+00  3.5147E-01  1.1466E+00
 -1.4230E+03  1.1010E+03 -4.0510E+03
OH             494    0.000000   -0.683000
  1.8719E+01  1.1014E+01  1.7163E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             495    1.008000    0.418000
  1.9265E+01  1.0592E+01  1.7808E+01
  1.2982E+00 -9.7526E+00 -7.2595E+00
 -2.8099E+03 -3.2953E+03  1.0379E+02
HC             496    1.008000    0.040000
  1.9962E+01  1.2472E+01  1.7828E+01
 -2.6429E+00 -2.0405E+01  4.5930E+00
 -1.3369E+03  2.5455E+02  2.1923E+03
HC             497    1.008000    0.040000
  1.8156E+01  1.2499E+01  1.8276E+01
  7.8234E+00 -2.3832E+01  1.8854E+01
  2.4068E+03  2.7548E+03  1.9096E+02
HC             498    1.008000    0.040000
  1.8807E+01  1.2963E+01  1.6610E+01
 -6.0245E+00 -3.0504E-01  9.4499E-01
 -1.8109E+03  5.5578E+02  1.8443E+02
CT             499   12.011000    0.145000
  2.6172E+00 -1.6044E+01  5.5389E+00
  1.3279E-01  1.3279E+00 -1.4401E+00
  3.8991E+03  4.2331E+02  4.4350E+03
OH             500    0.000000   -0.683000
  3.5131E+00 -1.6885E+01  4.8481E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             501    1.008000    0.418000
  3.8051E+00 -1.7619E+01  5.3670E+00
 -2.2968E+01 -1.5630E+01 -7.5842E+00
 -3.6610E+03  6.9151E+02  1.8202E+03
HC             502    1.008000    0.040000
  1.8686E+00 -1.6643E+01  6.0570E+00
 -7.9108E+00  1.1144E+01 -1.3928E+00
 -2.3721E+03  7.7887E+02 -2.8271E+03
HC             503    1.008000    0.040000
  2.2260E+00 -1.5223E+01  4.9379E+00
 -2.8806E+01 -4.1136E+00  8.3607E+00
 -2.8896E+03 -1.3615E+03  1.4754E+03
HC             504    1.008000    0.040000
  3.3408E+00 -1.5702E+01  6.2790E+00
  7.1888E+00 -8.8625E+00 -3.4213E+00
 -2.2454E+03  2.2507E+03  1.3857E+03
CT             505   12.011000    0.145000
  2.2883E-01 -2.6292E+00 -1.0054E+01
 -5.4222E-01  4.5163E+00 -2.0625E+00
 -9.9424E+02  6.1141E+03 -2.5114E+03
OH             506    0.000000   -0.683000
  7.1046E-01 -2.0358E+00 -8.8694E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             507    1.008000    0.418000
  1.5091E-01 -2.4697E+00 -8.2436E+00
 -1.4517E+01  2.0800E+01  2.4787E+00
  3.2598E+03  2.3714E+03  3.4908E+03
HC             508    1.008000    0.040000
  4.7573E-01 -1.8828E+00 -1.0809E+01
 -1.0743E+00  1.3967E+01  6.8838E+00
  2.0859E+03 -2.1256E+03 -1.6419E+03
HC             509    1.008000    0.040000
 -8.5341E-01 -2.6591E+00 -1.0181E+01
  1.4741E+00 -2.6605E+01 -2.3230E+01
  9.4456E+02 -2.1275E+03  1.8314E+03
HC             510    1.008000    0.040000
  6.2944E-01 -3.6193E+00 -1.0272E+01
 -4.8209E+00  4.9145E+00 -1.2308E+01
 -4.6072E+02  4.6928E+02 -1.5128E+02
CT             511   12.011000    0.145000
  1.3882E+01 -9.3743E+00 -1.0122E+01
 -2.3677E+00  3.4321E-01  9.1387E-01
  4.0975E+03 -1.7503E+03 -1.7037E+02
OH             512    0.000000   -0.683000
  1.3422E+01 -1.0443E+01 -1.0918E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             513    1.008000    0.418000
  1.4091E+01 -1.0610E+01 -1.1565E+01
 -1.6304E+00  5.5676E+00 -3.1888E+00
  4.6561E+02  3.2551E+03 -3.7138E+02
HC             514    1.008000    0.040000
  1.3454E+01 -9.3024E+00 -9.1222E+00
 -1.9046E+00 -1.9162E+01  2.9004E+00
 -2.2091E+03 -7.0858E+02 -1.4448E+03
HC             515    1.008000    0.040000
  1.3804E+01 -8.4438E+00 -1.0684E+01
 -7.8983E+00 -9.2193E+00 -1.4800E+01
  2.2428E+02 -4.3567E+02  1.8410E+02
HC             516    1.008000    0.040000
  1.4938E+01 -9.5858E+00 -9.9523E+00
  1.9560E+00 -1.0305E+01 -3.2075E+01
 -4.0318E+02  5.6463E+02 -1.1369E+03
CT             517   12.011000    0.145000
 -1.1987E+01  6.3199E+00 -8.5654E+00
 -5.9468E-01  2.8309E-02 -3.0396E-01
 -1.9299E+03 -3.0491E+03 -1.4460E+03
OH             518    0.000000   -0.683000
 -1.1343E+01  6.5004E+00 -9.8068E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             519    1.008000    0.418000
 -1.1963E+01  6.8422E+00 -1.0432E+01
 -3.7277E+00  3.0851E+00  5.3008E+00
 -1.8067E+03 -2.8993E+02  1.6427E+03
HC             520    1.008000    0.040000
 -1.1379E+01  5.7305E+00 -7.8785E+00
 -2.0364E+01  3.0819E+00  2.1045E+01
 -1.0683E+03  1.3802E+03  1.0988E+03
HC             521    1.008000    0.040000
 -1.2806E+01  5.6911E+00 -8.9132E+00
 -6.4567E+00 -5.8514E-01  1.3938E+01
 -2.1361E+03  3.1304E+02  3.5608E+03
HC             522    1.008000    0.040000
 -1.2305E+01  7.2623E+00 -8.1200E+00
  1.0523E+01  2.0801E+00  3.6315E+00
 -2.4637E+02 -6.5528E+02  3.3788E+02
CT             523   12.011000    0.145000
  1.2364E+01 -5.8685E-03  1.6108E+01
  3.4406E+00 -3.7255E+00 -1.5388E+00
  1.6530E+03 -7.3805E+03 -2.1298E+03
OH             524    0.000000   -0.683000
  1.2074E+01  2.9084E-01  1.4760E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             525    1.008000    0.418000
  1.2390E+01 -2.5829E-01  1.4059E+01
 -3.1143E+00 -1.9309E+01  1.2934E+01
  3.8737E+03 -3.9145E+03  5.0269E+03
HC             526    1.008000    0.040000
  1.1765E+01  4.7414E-01  1.6882E+01
 -4.7444E+00 -1.3271E+01 -1.7506E+00
  1.9566E+03  3.5829E+03 -1.9280E+03
HC             527    1.008000    0.040000
  1.3442E+01  1.1684E-01  1.6211E+01
  2.4926E+00 -2.6438E+00  8.0056E+00
 -2.2723E+02  1.9178E+02  2.7210E+03
HC             528    1.008000    0.040000
  1.2044E+01 -1.0300E+00  1.6300E+01
 -2.0963E+01 -1.9530E+00 -2.6410E+01
  1.4234E+03 -1.6680E+02 -1.8381E+03
CT             529   12.011000    0.145000
  8.7247E-01  4.2838E+00 -5.6595E+00
  1.2990E+00 -5.5935E-01 -2.5827E+00
  1.2299E+03 -6.7177E+02  1.3051E+02
OH             530    0.000000   -0.683000
  2.6148E-01  3.0134E+00 -5.6883E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             531    1.008000    0.418000
 -6.0361E-01  3.0878E+00 -5.3153E+00
  2.3131E+00  1.1007E+01  3.5411E+00
  6.8585E+02  8.4283E+02  1.1950E+03
HC             532    1.008000    0.040000
  1.8122E+00  4.1901E+00 -6.2037E+00
  5.0001E+00  1.0553E+01  1.6100E+00
 -2.2686E+02  2.1554E+03 -7.8005E+02
HC             533    1.008000    0.040000
  1.1425E+00  4.4755E+00 -4.6210E+00
  1.0858E+01  4.4569E+00 -5.8715E+00
 -6.0048E+02  2.5464E+03 -3.9493E+02
HC             534    1.008000    0.040000
  1.1977E-01  4.9449E+00 -6.0889E+00
 -1.1239E+01 -8.6937E+00  6.1707E+00
  2.1287E+03  1.9672E+03  6.5716E+02
CT             535   12.011000    0.145000
 -1.9625E+01 -4.1448E+00 -5.4387E+00
  4.1292E-01 -4.1441E-01  5.6895E+00
 -6.9959E+03 -6.6751E+03  8.3188E+02
OH             536    0.000000   -0.683000
  2.0286E+01 -3.1494E+00 -5.3001E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             537    1.008000    0.418000
 -2.0205E+01 -2.5544E+00 -4.6909E+00
  2.1884E+01 -4.7010E+00 -9.1622E+00
  2.2871E+03 -2.4244E+03  2.1664E+02
HC             538    1.008000    0.040000
 -1.9968E+01 -4.7370E+00 -6.2873E+00
  1.3970E+01  7.2041E+00 -5.5304E+00
  4.0668E+03  8.9103E+02 -2.8108E+03
HC             539    1.008000    0.040000
 -1.9707E+01 -4.9224E+00 -4.6792E+00
  1.0835E+01  1.7618E+00  9.2040E+00
  7.5575E+02  1.7379E+03  2.5116E+03
HC             540    1.008000    0.040000
 -1.8578E+01 -3.8448E+00 -5.4310E+00
  3.0735E+00 -9.1929E+00  3.3774E-01
 -1.5272E+03  2.1675E+03 -2.9276E+03
CT             541   12.011000    0.145000
 -1.2670E+01 -1.8084E+01  4.0298E+00
  5.7515E+00  4.8484E+00  1.4050E+00
  2.5120E+03  2.1320E+03  1.6081E+02
OH             542    0.000000   -0.683000
 -1.2468E+01 -1.7933E+01  2.6425E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             543    1.008000    0.418000
 -1.2657E+01 -1.8799E+01  2.3142E+00
 -1.8860E+00 -1.7160E+00  5.4956E+00
 -1.0639E+03  3.1846E+02 -1.1876E+02
HC             544    1.008000    0.040000
 -1.2951E+01 -1.7100E+01  4.4065E+00
  2.1556E+01  1.7635E+01 -1.8106E+01
  1.6513E+03 -5.9391E+02  9.1259E+02
HC             545    1.008000    0.040000
 -1.1758E+01 -1.8475E+01  4.4792E+00
  4.8433E+00  3.3173E+00  1.9230E+00
  1.0395E+03  2.3703E+03  1.7226E+02
HC             546    1.008000    0.040000
 -1.3372E+01 -1.8819E+01  4.4228E+00
 -2.5550E+00  1.1385E+01 -8.8453E-01
 -2.6642E+03  7.2039E+02 -4.1602E+03
CT             547   12.011000    0.145000
  2.0249E+01  1.8755E+01 -2.2551E+00
  5.2543E+00  3.5857E+00 -7.8673E+00
  3.1367E+02 -1.4220E+03 -2.0516E+03
OH             548    0.000000   -0.683000
 -1.9649E+01  1.7794E+01 -2.0106E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             549    1.008000    0.418000
 -1.9855E+01  1.7204E+01 -1.3025E+00
  1.7346E+01 -1.1576E+00  4.5447E+00
  8.5272E+02 -8.7532E+02 -8.8098E+02
HC             550    1.008000    0.040000
  1.9556E+01  1.8535E+01 -3.0671E+00
  1.3842E+01 -1.4764E+00 -1.3994E+01
  6.2233E+02 -3.6029E+03  3.6849E+02
HC             551    1.008000    0.040000
 -2.0199E+01  1.9646E+01 -2.6909E+00
 -3.9815E+00  1.3592E+01  2.3518E+00
  1.0080E+03  9.2971E+01  1.8479E+03
HC             552    1.008000    0.040000
  1.9630E+01  1.9077E+01 -1.4173E+00
  2.1147E+01  1.6259E+01 -4.3888E-01
  2.6922E+03 -5.4081E+02  1.6098E+03
CT             553   12.011000    0.145000
  1.4686E+01  3.4856E+00  1.4534E+01
 -7.6766E-01  4.3169E-01 -3.3566E-01
 -2.4679E+03 -1.7435E+03  1.1506E+03
OH             554    0.000000   -0.683000
  1.4727E+01  2.6655E+00  1.3388E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             555    1.008000    0.418000
  1.3888E+01  2.5291E+00  1.2974E+01
  7.7035E+00  2.5064E+00 -1.7308E+01
 -1.1260E+03  2.8592E+03  2.7914E+03
HC             556    1.008000    0.040000
  1.4465E+01  4.5141E+00  1.4249E+01
  2.6094E-01 -8.5500E-02 -3.0211E+00
  6.9135E+02  1.6953E+02  5.8597E+02
HC             557    1.008000    0.040000
  1.5612E+01  3.4348E+00  1.5106E+01
  1.8318E+00  9.7441E+00 -3.5434E+00
  8.6576E+02  1.0503E+03 -1.6039E+03
HC             558    1.008000    0.040000
  1.3980E+01  3.1453E+00  1.5292E+01
  1.3118E+01 -2.0026E+01  4.2383E+00
 -1.1532E+03 -6.6903E+02 -1.9351E+03
CT             559   12.011000    0.145000
  1.7534E+01 -1.6615E+01  1.2733E+01
  3.2175E+00  1.0051E+00  9.7336E+00
 -2.2040E+03  9.3080E+02  1.7110E+03
OH             560    0.000000   -0.683000
  1.7464E+01 -1.5213E+01  1.2601E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             561    1.008000    0.418000
  1.6645E+01 -1.4976E+01  1.2193E+01
 -4.5769E+00 -2.1343E+01 -4.4294E+00
 -2.1280E+03 -5.1631E+03  1.5522E+03
HC             562    1.008000    0.040000
  1.8590E+01 -1.6834E+01  1.2895E+01
  3.3570E+00  4.4949E+00  1.3725E+01
 -9.5403E+02 -2.7806E+03  8.2322E+02
HC             563    1.008000    0.040000
  1.7100E+01 -1.7129E+01  1.1875E+01
  3.1767E+00 -8.0142E-01  1.0830E+01
  1.0173E+03 -2.4955E+02 -2.5993E+02
HC             564    1.008000    0.040000
  1.6948E+01 -1.6873E+01  1.3615E+01
  1.5199E+01 -9.5544E+00  1.4941E+01
  8.4631E+02 -1.6552E+03  1.3013E+02
CT             565   12.011000    0.145000
 -1.9226E+01  1.5987E+01  1.2557E+01
  1.4292E+00  2.0680E+00  4.2358E-01
  2.8920E+03  3.4616E+03  7.7997E+02
OH             566    0.000000   -0.683000
 -1.9331E+01  1.5772E+01  1.3946E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             567    1.008000    0.418000
 -1.9590E+01  1.6635E+01  1.4231E+01
  3.9060E+00  9.7892E+00 -2.3750E+01
  6.6413E+02  6.2595E+01 -1.4601E+03
HC             568    1.008000    0.040000
 -1.8399E+01  1.6696E+01  1.2521E+01
  1.1519E+01 -5.4465E+00  3.8824E+01
  8.3710E+02 -3.0241E+03 -1.5641E+03
HC             569    1.008000    0.040000
 -2.0097E+01  1.6472E+01  1.2116E+01
 -3.0779E+00 -1.5513E+01 -1.1067E+01
 -1.2267E+03 -3.2287E+03 -4.5621E+02
HC             570    1.008000    0.040000
 -1.9073E+01  1.4957E+01  1.2237E+01
 -1.8295E+01  5.7656E+00 -2.4072E+01
  6.8445E+02  2.4672E+03 -4.9141E+03
CT             571   12.011000    0.145000
  2.1071E+00  9.8767E+00 -1.5014E+01
 -4.1769E+00  7.2831E-02 -7.1870E-01
 -6.2019E+03  1.9525E+01 -8.2183E+02
OH             572    0.000000   -0.683000
  2.0740E+00  8.4691E+00 -1.4939E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             573    1.008000    0.418000
  2.6165E+00  8.2611E+00 -1.5685E+01
 -1.2050E+01 -7.8374E-01 -8.8533E+00
  2.0521E+03 -2.6338E+03  2.8395E+03
HC             574    1.008000    0.040000
  1.7380E+00  1.0192E+01 -1.5990E+01
 -1.8038E+00 -5.2401E+00 -3.3751E+00
  6.6961E+02 -2.8316E+02 -5.8879E+02
HC             575    1.008000    0.040000
  3.0880E+00  1.0336E+01 -1.4891E+01
  8.2509E+00 -2.0945E+01 -1.4904E+01
 -9.1798E+02 -1.3366E+03  1.5200E+03
HC             576    1.008000    0.040000
  1.3033E+00  1.0178E+01 -1.4342E+01
 -3.4095E+00  9.2236E+00 -3.7630E+00
  1.9735E+03  2.7183E+03  1.6372E+03
CT             577   12.011000    0.145000
 -1.0885E+01  6.2645E+00  1.9906E+01
 -1.1705E+00  3.2010E+00 -2.7680E+00
 -7.2103E+02  2.7020E+03 -1.4866E+03
OH             578    0.000000   -0.683000
 -1.2147E+01  6.3384E+00 -2.0368E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             579    1.008000    0.418000
 -1.2084E+01  6.7087E+00 -1.9501E+01
 -3.6810E+01 -1.8781E+01  1.2854E+01
 -2.6441E+03 -1.3480E+02 -1.5817E+03
HC             580    1.008000    0.040000
 -1.0373E+01  5.3187E+00  2.0082E+01
  1.3627E+01  1.1077E+01 -1.9009E+00
  7.0896E+02  1.0274E+03  7.2009E+02
HC             581    1.008000    0.040000
 -1.0355E+01  7.1247E+00  2.0314E+01
 -1.5480E+00  4.2835E+00 -4.5470E+00
  2.3464E+03 -1.5062E+03  3.0901E+02
HC             582    1.008000    0.040000
 -1.0876E+01  6.4021E+00  1.8825E+01
  1.8243E+01 -3.1836E+01 -8.5783E+00
 -1.0483E+03 -1.5991E+03  1.0310E+03
CT             583   12.011000    0.145000
  7.6250E+00  1.4892E+01 -1.5261E+01
 -1.8656E+00  8.0027E-01  1.1840E+00
  1.9556E+03  2.0155E+03  8.1662E+02
OH             584    0.000000   -0.683000
  8.0003E+00  1.4112E+01 -1.4147E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             585    1.008000    0.418000
  7.2840E+00  1.4271E+01 -1.3552E+01
 -1.4606E+01  1.4682E+01 -2.0091E+01
  4.8952E+02  2.6600E+03 -1.1849E+03
HC             586    1.008000    0.040000
  8.3675E+00  1.4620E+01 -1.6011E+01
 -2.2778E+00 -3.2319E+00  2.2123E+00
 -2.6309E+03 -9.5181E+01 -2.5363E+03
HC             587    1.008000    0.040000
  7.7498E+00  1.5948E+01 -1.5025E+01
 -2.4862E+00 -4.5218E-01  7.3045E+00
 -9.2229E+02  2.3332E+02  2.0122E+02
HC             588    1.008000    0.040000
  6.5746E+00  1.4657E+01 -1.5433E+01
 -1.3723E+00  1.4305E+00 -2.7866E+00
  7.2663E+02  2.4798E+02 -3.5673E+03
CT             589   12.011000    0.145000
  1.1941E+00 -6.4524E+00  1.9022E+01
 -8.9988E+00  1.0439E+00  1.4664E+00
 -1.7261E+03  1.8792E+02  1.3603E+03
OH             590    0.000000   -0.683000
  1.2177E+00 -7.5583E+00  1.9896E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             591    1.008000    0.418000
  5.6855E-01 -8.1421E+00  1.9534E+01
  6.6881E+00  3.0011E+00 -1.7880E+01
 -4.8418E+02  1.2771E+03 -1.8498E+02
HC             592    1.008000    0.040000
  1.3378E+00 -6.7329E+00  1.7978E+01
 -1.9957E+01 -1.0113E+01  2.7207E+00
 -3.8388E+02 -1.2628E+03  5.9929E+02
HC             593    1.008000    0.040000
  1.8743E+00 -5.6170E+00  1.9187E+01
 -5.8110E-01 -3.1266E+00 -1.0632E+01
  1.6134E+03 -2.1506E+03  2.2073E+03
HC             594    1.008000    0.040000
  2.0765E-01 -5.9918E+00  1.9075E+01
 -1.2818E+01 -5.7919E+00 -7.4706E+00
 -4.9758E+02 -9.1816E+02 -2.3740E+02
CT             595   12.011000    0.145000
  1.3569E+01 -1.2214E+01  1.5194E+01
  2.8169E+00 -2.2290E+00 -4.4184E+00
  4.5316E+03 -4.2876E+03 -3.8562E+03
OH             596    0.000000   -0.683000
  1.2577E+01 -1.3208E+01  1.5070E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             597    1.008000    0.418000
  1.1888E+01 -1.3054E+01  1.5699E+01
  4.9089E+00  2.0145E+01  1.1205E+00
  1.0258E+03  5.5221E+03 -2.8385E+02
HC             598    1.008000    0.040000
  1.3454E+01 -1.1297E+01  1.4616E+01
  2.2581E+01  1.3601E+00 -3.3807E+00
 -1.4898E+03 -2.7126E+02  1.1590E+03
HC             599    1.008000    0.040000
  1.4497E+01 -1.2618E+01  1.4789E+01
  1.7024E+01  1.1017E+01  1.3177E+01
 -6.7296E+02 -2.3765E+02 -9.0721E+02
HC             600    1.008000    0.040000
  1.3896E+01 -1.2030E+01  1.6218E+01
 -4.1084E+00 -3.8583E+00 -1.8599E+00
 -1.7493E+03  2.1264E+02  2.4564E+02
CT             601   12.011000    0.145000
  1.9959E+01  1.8756E-01  1.5788E+01
  9.4243E-01  1.1712E+00  9.2877E-01
 -9.9562E+02  2.9400E+03  1.9837E+03
OH             602    0.000000   -0.683000
  1.9832E+01 -6.2221E-01  1.6935E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             603    1.008000    0.418000
  1.9016E+01 -1.0709E+00  1.6771E+01
 -2.0833E+00  4.4990E+00 -2.1300E+00
  1.4091E+03 -2.8567E+03  1.6070E+03
HC             604    1.008000    0.040000
 -2.0114E+01  8.9395E-01  1.5858E+01
  4.4764E+00 -4.6251E+00  3.4354E+01
  2.8686E+02 -1.6320E+03  1.9957E+03
HC             605    1.008000    0.040000
  1.9102E+01  8.6089E-01  1.5761E+01
  1.6111E+01  2.1475E+01  2.1070E+00
  1.1806E+02 -5.8015E+02 -5.6840E+02
HC             606    1.008000    0.040000
  1.9973E+01 -3.2681E-01  1.4827E+01
 -2.2516E+01 -5.0665E+00  3.3039E+00
 -4.5297E+02 -1.4280E+03  1.5980E+03
CT             607   12.011000    0.145000
  4.8223E+00  1.1696E+01  7.9827E+00
  3.8293E+00  4.2258E-01  6.2484E+00
 -6.9005E+02  3.2210E+03 -2.4682E+03
OH             608    0.000000   -0.683000
  3.6751E+00  1.2179E+01  8.6445E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             609    1.008000    0.418000
  3.8933E+00  1.1926E+01  9.5283E+00
  6.2573E+00 -2.6359E+01 -8.2007E+00
 -1.6879E+03  1.9544E+03 -2.2361E+02
HC             610    1.008000    0.040000
  5.0079E+00  1.0661E+01  7.6934E+00
 -2.3401E+01 -1.7792E+00 -6.4787E+00
 -4.7484E+03 -9.0207E+02  3.1715E+03
HC             611    1.008000    0.040000
  5.7083E+00  1.2020E+01  8.5285E+00
  5.1847E-01  7.8987E+00  7.3039E+00
  7.9136E+01  2.1974E+03 -1.6303E+03
HC             612    1.008000    0.040000
  4.6738E+00  1.2121E+01  6.9902E+00
 -6.1832E+00 -7.1285E+00  4.3499E+00
  3.0618E+03  1.3854E+03  1.5172E+02
CT             613   12.011000    0.145000
  2.3688E+00 -1.5642E+01 -1.9917E+01
  8.1307E-01 -2.6808E+00 -5.6295E-01
  1.5274E+03  8.5630E+02  1.1359E+03
OH             614    0.000000   -0.683000
  1.7802E+00 -1.6071E+01 -1.8709E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             615    1.008000    0.418000
  1.0274E+00 -1.5550E+01 -1.8474E+01
  1.0389E+01  1.0147E+01  1.2344E+01
  9.8602E+02  1.6448E+03 -2.0859E+03
HC             616    1.008000    0.040000
  1.9720E+00 -1.4751E+01 -2.0404E+01
 -2.4007E+01 -1.1358E+01  2.3488E+00
 -3.5703E+03 -5.4679E+02  2.6484E+03
HC             617    1.008000    0.040000
  2.4102E+00 -1.6386E+01  2.0188E+01
  1.6129E+01  4.7101E+00 -7.0960E+00
 -3.9018E+02 -6.0024E+02  1.2244E+03
HC             618    1.008000    0.040000
  3.4092E+00 -1.5395E+01 -1.9705E+01
  3.4009E+00 -2.4843E+01  1.6154E+01
 -1.4822E+02 -1.7643E+03  8.4209E+02
CT             619   12.011000    0.145000
  1.9108E+01 -7.7098E-01  1.0869E+01
 -1.2361E-01  4.5098E-01 -4.3025E-01
  5.1078E+03 -7.9865E+01 -2.8282E+03
OH             620    0.000000   -0.683000
  1.8607E+01 -1.7504E+00  9.9872E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             621    1.008000    0.418000
  1.7954E+01 -1.3010E+00  9.4724E+00
  1.9308E+01  2.1204E+01 -7.6819E+00
 -7.1064E+02 -1.4179E+03  1.8627E+03
HC             622    1.008000    0.040000
  1.8404E+01 -1.8031E-01  1.1455E+01
  2.0074E+01 -2.0199E+00  2.8468E+01
  1.0973E+03 -2.0754E+02 -1.5507E+03
HC             623    1.008000    0.040000
  1.9714E+01 -2.9510E-01  1.0098E+01
 -1.3780E+01 -2.1072E+01 -2.6151E+01
 -2.2830E+03  3.8955E+03  2.4299E+03
HC             624    1.008000    0.040000
  1.9864E+01 -1.1612E+00  1.1551E+01
 -4.4349E+00 -2.4857E+00  2.7191E+00
 -1.7653E+03 -1.1200E+03  1.5818E+03
CT             625   12.011000    0.145000
  1.2858E+01  9.3167E+00 -1.4451E+01
 -5.5999E+00  2.0030E+00 -1.4796E+00
  5.1109E+02 -2.3585E+03 -3.6313E+03
OH             626    0.000000   -0.683000
  1.3437E+01  1.0374E+01 -1.5184E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             627    1.008000    0.418000
  1.4337E+01  1.0143E+01 -1.5358E+01
 -5.5797E+00 -2.8061E+01  3.4807E+00
 -8.0852E+02 -1.4361E+03  1.4375E+03
HC             628    1.008000    0.040000
  1.3182E+01  8.4348E+00 -1.5004E+01
 -1.3547E+01 -1.6725E+01  2.1988E+01
 -1.2700E+03 -1.7385E+03  2.4341E+03
HC             629    1.008000    0.040000
  1.1781E+01  9.4671E+00 -1.4513E+01
 -3.9531E+00  2.2574E+01  1.0626E+01
  2.9794E+02 -1.0081E+03  2.0313E+03
HC             630    1.008000    0.040000
  1.3228E+01  9.2344E+00 -1.3429E+01
 -1.1022E+01 -1.8839E+01 -7.4256E-01
 -6.3041E+02 -5.5889E+02 -5.0622E+02
CT             631   12.011000    0.145000
 -1.2553E+01 -5.3880E+00  1.7834E+01
  2.2062E-01 -1.9727E+00 -1.8012E+00
 -1.6381E+03  8.1784E+02  2.8931E+03
OH             632    0.000000   -0.683000
 -1.3633E+01 -4.8432E+00  1.7109E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             633    1.008000    0.418000
 -1.4290E+01 -4.8718E+00  1.7788E+01
 -1.2032E-01 -9.8190E+00 -3.8843E-01
 -9.6166E+02  2.9974E+03 -1.1510E+03
HC             634    1.008000    0.040000
 -1.1547E+01 -5.2707E+00  1.7432E+01
 -7.9445E+00 -4.9044E+00 -2.4536E+01
 -1.3072E+03 -1.8620E+02 -1.8113E+03
HC             635    1.008000    0.040000
 -1.2805E+01 -6.3912E+00  1.8178E+01
 -1.5837E+01  6.3223E+00  1.2157E+01
  1.2109E+03 -3.1612E+02 -2.1407E+03
HC             636    1.008000    0.040000
 -1.2617E+01 -4.8231E+00  1.8764E+01
  1.7780E+00  1.6127E+01 -1.2216E+01
  2.8926E+03  6.4530E+02 -3.0433E+02
CT             637   12.011000    0.145000
 -1.2191E+01  9.7496E+00 -4.4117E+00
  2.4446E+00  2.3957E+00 -2.1569E+00
 -1.3674E+03  6.7251E+01  3.0658E+03
OH             638    0.000000   -0.683000
 -1.3309E+01  1.0490E+01 -4.8490E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             639    1.008000    0.418000
 -1.3634E+01  1.0933E+01 -4.0804E+00
 -1.8216E+01  9.5644E+00 -1.2464E+01
 -1.2931E+03  3.6188E+03 -2.9600E+03
HC             640    1.008000    0.040000
 -1.2596E+01  9.0973E+00 -3.6381E+00
  5.9055E+00 -2.1111E+01 -1.9065E+01
  1.3577E+03  4.7466E+02  2.7766E+02
HC             641    1.008000    0.040000
 -1.1348E+01  1.0310E+01 -4.0091E+00
  1.3903E+01 -1.4683E+01 -1.3319E+00
 -2.1868E+03  1.7243E+03  5.8437E+02
HC             642    1.008000    0.040000
 -1.1585E+01  9.0506E+00 -4.9881E+00
  1.8068E+01  1.7632E+01 -5.0531E+00
 -3.9260E+03  1.2894E+03 -4.1469E+03
CT             643   12.011000    0.145000
 -6.8700E+00 -1.4744E+00 -1.4474E+01
 -1.0190E+00 -5.0171E+00  1.0426E+00
 -1.0073E+03  4.2957E+03 -8.4773E+01
OH             644    0.000000   -0.683000
 -7.5955E+00 -1.5720E+00 -1.5679E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             645    1.008000    0.418000
 -7.9108E+00 -2.4628E+00 -1.5677E+01
  1.4659E+00 -2.0479E+00 -3.5942E+01
 -2.7580E+02  1.2794E+03 -1.9104E+03
HC             646    1.008000    0.040000
 -6.3104E+00 -5.4023E-01 -1.4523E+01
  9.3433E+00 -1.1451E+01 -8.1290E+00
  3.1777E+03 -1.6798E+03 -3.2156E+02
HC             647    1.008000    0.040000
 -6.2195E+00 -2.3428E+00 -1.4371E+01
  2.1569E+01  1.0007E+01 -7.1263E+00
  6.9528E+02  1.9585E+03  1.6561E+03
HC             648    1.008000    0.040000
 -7.4827E+00 -1.2164E+00 -1.3610E+01
 -5.8292E+00 -4.8334E+00 -2.3837E+00
 -1.7082E+03 -4.0703E+03  1.0315E+02
CT             649   12.011000    0.145000
  9.9832E+00  2.9259E+00  1.5419E+01
 -4.3563E+00 -1.6132E+00  2.2807E-01
 -2.3705E+03 -3.4895E+03 -9.3118E+01
OH             650    0.000000   -0.683000
  1.0134E+01  2.7297E+00  1.6807E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             651    1.008000    0.418000
  1.0904E+01  3.2296E+00  1.7031E+01
 -9.3915E+00  1.2846E+01  4.8599E+00
 -5.7716E+02 -1.1629E+03  3.3452E+03
HC             652    1.008000    0.040000
  9.0483E+00  2.3884E+00  1.5260E+01
 -8.6949E+00  3.3070E+00  8.4212E+00
  2.0947E+02  1.7157E+02 -2.6580E+03
HC             653    1.008000    0.040000
  1.0832E+01  2.4138E+00  1.4966E+01
  3.5481E+00 -1.2824E+01  2.5881E+01
 -8.2043E+02  1.6725E+03 -1.0224E+03
HC             654    1.008000    0.040000
  9.8132E+00  3.9514E+00  1.5091E+01
 -2.6906E+01 -2.5085E+00  7.4072E+00
  1.1853E+03 -4.0731E+02  9.5227E+02
CT             655   12.011000    0.145000
  7.9439E+00 -1.2263E+01 -5.8622E+00
 -1.4068E+00  3.9769E+00 -1.0091E+00
  7.0916E+02  8.9424E+02 -4.6862E+03
OH             656    0.000000   -0.683000
  6.6836E+00 -1.2799E+01 -6.1979E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             657    1.008000    0.418000
  6.1689E+00 -1.2079E+01 -5.8671E+00
  1.1276E+01  8.5783E+00 -5.2089E-01
 -1.0454E+03 -5.8226E+02 -1.1830E+03
HC             658    1.008000    0.040000
  7.9215E+00 -1.1204E+01 -5.6082E+00
 -3.9207E+00  9.5866E+00 -2.2646E+01
 -2.3227E+03 -1.1258E+03  1.6164E+03
HC             659    1.008000    0.040000
  8.5046E+00 -1.2152E+01 -6.7902E+00
 -2.9783E+01 -1.0171E+01 -2.1386E+01
 -1.5016E+03 -2.1327E+03 -3.6673E+02
HC             660    1.008000    0.040000
  8.5947E+00 -1.2800E+01 -5.1721E+00
 -6.1873E-02 -2.9424E-01 -5.5428E+00
 -2.4799E+03 -1.5907E+03  6.1161E+02
CT             661   12.011000    0.145000
 -6.4565E+00  1.3746E+01  1.3098E+01
  6.6480E-01 -3.2986E-01  2.6205E+00
 -1.2371E+03  1.6811E+03 -5.9591E+03
OH             662    0.000000   -0.683000
 -5.1174E+00  1.3508E+01  1.2725E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             663    1.008000    0.418000
 -5.1718E+00  1.3000E+01  1.1931E+01
 -2.9780E+01 -1.7634E+01  1.1650E+01
 -9.2468E+02  3.5490E+03 -2.9063E+02
HC             664    1.008000    0.040000
 -6.9542E+00  1.4465E+01  1.2447E+01
  1.4052E+01 -9.6955E+00 -1.9110E+01
  2.4853E+03 -6.7625E+02 -2.7637E+03
HC             665    1.008000    0.040000
 -6.6730E+00  1.4163E+01  1.4081E+01
  1.8510E+01 -3.1835E+01  2.1601E+01
  2.2382E+03 -5.0652E+03  1.4216E+03
HC             666    1.008000    0.040000
 -6.9480E+00  1.2822E+01  1.2792E+01
 -2.2285E+01  8.3546E+00  1.1071E+01
 -3.2305E+03  4.2087E+02  4.5925E+03
CT             667   12.011000    0.145000
 -1.5571E+01  7.3281E-02 -1.2551E+01
  1.2190E+00  2.1228E-01  3.2386E+00
 -3.0948E+03 -3.2816E+03  3.5887E+02
OH             668    0.000000   -0.683000
 -1.4611E+01 -9.1431E-01 -1.2851E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             669    1.008000    0.418000
 -1.4002E+01 -9.0619E-01 -1.2129E+01
  1.6495E+01  2.9877E+00 -1.3309E+01
 -1.0380E+03 -1.0161E+03  1.2141E+02
HC             670    1.008000    0.040000
 -1.6169E+01 -1.0848E-01 -1.1658E+01
  3.8246E+00 -9.4391E+00  3.1308E+00
  1.6520E+03 -2.8535E+03  7.8195E+02
HC             671    1.008000    0.040000
 -1.6344E+01 -3.8343E-02 -1.3311E+01
 -1.5823E+00 -1.8096E+01  8.2881E+00
  8.9467E+02  2.1779E+03 -7.2086E+02
HC             672    1.008000    0.040000
 -1.5252E+01  1.1016E+00 -1.2381E+01
  5.9483E-01  2.0436E+00 -6.1538E+00
  2.5976E+03 -7.3967E+02 -2.7209E+03
CT             673   12.011000    0.145000
 -1.4959E+01 -1.9655E+01 -3.6277E+00
  1.4342E+00  4.5122E-01 -2.6344E+00
 -1.0475E+04 -5.1198E+03 -9.8172E+02
OH             674    0.000000   -0.683000
 -1.4364E+01  1.9971E+01 -3.5189E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             675    1.008000    0.418000
 -1.4919E+01  1.9220E+01 -3.6629E+00
 -8.1649E+00  3.8768E+00  9.9777E+00
 -3.7440E+03  2.7354E+03  4.5564E+02
HC             676    1.008000    0.040000
 -1.5637E+01 -1.9628E+01 -4.4808E+00
 -1.8718E+01 -7.5740E+00  1.2318E+01
  4.7327E+02 -1.7376E+03 -2.7720E+02
HC             677    1.008000    0.040000
 -1.4484E+01 -1.8674E+01 -3.6045E+00
  9.9317E+00 -3.3955E+00 -8.4209E+00
  6.1911E+03 -3.6513E+03 -3.7344E+03
HC             678    1.008000    0.040000
 -1.5640E+01 -1.9529E+01 -2.7862E+00
  3.2585E+00 -3.2167E+01  5.0553E+00
 -7.3875E+02 -3.2894E+03 -4.8019E+02
CT             679   12.011000    0.145000
 -6.7982E+00 -1.7902E+01 -1.2297E+01
 -1.0675E+00  2.4904E+00  4.7083E+00
  7.2794E+02 -1.3972E+03 -3.2792E+03
OH             680    0.000000   -0.683000
 -6.5042E+00 -1.6659E+01 -1.2894E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             681    1.008000    0.418000
 -6.8710E+00 -1.6466E+01 -1.3743E+01
  1.9604E+00 -9.0817E+00 -3.0230E+00
 -4.0030E+03 -4.7268E+03  7.0365E+02
HC             682    1.008000    0.040000
 -6.4064E+00 -1.8748E+01 -1.2862E+01
  2.1710E+01 -3.4748E+00  2.7546E+01
  1.6886E+03  1.3155E+03  3.4378E+02
HC             683    1.008000    0.040000
 -7.8281E+00 -1.8225E+01 -1.2144E+01
 -2.3065E+00 -3.0132E+00 -1.3051E+01
 -6.6725E+02  3.7858E+03 -6.3891E+01
HC             684    1.008000    0.040000
 -6.3051E+00 -1.7925E+01 -1.1325E+01
 -2.1685E+01 -1.2242E+01  1.5604E+01
 -6.3821E+02 -9.7081E+02 -6.3755E+02
CT             685   12.011000    0.145000
 -6.8278E+00 -1.2183E+01  7.8064E+00
  2.4129E+00  3.1562E+00 -1.9935E+00
 -1.0767E+03 -1.5180E+03  3.3641E+03
OH             686    0.000000   -0.683000
 -5.6886E+00 -1.3010E+01  7.8860E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             687    1.008000    0.418000
 -5.0914E+00 -1.2604E+01  7.2763E+00
 -5.4494E-01  2.5962E-02 -5.1843E-01
 -6.7932E+02 -1.0775E+03 -1.3779E+03
HC             688    1.008000    0.040000
 -6.4392E+00 -1.1196E+01  8.0545E+00
 -9.4135E+00  6.2230E+00  5.1321E+00
 -3.0207E+03  1.2360E+03 -9.8274E+02
HC             689    1.008000    0.040000
 -7.5089E+00 -1.2490E+01  8.6004E+00
 -1.6538E+01  2.2861E+01 -9.6353E+00
 -9.4304E+02  1.1183E+03 -7.5490E+02
HC             690    1.008000    0.040000
 -7.3075E+00 -1.2227E+01  6.8286E+00
  1.3678E+01  3.0181E+01 -9.6730E+00
  6.7341E+02  1.5586E+03  5.7068E+02
CT             691   12.011000    0.145000
  1.3932E+01  1.3177E+01  1.6001E+01
  2.6487E+00 -4.7387E+00  3.8770E+00
 -4.0937E+03 -1.6330E+03  4.8389E+03
OH             692    0.000000   -0.683000
  1.3289E+01  1.2191E+01  1.5224E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             693    1.008000    0.418000
  1.3611E+01  1.1333E+01  1.5453E+01
  4.2473E+00  4.1110E+00  1.0033E+01
  2.0730E+03  1.0639E+03  8.0081E+02
HC             694    1.008000    0.040000
  1.3531E+01  1.4166E+01  1.5780E+01
  3.4501E+01  5.6600E+00 -1.3849E+01
  2.8085E+03 -2.3629E+02 -1.4869E+03
HC             695    1.008000    0.040000
  1.5020E+01  1.3224E+01  1.5962E+01
  2.5285E+00  3.5866E+01  7.2100E+00
 -1.7928E+03  1.1890E+03 -5.1308E+02
HC             696    1.008000    0.040000
  1.3526E+01  1.2988E+01  1.6995E+01
 -3.8125E+01 -2.9139E+00 -1.0538E+01
  2.3098E+03  1.6640E+02 -7.3651E+02
CT             697   12.011000    0.145000
 -9.4940E+00  6.2577E+00 -4.6082E+00
  1.5254E+00 -1.1924E+00 -2.9864E-01
 -1.8991E+03  1.5997E+03  1.4661E+03
OH             698    0.000000   -0.683000
 -8.6353E+00  7.3745E+00 -4.6680E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             699    1.008000    0.418000
 -7.9430E+00  7.0577E+00 -5.2278E+00
 -2.2687E+00  2.9784E+00 -4.5542E+00
  1.3106E+03  5.7145E+02  1.4298E+03
HC             700    1.008000    0.040000
 -9.6769E+00  5.7985E+00 -5.5796E+00
 -1.6136E+01  1.1407E+01 -3.4222E+00
 -3.0304E+02  1.4065E+03 -2.7890E+01
HC             701    1.008000    0.040000
 -1.0489E+01  6.5451E+00 -4.2694E+00
 -8.9717E+00 -4.2923E+00 -2.6181E+01
  2.6247E+02  7.9128E+02 -1.2233E+03
HC             702    1.008000    0.040000
 -9.1843E+00  5.4849E+00 -3.9046E+00
  2.2566E+01  1.5055E+01  9.4229E+00
  2.5902E+03  1.2509E+03 -6.4536E+02
CT             703   12.011000    0.145000
 -1.3728E+01  1.4315E+01  3.0453E+00
  4.0331E+00  2.5241E+00 -2.0115E+00
 -1.3909E+03  6.7683E+02  2.0549E+03
OH             704    0.000000   -0.683000
 -1.4613E+01  1.5157E+01  2.3411E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             705    1.008000    0.418000
 -1.5314E+01  1.4698E+01  1.9026E+00
 -6.8134E+00  7.5430E+00  2.7490E+00
  4.8525E+02 -3.7677E+03  3.7412E+03
HC             706    1.008000    0.040000
 -1.3173E+01  1.3570E+01  2.4749E+00
  3.6797E+00 -1.0168E+01  1.3501E+01
 -1.4094E+03  4.3295E+02 -7.2976E+02
HC             707    1.008000    0.040000
 -1.4286E+01  1.3783E+01  3.8163E+00
  1.1998E+00  3.5869E+00 -3.3138E+00
 -5.5758E+02 -1.0882E+03 -9.4971E+02
HC             708    1.008000    0.040000
 -1.3009E+01  1.4886E+01  3.6325E+00
  1.0116E+00  3.2487E+00  1.0141E+00
  3.4495E+02  8.1869E+02 -1.2098E+03
CT             709   12.011000    0.145000
 -8.9847E+00  6.6340E+00 -1.2737E+00
 -2.7044E+00 -8.1952E-01  2.1338E+00
 -4.3282E+03 -5.8171E+02  5.2349E+03
OH             710    0.000000   -0.683000
 -8.2587E+00  5.5289E+00 -7.8392E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             711    1.008000    0.418000
 -8.7036E+00  5.0218E+00 -1.2219E-01
 -1.3594E+01  2.5884E+01  1.2215E+01
 -4.5262E+03  4.3550E+03 -3.2343E+02
HC             712    1.008000    0.040000
 -9.3731E+00  7.3120E+00 -5.1374E-01
 -3.2624E+01 -1.1301E+01 -2.4579E+00
  4.6903E+03  4.0685E+02  3.6864E+02
HC             713    1.008000    0.040000
 -1.0003E+01  6.4698E+00 -1.6254E+00
 -7.2697E-01  4.9801E+00 -6.6259E+00
  1.4364E+03 -3.5534E+03 -2.7933E+03
HC             714    1.008000    0.040000
 -8.3767E+00  7.0916E+00 -2.0541E+00
 -4.1648E+00  4.4108E+00  4.0199E+00
 -1.2599E+03  1.9623E+03  9.1015E+02
CT             715   12.011000    0.145000
 -1.4606E+01  2.3319E+00 -9.0909E+00
 -7.2779E-01 -4.4647E-02 -3.1222E-01
  9.4240E+02 -1.3822E+03 -2.7044E+03
OH             716    0.000000   -0.683000
 -1.4779E+01  1.0612E+00 -8.5048E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             717    1.008000    0.418000
 -1.5658E+01  1.1637E+00 -8.1724E+00
  7.8878E+00  3.8636E+00  2.1251E+01
  6.0519E+02 -3.0719E+03  1.0650E+03
HC             718    1.008000    0.040000
 -1.3581E+01  2.5670E+00 -9.3762E+00
 -2.4531E+00  1.9276E+01  7.8539E+00
  1.8345E+02  1.0243E+03  2.1246E+03
HC             719    1.008000    0.040000
 -1.5061E+01  3.0946E+00 -8.4589E+00
  6.1669E+00  5.4475E+00 -1.8486E+00
  2.1456E+03  9.7271E+02 -7.1151E+01
HC             720    1.008000    0.040000
 -1.5121E+01  2.3365E+00 -1.0052E+01
  1.3817E+01  8.5707E+00 -8.4305E+00
  5.6468E+02  4.4742E+02 -1.6175E+02
CT             721   12.011000    0.145000
 -7.3970E+00 -1.2008E+01 -1.7375E+01
 -2.4095E+00 -4.2782E+00  3.7471E+00
  2.7111E+03  6.0763E+03 -3.7355E+03
OH             722    0.000000   -0.683000
 -6.2982E+00 -1.1856E+01 -1.6505E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             723    1.008000    0.418000
 -6.8045E+00 -1.2003E+01 -1.5721E+01
  9.8482E+00 -5.5333E+00  5.5244E+00
  4.0316E+03  2.7782E+02  2.6620E+03
HC             724    1.008000    0.040000
 -7.1118E+00 -1.1865E+01 -1.8418E+01
 -6.4727E+00  1.6169E+01  5.0389E+00
  1.3214E+03  1.9423E+02  4.0588E+02
HC             725    1.008000    0.040000
 -7.9727E+00 -1.1116E+01 -1.7131E+01
  3.4707E+00 -4.7813E+00  2.0717E+01
 -1.3820E+03 -8.8566E+02 -5.9855E+02
HC             726    1.008000    0.040000
 -8.1162E+00 -1.2827E+01 -1.7376E+01
 -2.0214E+01  1.0688E+01  5.8369E+00
  2.3077E+03 -3.9445E+02  3.2054E+03
CT             727   12.011000    0.145000
  2.0990E+00  1.1296E+01  5.4826E+00
  5.7982E+00 -1.2677E+00 -8.2632E-01
  2.6370E+03  2.2139E+03  1.2745E+02
OH             728    0.000000   -0.683000
  1.9848E+00  1.1683E+01  4.1316E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             729    1.008000    0.418000
  2.0404E+00  1.0865E+01  3.6608E+00
  1.2227E+01 -7.0635E+00  1.2927E+01
 -2.7636E+03  4.0858E+02  8.3731E+01
HC             730    1.008000    0.040000
  1.2556E+00  1.0671E+01  5.7759E+00
 -1.6166E+00  1.2268E+01  7.7721E+00
 -6.5052E+02  1.0132E+03 -1.8112E+03
HC             731    1.008000    0.040000
  2.0823E+00  1.2207E+01  6.0800E+00
  2.4648E+01 -1.2497E+00  2.6742E-01
  1.2220E+03 -7.6644E+02  1.0141E+03
HC             732    1.008000    0.040000
  3.0432E+00  1.0764E+01  5.5999E+00
  1.2374E+01  8.0526E+00 -9.7365E+00
  3.1507E+01  6.0609E+02  1.3088E+03
CT             733   12.011000    0.145000
  8.6721E+00 -1.8308E+01 -1.0775E+01
  2.2300E+00 -1.6411E+00 -1.7831E+00
  2.2363E+03 -1.6799E+03 -1.9248E+03
OH             734    0.000000   -0.683000
  7.6498E+00 -1.9132E+01 -1.1290E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             735    1.008000    0.418000
  7.0414E+00 -1.8562E+01 -1.1735E+01
  5.4902E+00  4.2796E-01 -7.1367E+00
 -3.5203E+02 -9.9772E+02 -6.2384E+02
HC             736    1.008000    0.040000
  9.3861E+00 -1.8989E+01 -1.0313E+01
 -2.8668E+00 -5.4110E+00  6.2969E-01
 -3.2873E+02  1.1452E+03  2.4275E+03
HC             737    1.008000    0.040000
  8.2828E+00 -1.7584E+01 -1.0060E+01
 -2.5012E+01 -3.5003E+01  2.0457E+01
  6.6011E+02 -2.2033E+03 -9.2223E+02
HC             738    1.008000    0.040000
  9.2062E+00 -1.7929E+01 -1.1647E+01
 -2.1596E+01 -1.5562E+01 -2.3876E+01
 -1.6639E+03  1.4666E+03  8.6875E+02
CT             739   12.011000    0.145000
 -9.0483E+00  1.0769E+01  1.0077E+01
  3.1237E+00 -3.4358E+00 -3.5004E+00
  3.0183E+03 -2.7825E+03 -2.1136E+02
OH             740    0.000000   -0.683000
 -9.9100E+00  9.6935E+00  1.0373E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             741    1.008000    0.418000
 -1.0122E+01  9.7509E+00  1.1292E+01
 -7.9860E+00  3.9046E+01 -2.5402E+00
  1.6068E+03  1.0940E+03 -1.3141E+03
HC             742    1.008000    0.040000
 -8.9046E+00  1.1374E+01  1.0972E+01
 -2.5570E+01  5.1839E+00 -3.7086E+00
 -7.4278E+02  1.0983E+03 -1.5976E+03
HC             743    1.008000    0.040000
 -9.4767E+00  1.1300E+01  9.2264E+00
 -1.9212E+01 -8.9916E+00  3.6007E+00
  2.2941E+02  9.5331E+02  1.4119E+03
HC             744    1.008000    0.040000
 -8.0831E+00  1.0356E+01  9.7850E+00
  1.9789E+01  1.9775E+01  1.4778E+01
  4.8534E+01  1.2893E+03  5.5597E+02
CT             745   12.011000    0.145000
 -1.9636E+01 -9.5407E+00 -7.0762E+00
 -2.7368E+00 -4.5551E+00 -2.5744E+00
  1.2799E+03  3.5109E+03  2.9092E+03
OH             746    0.000000   -0.683000
 -1.9131E+01 -1.0400E+01 -6.0789E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             747    1.008000    0.418000
 -1.9060E+01 -1.1162E+01 -6.6339E+00
  5.6991E+00 -3.3660E-01  1.1208E+00
  6.3633E+01 -2.2056E+03  3.1143E+03
HC             748    1.008000    0.040000
 -1.9260E+01 -8.5679E+00 -6.7584E+00
 -1.9875E+01  4.0694E+00 -7.4970E+00
 -1.0380E+03  1.3176E+03 -2.3179E+03
HC             749    1.008000    0.040000
  2.0180E+01 -9.4357E+00 -7.1032E+00
 -1.7205E+00  5.4685E+00 -1.0513E+01
  2.0839E+02 -5.8126E+02  1.0838E+02
HC             750    1.008000    0.040000
 -1.9280E+01 -9.8355E+00 -8.0634E+00
  1.6277E+00 -2.0788E+01  3.5219E+00
  5.8748E+02  1.1066E+03  5.4051E+02
CT             751   12.011000    0.145000
  1.7810E+00  1.1151E+01 -4.3311E+00
 -1.5883E+00  2.2891E+00 -6.0443E-01
 -1.8512E+03 -2.9196E+03 -4.7859E+03
OH             752    0.000000   -0.683000
  2.8433E+00  1.1684E+01 -5.0896E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             753    1.008000    0.418000
  2.9308E+00  1.2487E+01 -4.5984E+00
  1.7912E+01 -3.3605E+00  2.9941E+00
  4.3147E+03  7.9425E+02 -2.3143E+03
HC             754    1.008000    0.040000
  1.1493E+00  1.1951E+01 -3.9443E+00
 -1.7396E+01 -1.5930E+01  1.3250E+01
  5.3282E+02 -1.4588E+03  1.5868E+03
HC             755    1.008000    0.040000
  2.0123E+00  1.0360E+01 -3.6173E+00
 -9.9190E+00  1.5329E+00  1.3608E+00
  1.6138E+03  2.5963E+03  1.9528E+03
HC             756    1.008000    0.040000
  1.1270E+00  1.0565E+01 -4.9767E+00
 -1.1770E+00  3.5361E+00 -2.1595E+00
 -1.4118E+03  1.1601E+03 -3.9447E+02
CT             757   12.011000    0.145000
 -1.5323E+01 -1.2912E+01  1.1633E+01
 -3.7894E+00  2.6621E+00 -5.4136E+00
  2.7471E+03 -4.5304E+03  3.1117E+03
OH             758    0.000000   -0.683000
 -1.4171E+01 -1.2942E+01  1.0822E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             759    1.008000    0.418000
 -1.3746E+01 -1.3785E+01  1.0810E+01
 -1.9702E+01 -1.0629E+01 -1.7310E+01
 -1.3733E+03  3.8548E+02  3.0095E+03
HC             760    1.008000    0.040000
 -1.6325E+01 -1.3214E+01  1.1327E+01
 -1.4337E+01  2.0835E+01  9.0740E+00
  1.8755E+03  1.4787E+02 -2.7454E+03
HC             761    1.008000    0.040000
 -1.5431E+01 -1.1988E+01  1.2200E+01
  5.6373E+00 -1.7224E+00  3.8773E+00
  5.5724E+02  1.2224E+02 -9.1883E+02
HC             762    1.008000    0.040000
 -1.5009E+01 -1.3696E+01  1.2322E+01
 -4.2109E+00 -3.3122E-01 -8.6003E+00
 -1.7359E+03  7.8359E+02  2.3724E+03
CT             763   12.011000    0.145000
  9.4021E-01 -4.9148E+00  5.1380E+00
 -3.3822E+00  5.3944E-02 -9.7184E-01
  1.1499E+03  1.2108E+02  4.4924E+02
OH             764    0.000000   -0.683000
  5.5432E-01 -4.9069E+00  6.4941E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             765    1.008000    0.418000
 -2.1861E-01 -5.4490E+00  6.5357E+00
  1.3998E+01 -2.0947E+01  2.5422E+00
  1.8292E+02  1.2058E+03  1.5994E+03
HC             766    1.008000    0.040000
  1.8616E+00 -4.3420E+00  5.2439E+00
  1.4192E+00 -8.4078E+00  4.1621E+00
  7.7899E+02 -6.6743E+02 -4.2349E+03
HC             767    1.008000    0.040000
  2.3013E-01 -4.4519E+00  4.4527E+00
  2.6773E+00  1.4951E+01  2.4182E+00
  3.3519E+02  1.3306E+03  9.4599E+02
HC             768    1.008000    0.040000
  1.1205E+00 -5.9292E+00  4.7824E+00
  7.5087E+00  5.2391E+00 -1.0929E+01
  1.5699E+03  3.9902E+02  1.9645E+02
CT             769   12.011000    0.145000
 -1.6291E+01 -1.4224E+01 -5.1861E+00
 -6.8493E+00  1.5319E+00  1.8389E-01
 -2.9922E+03  3.5230E+03  1.0424E+03
OH             770    0.000000   -0.683000
 -1.6182E+01 -1.3617E+01 -6.4540E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             771    1.008000    0.418000
 -1.5285E+01 -1.3876E+01 -6.6005E+00
 -2.4520E+00 -1.2625E+01  5.8828E+00
 -7.8241E+02  6.1421E+02 -3.5794E+03
HC             772    1.008000    0.040000
 -1.5400E+01 -1.4846E+01 -5.0978E+00
 -1.4631E+00  8.6462E+00 -3.1130E+00
 -1.6315E+03 -1.3312E+03  5.1342E+02
HC             773    1.008000    0.040000
 -1.7251E+01 -1.4730E+01 -5.0754E+00
 -5.9986E+00 -4.5039E+00 -1.6991E+01
  8.2181E+02 -1.4282E+03 -6.9690E+02
HC             774    1.008000    0.040000
 -1.6231E+01 -1.3472E+01 -4.4001E+00
  1.2459E+01  6.0453E+00 -5.0765E+00
  1.4022E+03  6.1176E+02 -6.9896E+02
CT             775   12.011000    0.145000
  1.7724E+00  4.6172E+00 -1.1239E+01
  2.4557E-02  2.8728E+00 -5.7856E-01
 -2.8939E+03 -1.6009E+03 -2.4669E+03
OH             776    0.000000   -0.683000
  7.8142E-01  4.8205E+00 -1.0257E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             777    1.008000    0.418000
  1.1775E+00  4.8401E+00 -9.3989E+00
 -4.1360E+00  1.3512E+01  1.8384E+00
  4.1132E+03  1.0028E+03 -2.2489E+03
HC             778    1.008000    0.040000
  1.2261E+00  4.6017E+00 -1.2182E+01
  1.2229E+00 -7.3553E+00 -1.2171E+00
  1.3386E+03  6.2099E+02 -9.9141E+02
HC             779    1.008000    0.040000
  2.1361E+00  3.5976E+00 -1.1112E+01
  2.9950E-01  3.3672E+00  2.6930E+00
  2.0336E+03  7.2378E+02  4.0306E+01
HC             780    1.008000    0.040000
  2.5710E+00  5.3590E+00 -1.1238E+01
  8.5422E+00 -5.8987E+00  1.2181E+01
 -9.1497E+01 -6.3618E+02  6.4858E+02
CT             781   12.011000    0.145000
  1.6737E+01 -2.1466E+00  2.4022E-01
  9.2060E-01 -5.4815E-01  2.5866E-01
  1.2290E+02 -6.4587E+02 -1.2776E+02
OH             782    0.000000   -0.683000
  1.7286E+01 -1.8142E+00 -1.0151E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             783    1.008000    0.418000
  1.7586E+01 -2.5667E+00 -1.5016E+00
  6.7899E+00  1.5531E+00  1.6779E+00
 -2.8591E+03 -5.5280E+02 -5.9125E+02
HC             784    1.008000    0.040000
  1.5848E+01 -2.7429E+00  3.5652E-02
  1.7118E+00 -2.8806E+00  3.5361E+00
 -1.2007E+01 -5.2946E+02  1.4620E+03
HC             785    1.008000    0.040000
  1.6460E+01 -1.1628E+00  6.1909E-01
 -2.7528E+01 -4.6988E+00 -7.4072E+00
 -1.0743E+03 -2.2227E+03  2.6145E+03
HC             786    1.008000    0.040000
  1.7419E+01 -2.7174E+00  8.6979E-01
 -1.7709E+01 -2.9066E+00  1.9466E+01
 -7.5032E+02  7.9117E+02  5.6826E+02
CT             787   12.011000    0.145000
 -7.8270E+00 -1.4110E+01 -1.0793E+01
  2.1576E+00 -1.9107E+00 -3.9534E+00
  1.7651E+03 -9.7328E+02 -1.0792E+03
OH             788    0.000000   -0.683000
 -8.1081E+00 -1.5406E+01 -1.0314E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             789    1.008000    0.418000
 -7.5883E+00 -1.6039E+01 -1.0785E+01
  7.5342E+00 -7.9370E-01  9.0916E+00
  5.3851E+02  1.9949E+03 -1.6544E+03
HC             790    1.008000    0.040000
 -6.9040E+00 -1.4037E+01 -1.1369E+01
  9.3992E+00 -2.2203E+01  4.1892E+00
  3.4826E+03 -3.9790E+03  4.8751E+03
HC             791    1.008000    0.040000
 -7.7384E+00 -1.3440E+01 -9.9377E+00
 -2.0160E+01 -2.9991E+00 -1.9069E-01
 -1.4498E+03  9.2020E+02 -1.1820E+03
HC             792    1.008000    0.040000
 -8.4219E+00 -1.3712E+01 -1.1616E+01
 -2.1652E+01 -5.4172E+00  1.0615E+01
 -4.8197E+03 -1.1695E+03  3.2086E+03
CT             793   12.011000    0.145000
 -4.3105E+00 -8.4944E+00  1.8256E+01
 -7.6480E+00 -7.0416E+00 -6.6968E+00
 -2.0328E+03 -3.7449E+02 -1.8079E+03
OH             794    0.000000   -0.683000
 -4.8318E+00 -7.3319E+00  1.7652E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             795    1.008000    0.418000
 -4.8015E+00 -7.3906E+00  1.6710E+01
  6.3341E+00 -1.4496E+01  8.3911E-01
  3.5205E+03 -3.7533E+03  3.4421E+02
HC             796    1.008000    0.040000
 -4.6370E+00 -8.4257E+00  1.9294E+01
 -5.3571E+00 -1.7888E+01 -5.1368E+00
  3.0381E+02 -2.7570E+03  1.6156E+02
HC             797    1.008000    0.040000
 -3.2235E+00 -8.5756E+00  1.8261E+01
 -7.6269E+00 -8.0329E+00  5.8466E+00
 -2.6929E+02  1.1414E+03 -9.0257E+02
HC             798    1.008000    0.040000
 -4.7397E+00 -9.3496E+00  1.7734E+01
 -1.0033E+01 -8.7788E+00 -1.9504E+00
 -6.6716E+01 -1.2150E+03  1.6990E+03
CT             799   12.011000    0.145000
  3.7326E-01 -1.3950E+00  3.9936E+00
 -6.2164E-01 -7.9869E-01  5.0256E-02
  8.0629E+02  4.7984E+03  1.6809E+03
OH             800    0.000000   -0.683000
 -3.6987E-01 -8.8347E-01  2.9100E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             801    1.008000    0.418000
  2.0052E-01 -5.2691E-01  2.2462E+00
 -2.5770E+01 -6.9894E+00 -2.8171E+01
 -1.2767E+03 -9.2991E+02  5.5603E+02
HC             802    1.008000    0.040000
  9.7410E-01 -6.0553E-01  4.4451E+00
  5.3728E-02  6.1769E-01 -3.2950E+00
 -1.6962E+03  1.4017E+03  6.7790E+02
HC             803    1.008000    0.040000
  1.2041E+00 -2.0428E+00  3.7139E+00
  6.5129E+00  1.1244E+01 -7.5572E+00
 -3.3432E+03 -3.2808E+03  6.7633E+02
HC             804    1.008000    0.040000
 -4.3385E-01 -1.7138E+00  4.6532E+00
 -7.5365E+00 -1.2672E+01 -1.3583E+01
  3.2651E+03 -3.1939E+03  1.6650E+03
CT             805   12.011000    0.145000
 -1.3241E+01 -3.9930E+00  2.4551E+00
 -1.5644E+00  1.7359E+00  6.2589E-01
  9.9328E+02  1.5992E+03 -3.1225E+03
OH             806    0.000000   -0.683000
 -1.2205E+01 -3.3008E+00  3.1151E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             807    1.008000    0.418000
 -1.1555E+01 -3.9385E+00  3.3677E+00
 -9.8895E+00 -1.2359E+01 -4.6742E+00
  7.7255E+02  1.8463E+02 -2.6296E+03
HC             808    1.008000    0.040000
 -1.2790E+01 -4.0518E+00  1.4647E+00
  1.7338E+01  7.5713E+00  8.4397E+00
 -1.5030E+03 -3.0748E+03 -1.1669E+02
HC             809    1.008000    0.040000
 -1.4188E+01 -3.4882E+00  2.2608E+00
 -9.8987E+00 -1.5164E+01 -4.6683E+00
  1.0654E+03  1.6404E+03  1.8583E+03
HC             810    1.008000    0.040000
 -1.3557E+01 -4.9707E+00  2.8189E+00
 -7.9929E+00 -4.9901E+00 -2.1455E+01
  2.1035E+03  2.8048E+02  4.4933E+01
CT             811   12.011000    0.145000
  1.9582E-01  4.5165E-01  7.5862E+00
  1.2608E+00 -7.8012E-01 -2.7316E+00
  1.9611E+03  9.7698E+02 -6.1002E+02
OH             812    0.000000   -0.683000
  9.4869E-01 -5.5510E-01  8.2248E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             813    1.008000    0.418000
  5.8658E-01 -6.5204E-01  9.0922E+00
  7.2888E+00  2.1873E+01  6.1440E+00
  1.7382E+03  9.4636E+02  3.2404E+02
HC             814    1.008000    0.040000
  6.7715E-01  1.4047E+00  7.8055E+00
 -7.7001E+00  2.6337E+00  2.6512E+00
 -1.3805E+03  6.8095E+02  4.9737E+02
HC             815    1.008000    0.040000
 -8.3207E-01  4.5257E-01  7.9489E+00
  2.4545E+00 -9.3118E+00  9.1412E-01
  1.4537E+02 -1.3981E+01 -3.5248E+02
HC             816    1.008000    0.040000
  1.9753E-01  3.9399E-01  6.4977E+00
  2.8431E+00  2.6044E+01 -4.8174E+00
 -1.2835E+02 -2.7185E+02  6.8320E+02
CT             817   12.011000    0.145000
  1.2341E+01  3.8060E+00  1.9509E+01
  6.6796E+00 -3.8956E+00 -2.3655E+00
  3.3070E+03 -9.2539E+02 -1.4347E+03
OH             818    0.000000   -0.683000
  1.2062E+01  4.1562E+00  1.8172E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             819    1.008000    0.418000
  1.2537E+01  4.9685E+00  1.8086E+01
  1.7237E+01 -1.0325E+01 -7.6938E+00
 -1.4433E+03 -4.7626E+01 -2.5926E+03
HC             820    1.008000    0.040000
  1.3416E+01  3.8085E+00  1.9693E+01
  5.0460E+00  2.6979E+01  1.3320E+01
 -8.6012E+02 -9.8307E+01 -9.9990E+00
HC             821    1.008000    0.040000
  1.1897E+01  2.8320E+00  1.9715E+01
 -1.4714E+01  8.7992E+00  1.6227E+01
 -1.8004E+03  2.0166E+03  2.8740E+03
HC             822    1.008000    0.040000
  1.1974E+01  4.6497E+00  2.0094E+01
 -1.1566E+01 -9.6106E+00 -4.9477E+00
 -1.5617E+03 -3.0154E+03  2.5559E+03
CT             823   12.011000    0.145000
 -1.2094E+01 -7.2965E+00 -1.9717E+01
  1.1563E+00  1.9464E+00  5.3337E-01
  3.3637E+03  1.4774E+03  5.6767E+03
OH             824    0.000000   -0.683000
 -1.0918E+01 -7.8481E+00 -2.0265E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             825    1.008000    0.418000
 -1.1163E+01 -7.9750E+00  1.9731E+01
  2.1651E+01  1.8220E+01 -9.4283E+00
  2.1459E+03 -4.4662E+03  1.3019E+03
HC             826    1.008000    0.040000
 -1.2818E+01 -6.9055E+00 -2.0433E+01
 -2.2719E+00 -1.0337E+01 -2.9568E+00
 -1.0718E+03 -3.0286E+03  1.5367E+02
HC             827    1.008000    0.040000
 -1.1815E+01 -6.4497E+00 -1.9090E+01
  8.1469E+00  5.3036E-01 -5.7885E-01
  2.4416E+02 -2.4975E+02  9.1176E+02
HC             828    1.008000    0.040000
 -1.2392E+01 -8.0946E+00 -1.9037E+01
 -4.0675E+00  2.7481E+00 -7.7199E-01
 -4.7373E+03  1.0599E+03 -5.8204E+02
CT             829   12.011000    0.145000
 -1.0282E+01  1.8855E+01 -1.0594E+01
  9.3857E-02  3.9076E+00 -6.9382E-01
  2.7469E+02 -3.6559E+03 -7.4595E+03
OH             830    0.000000   -0.683000
 -8.8727E+00  1.8824E+01 -1.0559E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             831    1.008000    0.418000
 -8.5404E+00  1.8860E+01 -1.1443E+01
  6.7308E+00  1.6276E+01  2.8334E+00
  7.4639E+02  2.2391E+02  6.0757E+02
HC             832    1.008000    0.040000
 -1.0673E+01  1.9655E+01 -1.1224E+01
  2.2805E+01  1.3201E+01 -3.9815E+00
  8.5494E+02  2.0678E+03  2.7173E+03
HC             833    1.008000    0.040000
 -1.0849E+01  1.8647E+01 -9.6871E+00
 -4.6990E+00  5.4132E+00 -3.3088E+00
  1.2486E+03  1.6630E+03  5.1686E+02
HC             834    1.008000    0.040000
 -1.0502E+01  1.8025E+01 -1.1265E+01
  1.7938E+01  5.6769E+00 -9.3155E+00
  4.2326E+02 -1.1130E+03  8.8802E+02
CT             835   12.011000    0.145000
  1.7638E+01  7.6909E+00 -2.2306E+00
  2.9544E+00 -2.0182E+00  2.4593E+00
 -1.8926E+03 -3.0351E+02  5.4510E+02
OH             836    0.000000   -0.683000
  1.7602E+01  8.7629E+00 -1.3153E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             837    1.008000    0.418000
  1.7136E+01  9.4748E+00 -1.7268E+00
  8.2625E+00  7.3800E+00  3.0962E+00
 -2.4246E+03 -1.6977E+03  4.7537E+02
HC             838    1.008000    0.040000
  1.7614E+01  8.1287E+00 -3.2285E+00
 -1.6387E+01  1.0826E+01  7.9925E+00
 -4.7230E+01 -1.5188E+03  5.3068E+01
HC             839    1.008000    0.040000
  1.6687E+01  7.2108E+00 -1.9989E+00
  2.2899E+00 -8.5662E+00 -1.2664E+01
  1.5918E+02 -2.0278E+03 -3.0654E+03
HC             840    1.008000    0.040000
  1.8467E+01  7.0159E+00 -2.0181E+00
  9.4972E-01 -2.6525E-01  1.6857E+01
 -2.7300E+02  8.2255E+01 -2.5922E+02
CT             841   12.011000    0.145000
  1.4717E+01 -2.0349E+01  1.9332E+01
 -3.6930E+00  3.9259E+00 -1.3341E+00
  3.1309E+03  4.2468E+02  1.5565E+01
OH             842    0.000000   -0.683000
  1.4896E+01  2.0248E+01  1.7967E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             843    1.008000    0.418000
  1.5290E+01  1.9391E+01  1.7910E+01
 -1.6277E+01 -9.5809E+00  1.9070E+01
  3.4965E+03  2.5419E+03  2.2169E+03
HC             844    1.008000    0.040000
  1.4225E+01 -1.9402E+01  1.9557E+01
 -3.3810E+00  6.8146E+00 -1.2256E+01
 -1.1261E+03  1.3665E+01 -3.0359E+03
HC             845    1.008000    0.040000
  1.5675E+01 -2.0104E+01  1.9791E+01
  2.6552E+00  3.9191E+01 -2.9004E+01
 -5.6571E+02 -2.3619E+03 -1.8676E+03
HC             846    1.008000    0.040000
  1.4112E+01  1.9827E+01  1.9878E+01
 -2.3953E+01  1.4887E+01 -8.1835E+00
  1.2552E+03 -1.0767E+03 -1.6153E+03
CT             847   12.011000    0.145000
  1.1567E+01 -2.0240E+01 -2.0057E+01
  6.1698E-01 -1.8670E+00  2.6795E+00
 -5.3986E+02 -5.9692E+02 -4.9494E+03
OH             848    0.000000   -0.683000
  1.0186E+01  2.0414E+01 -1.9914E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             849    1.008000    0.418000
  1.0056E+01  2.0341E+01 -1.8981E+01
 -1.3058E+01  9.0199E+00 -8.4135E-01
 -8.4766E+02  3.8006E+02 -2.9976E+02
HC             850    1.008000    0.040000
  1.2174E+01  1.9885E+01 -1.9589E+01
 -6.1129E-01  3.9549E+00  1.4279E+01
 -2.0649E+02  4.5459E+02  3.6396E+02
HC             851    1.008000    0.040000
  1.1833E+01 -1.9262E+01 -1.9655E+01
  6.1107E+00 -2.2908E+00  1.6719E-01
  6.5153E+02 -9.0007E+02  1.0893E+03
HC             852    1.008000    0.040000
  1.1879E+01 -2.0083E+01  1.9811E+01
  2.4535E+01  2.2584E+01  1.2411E+01
 -9.4135E+02 -1.3963E+03  5.2497E+02
CT             853   12.011000    0.145000
 -1.1176E+01  1.5568E+01 -1.5996E+01
 -1.3631E+00 -1.7704E+00  4.8358E-01
  1.1583E+03 -3.0732E+03 -7.7417E+02
OH             854    0.000000   -0.683000
 -1.1748E+01  1.5660E+01 -1.7282E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             855    1.008000    0.418000
 -1.1336E+01  1.6367E+01 -1.7755E+01
 -1.1772E+01  6.7199E+00 -5.7714E-01
  6.0080E+02  1.7270E+02  1.2378E+03
HC             856    1.008000    0.040000
 -1.1140E+01  1.4526E+01 -1.5680E+01
 -3.8656E+01  1.8057E+00  2.2427E+01
 -8.2517E+02  1.3087E+03 -4.1772E+02
HC             857    1.008000    0.040000
 -1.1799E+01  1.6006E+01 -1.5216E+01
 -2.5785E+00 -1.7455E+01  8.7182E+00
  1.8477E+03  1.5854E+03 -2.9413E+02
HC             858    1.008000    0.040000
 -1.0170E+01  1.5970E+01 -1.6121E+01
 -7.6520E+00  1.6025E+01  4.2092E+00
 -4.0417E+02  1.4748E+03  3.2257E+03
CT             859   12.011000    0.145000
 -4.1739E+00  5.6000E+00  4.4609E+00
 -3.7982E-01  3.7039E+00 -8.5950E-01
  4.0670E+03 -5.4643E+03  2.8109E+03
OH             860    0.000000   -0.683000
 -3.5523E+00  5.3709E+00  3.2162E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             861    1.008000    0.418000
 -3.5080E+00  6.1871E+00  2.7421E+00
 -2.3520E+01  9.3566E+00  1.2242E+01
 -1.8860E+03  2.1184E+03  4.2780E+03
HC             862    1.008000    0.040000
 -5.1763E+00  6.0151E+00  4.5660E+00
 -8.0285E-01  1.9706E+00  2.0638E+00
  3.0482E+02  4.5251E+01 -2.7534E+03
HC             863    1.008000    0.040000
 -3.5416E+00  6.0088E+00  5.2490E+00
  1.1486E+01 -1.4012E+01 -6.1113E-01
  1.0742E+03  1.7041E+03 -2.2376E+03
HC             864    1.008000    0.040000
 -4.1436E+00  4.5846E+00  4.8561E+00
  2.2622E+01  4.0898E+00 -2.9043E-01
 -2.3260E+03  1.7672E+02  6.4842E+01
CT             865   12.011000    0.145000
 -2.8665E+00  1.6957E+01 -1.8168E+01
  2.9314E-01  4.7896E-01  3.1568E-01
  3.4316E+03  3.3021E+03  1.2829E+03
OH             866    0.000000   -0.683000
 -2.3015E+00  1.6023E+01 -1.7276E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             867    1.008000    0.418000
 -3.0736E+00  1.5743E+01 -1.6809E+01
  9.3739E+00  6.2222E+00  2.0370E+01
  2.2706E+03 -8.7722E+00  3.2617E+03
HC             868    1.008000    0.040000
 -2.8351E+00  1.7862E+01 -1.7561E+01
 -6.2608E+00  3.7801E+00 -4.1449E+00
 -4.0860E+03  1.0500E+03 -7.7602E+02
HC             869    1.008000    0.040000
 -3.8646E+00  1.6604E+01 -1.8428E+01
  4.3366E-01 -1.1974E+01  1.5257E+01
  4.1699E+02  1.8323E+03 -5.6087E+02
HC             870    1.008000    0.040000
 -2.2255E+00  1.7220E+01 -1.9009E+01
 -3.3176E-01 -7.8140E+00 -2.8472E+00
 -4.4099E+02 -2.1314E+03 -1.2037E+03
CT             871   12.011000    0.145000
 -2.8986E+00  1.2433E+01 -1.5440E+01
 -3.2193E+00  1.8588E+00 -2.3310E-01
 -1.6504E+03 -4.6991E+03 -1.2530E+03
OH             872    0.000000   -0.683000
 -3.1679E+00  1.2128E+01 -1.4090E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             873    1.008000    0.418000
 -2.8653E+00  1.1241E+01 -1.3967E+01
 -1.0874E+01 -2.4921E+00  1.0747E+01
 -1.7042E+03 -9.0465E+01  3.0578E+03
HC             874    1.008000    0.040000
 -1.9214E+00  1.1990E+01 -1.5633E+01
 -2.0617E-01  2.8395E+00  1.1957E+01
  1.8508E+03  4.8385E+03 -9.0864E+02
HC             875    1.008000    0.040000
 -3.0150E+00  1.3511E+01 -1.5548E+01
  3.8744E+01  8.3339E+00  2.4277E+00
  2.5793E+03 -1.7987E+03 -3.3442E+03
HC             876    1.008000    0.040000
 -3.5760E+00  1.1789E+01 -1.6001E+01
 -1.7676E+01  1.3791E+01  2.8866E+00
 -1.6652E+03  2.7237E+03 -1.5321E+03
CT             877   12.011000    0.145000
 -3.4062E+00 -9.5830E+00 -1.4686E+01
  6.8644E-01 -1.4025E-01  6.0713E+00
 -1.0891E+03  2.8339E+02 -2.9788E+03
OH             878    0.000000   -0.683000
 -4.3726E+00 -1.0607E+01 -1.4606E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             879    1.008000    0.418000
 -4.6352E+00 -1.0894E+01 -1.5467E+01
  3.9566E+00 -1.2882E+00 -7.9805E-01
 -3.2642E+02  1.7554E+03 -4.4326E+02
HC             880    1.008000    0.040000
 -2.5617E+00 -9.8931E+00 -1.5301E+01
  4.5963E+00  4.6891E+00  8.9269E+00
  8.2046E+02 -3.2127E+02  1.2219E+03
HC             881    1.008000    0.040000
 -3.0826E+00 -9.2777E+00 -1.3691E+01
 -2.2837E+00  1.0752E+01  3.8279E+00
  1.7072E+02  8.7284E+02 -6.9389E+02
HC             882    1.008000    0.040000
 -3.8201E+00 -8.7409E+00 -1.5240E+01
  3.6560E-01 -1.1289E+01 -1.1396E+01
 -1.0982E+02  2.1684E+02  1.0188E+03
CT             883   12.011000    0.145000
 -1.7778E+01 -1.3880E+00  1.7127E+01
 -3.4791E+00  5.5456E+00 -3.5365E+00
  1.3307E+03 -1.0404E+03 -1.8250E+03
OH             884    0.000000   -0.683000
 -1.8706E+01 -2.3129E+00  1.6605E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             885    1.008000    0.418000
 -1.9464E+01 -1.7648E+00  1.6475E+01
 -1.0883E+00 -4.3756E+00 -1.3695E+01
 -8.3841E+02 -1.3765E+03  9.3292E+02
HC             886    1.008000    0.040000
 -1.8059E+01 -8.7504E-01  1.8047E+01
 -6.6194E+00 -2.5713E+01  1.4359E+01
 -2.3987E+03 -1.7487E+03 -1.2740E+03
HC             887    1.008000    0.040000
 -1.7534E+01 -6.5531E-01  1.6358E+01
 -1.8599E+01  7.6451E+00 -6.6449E+00
 -1.2493E+03  1.2180E+02 -1.7216E+02
HC             888    1.008000    0.040000
 -1.6832E+01 -1.8480E+00  1.7411E+01
 -1.3897E+01 -1.0476E+01  6.8743E+00
 -1.1484E+03 -2.0423E+03 -2.2307E+02
CT             889   12.011000    0.145000
  8.3781E+00 -1.1453E+01  4.5634E+00
  2.4446E+00  2.5486E+00 -1.1167E+00
 -3.7599E+03 -1.4179E+03 -7.9556E+03
OH             890    0.000000   -0.683000
  7.4280E+00 -1.0441E+01  4.8076E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             891    1.008000    0.418000
  7.1875E+00 -1.0150E+01  3.9412E+00
  3.4325E+01  1.1521E+01 -7.2378E+00
  8.5042E+02  1.9008E+03  1.8302E+03
HC             892    1.008000    0.040000
  7.7368E+00 -1.2179E+01  4.0631E+00
 -7.8381E+00  2.0255E+01 -1.4832E+01
  1.3851E+03 -2.1972E+03  2.1997E+03
HC             893    1.008000    0.040000
  8.8770E+00 -1.1785E+01  5.4739E+00
  3.0222E+00  9.9916E+00  1.3477E+00
 -3.5510E+02  9.3153E+02 -2.9597E+02
HC             894    1.008000    0.040000
  9.0052E+00 -1.1227E+01  3.7012E+00
 -1.0662E+00 -2.6737E+01 -1.2528E+01
  2.3445E+03  3.3156E+02  2.8934E+03
CT             895   12.011000    0.145000
  1.7666E+01 -6.0533E+00  8.4181E+00
  7.5067E-01  1.1639E+00  1.4285E+00
 -4.4495E+03  7.0224E+02 -3.9747E+02
OH             896    0.000000   -0.683000
  1.7408E+01 -7.0599E+00  9.3711E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             897    1.008000    0.418000
  1.6736E+01 -7.6339E+00  9.0378E+00
 -2.6314E+01  2.2131E+01  1.1074E+01
  1.9243E+03  3.4835E+02 -6.6702E-01
HC             898    1.008000    0.040000
  1.6675E+01 -5.7422E+00  8.0878E+00
 -4.7965E+00 -2.5574E+01 -9.7413E+00
  3.6244E+02 -9.7008E+02 -9.4702E+02
HC             899    1.008000    0.040000
  1.8216E+01 -6.3613E+00  7.5285E+00
  2.6582E+00 -1.9557E+00  3.6662E+00
 -6.7589E+02 -2.1673E+03  5.4899E+02
HC             900    1.008000    0.040000
  1.8148E+01 -5.1090E+00  8.6713E+00
  8.3040E+00  1.9006E+00 -1.4472E+01
  9.7468E+02 -2.0937E+03  3.3405E+03
CT             901   12.011000    0.145000
 -1.3901E+01  4.7285E+00  3.0638E+00
 -6.5033E-01 -2.0214E-01  6.5470E+00
 -3.9451E+03 -3.3524E+02  2.0643E+03
OH             902    0.000000   -0.683000
 -1.3925E+01  3.3197E+00  3.0113E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             903    1.008000    0.418000
 -1.4744E+01  3.0571E+00  3.4032E+00
  2.2078E+00  1.8649E+01  1.8920E+01
 -6.6955E+01  2.0976E+03 -2.3093E+02
HC             904    1.008000    0.040000
 -1.4362E+01  4.9789E+00  4.0194E+00
 -3.3879E+00 -1.8247E+01  1.0319E+01
  2.0252E+03  5.5375E+02  7.1511E+02
HC             905    1.008000    0.040000
 -1.4526E+01  5.2360E+00  2.3293E+00
  1.3678E+00 -2.1692E+01 -1.1076E+01
 -1.0279E+03 -3.2703E+03 -8.4511E+02
HC             906    1.008000    0.040000
 -1.2970E+01  5.2747E+00  2.9114E+00
 -3.6372E+00  5.1615E+00  7.2745E+00
  1.4131E+03 -2.8382E+03  1.6836E+03
CT             907   12.011000    0.145000
  1.1827E+01 -2.0238E+01  1.5362E+01
 -8.2812E-01  1.0424E+00  2.3319E+00
  4.8271E+03 -1.0992E+02 -1.7736E+03
OH             908    0.000000   -0.683000
  1.1652E+01 -1.8986E+01  1.4737E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             909    1.008000    0.418000
  1.1418E+01 -1.8374E+01  1.5418E+01
  6.5838E-01  5.5657E+00 -4.6923E+00
 -2.4681E+03  7.4439E+02 -1.5610E+03
HC             910    1.008000    0.040000
  1.2436E+01  2.0088E+01  1.4663E+01
  7.2612E+00  2.2663E+01 -9.3582E+00
 -9.6126E+02  2.8477E+02 -6.1237E+02
HC             911    1.008000    0.040000
  1.0987E+01  2.0026E+01  1.5640E+01
 -1.0679E+01  3.6787E+00 -1.9368E+01
 -2.4953E+03  3.6058E+03 -1.8299E+03
HC             912    1.008000    0.040000
  1.2404E+01 -2.0309E+01  1.6284E+01
 -1.6069E+01 -8.9845E+00  1.1544E+01
  6.2490E+02  4.0799E+03 -6.7724E+02
CT             913   12.011000    0.145000
  1.3533E+00 -1.1567E+01  3.0098E+00
  3.4656E+00 -1.1038E+00  5.0712E-01
  1.3603E+02 -6.1873E+03  1.4537E+03
OH             914    0.000000   -0.683000
  1.2434E+00 -1.1269E+01  4.3835E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             915    1.008000    0.418000
  2.0148E+00 -1.1674E+01  4.7492E+00
  1.0010E+01  1.6841E+00 -1.8071E+01
 -1.8072E+03 -1.8665E+03  2.4267E+02
HC             916    1.008000    0.040000
  1.0456E+00 -1.2609E+01  2.9150E+00
 -2.8513E+01  7.3848E+00 -5.0443E-01
  1.0060E+03  2.8354E+02  8.5457E+02
HC             917    1.008000    0.040000
  2.3554E+00 -1.1471E+01  2.5919E+00
  4.4695E+00  1.0096E+01  5.1385E+00
  5.9438E+02  1.0363E+03  2.0084E+03
HC             918    1.008000    0.040000
  6.8255E-01 -1.1206E+01  2.2305E+00
 -4.2204E+00 -1.4173E+01  7.6175E-01
 -1.5950E+03  3.1306E+03  3.7464E+03
CT             919   12.011000    0.145000
  1.3797E+00 -8.0143E+00  9.2571E-01
 -2.0328E+00  9.9568E-01 -1.2590E+00
 -2.1280E+02  1.7850E+02 -1.9986E+02
OH             920    0.000000   -0.683000
  1.8486E+00 -6.7137E+00  1.2026E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             921    1.008000    0.418000
  2.3181E+00 -6.9512E+00  1.9875E+00
 -1.0718E+01 -1.0937E+01  3.4157E+00
 -2.9645E+02  3.5325E+03  7.2932E+02
HC             922    1.008000    0.040000
  5.8619E-01 -7.9676E+00  1.7986E-01
 -1.5739E+00  8.7544E+00 -1.3429E+00
  1.2436E+03 -8.2322E+02 -1.2880E+03
HC             923    1.008000    0.040000
  9.7495E-01 -8.5558E+00  1.7807E+00
  3.1975E+00 -7.1417E+00 -3.8193E+00
 -8.7397E+02  2.1449E+03  6.8503E+02
HC             924    1.008000    0.040000
  2.2489E+00 -8.6327E+00  7.0177E-01
  1.1862E+01  1.7179E+01  5.7323E+00
 -7.1903E+02  8.5977E+02 -2.4988E+03
CT             925   12.011000    0.145000
  5.9639E+00  1.4554E+01  1.5091E+00
  2.0480E+00 -5.7683E+00  3.9057E+00
  3.0666E+03 -3.6998E+03  3.8022E+03
OH             926    0.000000   -0.683000
  5.3995E+00  1.5142E+01  2.6597E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             927    1.008000    0.418000
  4.5452E+00  1.4766E+01  2.8076E+00
 -7.1463E+00  1.9610E+01  1.2580E+01
  5.6422E+02  6.8369E+02  1.7484E+03
HC             928    1.008000    0.040000
  6.3221E+00  1.3608E+01  1.9139E+00
  2.9974E+00 -1.1866E+00  1.4089E+01
 -1.0490E+03 -1.3197E+03 -1.4638E+03
HC             929    1.008000    0.040000
  6.9215E+00  1.4921E+01  1.1399E+00
 -1.6324E+00  7.4375E-01  6.5090E-01
 -1.2079E+03  3.4795E+03  2.2668E+02
HC             930    1.008000    0.040000
  5.2893E+00  1.4365E+01  6.7410E-01
  6.2032E+00 -1.7886E+00 -4.1647E-01
 -2.7912E+02  1.0271E+03  5.0552E+02
CT             931   12.011000    0.145000
  1.6721E+00  1.2525E+01 -1.2120E+01
  1.3324E+00  1.7855E+00  3.4642E+00
  2.3299E+03 -5.2325E+02 -1.1852E+03
OH             932    0.000000   -0.683000
  1.7861E+00  1.1256E+01 -1.1515E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             933    1.008000    0.418000
  2.3798E+00  1.0602E+01 -1.1851E+01
  9.4560E+00  5.4612E+00  5.6284E+00
  4.0347E+03  5.8238E+03 -3.9362E+03
HC             934    1.008000    0.040000
  1.4196E+00  1.2455E+01 -1.3178E+01
 -3.1453E+01 -2.7052E+01  1.1314E+01
  9.3339E+02 -1.2693E+03  1.5959E+03
HC             935    1.008000    0.040000
  2.5289E+00  1.3172E+01 -1.1932E+01
 -2.1218E+00  9.4088E+00 -6.2010E+00
  1.3978E+03 -1.6365E+03 -1.1596E+03
HC             936    1.008000    0.040000
  8.5680E-01  1.3137E+01 -1.1734E+01
 -1.4197E+01 -5.6564E+00 -1.5820E+01
 -9.2225E+02 -2.7778E+03  3.7944E+02
CT             937   12.011000    0.145000
 -2.4985E-01  1.4895E+01 -1.5144E+01
  1.8284E-01 -4.0520E+00 -2.3335E+00
  1.8106E+03  1.3729E+03  5.8532E+03
OH             938    0.000000   -0.683000
  1.0616E+00  1.5201E+01 -1.5562E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             939    1.008000    0.418000
  8.1329E-01  1.5667E+01 -1.6346E+01
 -4.4018E+00 -1.7728E+01 -9.6962E+00
  3.4803E+03  2.4232E+03  1.3001E+03
HC             940    1.008000    0.040000
 -6.7888E-01  1.5801E+01 -1.4714E+01
 -2.2073E+01 -8.9389E+00 -1.2799E+01
 -1.8173E+03  1.5536E+02 -2.4034E+03
HC             941    1.008000    0.040000
 -1.4106E-01  1.4218E+01 -1.4296E+01
  3.6760E+00 -4.8863E+00 -3.4321E+00
 -1.9445E+03 -2.7803E+03 -1.6229E+03
HC             942    1.008000    0.040000
 -8.1407E-01  1.4580E+01 -1.6021E+01
 -1.2715E+01  2.9393E+00  3.1659E+00
 -9.0941E+02 -2.6534E+03  2.4558E+03
CT             943   12.011000    0.145000
 -1.5034E+01  1.2311E+00  1.2382E+01
  1.8379E+00 -6.4165E-01  6.1396E-01
 -3.2373E+03 -2.9481E+03 -3.2757E+03
OH             944    0.000000   -0.683000
 -1.5627E+01  6.1128E-01  1.3502E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             945    1.008000    0.418000
 -1.6260E+01 -5.5416E-02  1.3282E+01
 -1.7277E+00  3.2485E+00 -5.0613E+00
 -9.2270E+01  1.1657E+03 -3.3586E+03
HC             946    1.008000    0.040000
 -1.4346E+01  5.1965E-01  1.1926E+01
  8.8206E+00  1.9649E+01 -2.2701E+01
 -2.9434E+02  1.6435E+03 -1.6285E+03
HC             947    1.008000    0.040000
 -1.4515E+01  2.1773E+00  1.2534E+01
  3.9800E+00 -4.5959E+00  2.0734E+01
  6.8210E+02 -1.4886E+03  3.2212E+03
HC             948    1.008000    0.040000
 -1.5880E+01  1.4929E+00  1.1746E+01
 -7.9479E+00  1.5459E+01  1.9142E+01
  1.1093E+03 -1.0023E+03 -1.0527E+03
CT             949   12.011000    0.145000
  1.7787E+01 -3.5935E+00  1.6742E+01
 -3.5958E+00  1.4556E+00  6.1244E+00
 -7.3380E+02  1.7305E+03  6.5051E+03
OH             950    0.000000   -0.683000
  1.7872E+01 -2.2155E+00  1.6456E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             951    1.008000    0.418000
  1.7462E+01 -2.0630E+00  1.5618E+01
  2.6158E+00  2.9386E+01  3.0191E+00
 -7.9943E+02  2.1256E+03  1.5429E+03
HC             952    1.008000    0.040000
  1.6961E+01 -3.4769E+00  1.7444E+01
  9.7552E+00  5.1877E+00  2.1850E+01
 -1.2496E+03 -4.7976E+03 -1.0851E+03
HC             953    1.008000    0.040000
  1.8607E+01 -3.9129E+00  1.7386E+01
 -2.5960E-01  1.3375E+01  8.0340E+00
  6.1785E+02  6.2074E+02 -2.9421E+02
HC             954    1.008000    0.040000
  1.7646E+01 -4.3937E+00  1.6016E+01
 -1.7306E+00 -1.5755E+01  2.3871E+01
 -1.3721E+03  2.9985E+03 -1.0192E+03
CT             955   12.011000    0.145000
 -1.9856E+01 -1.6634E+01 -1.2544E+01
 -1.1134E+00 -1.3986E+00 -2.5182E+00
 -3.2652E+03 -2.9221E+03 -8.6970E+02
OH             956    0.000000   -0.683000
 -1.8971E+01 -1.7712E+01 -1.2332E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             957    1.008000    0.418000
 -1.9351E+01 -1.8575E+01 -1.2272E+01
  2.3244E+00 -5.2170E-01  8.4735E+00
 -4.6610E+03  2.3666E+03  2.9788E+03
HC             958    1.008000    0.040000
 -1.9385E+01 -1.5658E+01 -1.2662E+01
 -1.1196E+01  3.1094E+00 -6.5889E+00
  9.5355E+02 -9.6513E+02  7.3285E+02
HC             959    1.008000    0.040000
  2.0253E+01 -1.6532E+01 -1.1801E+01
 -1.1491E+01 -2.5394E+00 -1.3123E+01
  1.0482E+03 -6.1817E+02  9.4866E+02
HC             960    1.008000    0.040000
 -2.0387E+01 -1.6799E+01 -1.3481E+01
  1.5971E+01 -1.0345E+01 -1.1104E+01
  4.0632E+02 -3.2005E+02 -1.5644E+01
CT             961   12.011000    0.145000
 -1.6963E+01 -3.7853E+00  1.1356E+00
 -9.1401E-01  8.5258E-01  1.0384E-01
  1.4169E+03 -5.4824E+03 -5.4156E+03
OH             962    0.000000   -0.683000
 -1.6188E+01 -2.8667E+00  3.9828E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             963    1.008000    0.418000
 -1.6616E+01 -2.0331E+00  5.2059E-01
  1.1245E+01  5.1057E+00  6.0980E+00
  1.5183E+03  6.0130E+02  3.3264E+02
HC             964    1.008000    0.040000
 -1.6541E+01 -4.7596E+00  8.8778E-01
  3.3580E+00  8.2832E+00 -2.4605E+01
  9.7582E+02  5.6830E+02 -4.0939E+02
HC             965    1.008000    0.040000
 -1.7961E+01 -3.9187E+00  7.1903E-01
  1.1916E+00 -3.7510E+00 -3.5620E+00
 -2.6461E+02  2.0044E+03 -6.9436E+01
HC             966    1.008000    0.040000
 -1.7047E+01 -3.7935E+00  2.2223E+00
 -1.9245E-01  1.8418E+01  5.7718E-01
  1.7319E+03  4.7311E+03 -2.9026E+02
CT             967   12.011000    0.145000
 -1.4977E+01  7.6067E+00 -1.1584E+01
 -1.3748E+00 -3.1444E+00  5.0824E+00
  1.0788E+03  1.6391E+03 -2.3757E+03
OH             968    0.000000   -0.683000
 -1.3638E+01  7.1736E+00 -1.1497E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             969    1.008000    0.418000
 -1.3219E+01  7.4852E+00 -1.2285E+01
  8.2377E+00 -3.3417E+00  2.9493E+00
  3.8468E+03 -4.1196E+02  1.8468E+03
HC             970    1.008000    0.040000
 -1.5668E+01  7.1702E+00 -1.0863E+01
  7.3894E+00  5.1603E+00  1.8980E+01
  1.5551E+03  2.0600E+03  2.2077E+03
HC             971    1.008000    0.040000
 -1.5359E+01  7.3696E+00 -1.2577E+01
  1.1902E+01 -3.6357E-01 -9.0634E-01
  8.8831E+02  5.1539E+02 -4.2375E+02
HC             972    1.008000    0.040000
 -1.4736E+01  8.6665E+00 -1.1501E+01
  2.8467E+01 -1.0132E+01  2.2938E+01
 -4.6446E+03 -5.6163E+02  1.3956E+03
CT             973   12.011000    0.145000
  3.3195E+00  1.6659E+01  1.3313E+01
  1.7552E+00  4.3605E+00  1.0072E+00
  1.0022E+03 -1.4382E+03  3.5159E+03
OH             974    0.000000   -0.683000
  2.0847E+00  1.7017E+01  1.3892E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             975    1.008000    0.418000
  2.2712E+00  1.7202E+01  1.4800E+01
  2.5979E+01  1.1628E+01 -6.7640E+00
  2.7248E+03 -2.7070E+03 -7.9475E+02
HC             976    1.008000    0.040000
  3.8512E+00  1.5881E+01  1.3860E+01
  6.4625E-01  1.1437E+01  1.2471E+01
 -1.6232E+03  7.5604E+02  3.1151E+03
HC             977    1.008000    0.040000
  4.0124E+00  1.7500E+01  1.3295E+01
 -3.4021E+00  8.5679E+00 -8.0160E+00
 -6.1204E+02  3.5257E+02 -1.0834E+03
HC             978    1.008000    0.040000
  3.2819E+00  1.6153E+01  1.2348E+01
 -6.8888E+00  7.1771E+00 -2.2291E-01
 -2.4299E+03  2.9345E+03 -1.2207E+03
CT             979   12.011000    0.145000
 -1.8342E+01 -3.9657E+00 -1.5553E+01
  4.1541E+00 -5.8676E-01  9.9809E-01
  4.5341E+02  1.0351E+02  1.6014E+02
OH             980    0.000000   -0.683000
 -1.8097E+01 -2.5970E+00 -1.5787E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             981    1.008000    0.418000
 -1.8481E+01 -2.3759E+00 -1.6622E+01
  6.6025E-01  1.5989E+00  1.1592E-01
  3.0166E+03  1.0723E+03 -1.0888E+03
HC             982    1.008000    0.040000
 -1.9278E+01 -4.1749E+00 -1.6071E+01
  2.1589E+00  2.1092E+01 -5.1429E+00
  6.3791E+02 -1.0066E+03  5.4606E+02
HC             983    1.008000    0.040000
 -1.8453E+01 -4.2439E+00 -1.4505E+01
 -8.0140E+00 -6.2328E+00 -1.6086E+00
 -5.1299E+02  1.9196E+03  2.5734E+02
HC             984    1.008000    0.040000
 -1.7554E+01 -4.6201E+00 -1.5925E+01
 -3.3674E+00  1.6712E+00 -2.0299E+01
 -3.8970E+02  1.1680E+03 -2.0389E+03
CT             985   12.011000    0.145000
  1.6515E+01  1.2749E+01  9.2358E+00
  3.4151E+00 -3.1070E+00 -5.3829E+00
 -3.6392E+03  4.4060E+02  1.8365E+03
OH             986    0.000000   -0.683000
  1.6541E+01  1.1540E+01  9.9599E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             987    1.008000    0.418000
  1.6419E+01  1.1690E+01  1.0885E+01
 -1.0478E+01 -2.9189E+01  4.4108E+00
  6.4071E+02  1.8539E+03 -1.5919E+03
HC             988    1.008000    0.040000
  1.7095E+01  1.3579E+01  9.6395E+00
  1.4479E+01 -1.0804E+01 -5.0034E+00
  3.0971E+03 -1.9929E+03 -5.6949E+02
HC             989    1.008000    0.040000
  1.5486E+01  1.3090E+01  9.3578E+00
 -4.0437E+00 -2.3402E+01 -7.7121E+00
 -5.8065E+02 -8.3322E+02 -2.9290E+03
HC             990    1.008000    0.040000
  1.6727E+01  1.2508E+01  8.1943E+00
 -1.3535E+01  9.4275E+00 -1.2220E+01
 -5.8182E+02  3.2610E+03 -3.3974E+02
CT             991   12.011000    0.145000
  1.7634E+01  2.2737E+00  2.6414E+00
  1.6632E+00  3.8061E+00 -2.0787E-01
 -8.4031E+03 -4.8174E+03  7.8485E+02
OH             992    0.000000   -0.683000
  1.7698E+01  2.3181E+00  4.0492E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             993    1.008000    0.418000
  1.8631E+01  2.4680E+00  4.0477E+00
  4.6643E-01 -1.1290E+00 -1.7029E+01
 -6.0627E+02 -5.1992E+01  3.7572E+03
HC             994    1.008000    0.040000
  1.8073E+01  2.9658E+00  1.9229E+00
  1.4486E+01 -2.2327E+01 -1.9224E+01
  2.2683E+03 -1.3697E+03  2.6116E+03
HC             995    1.008000    0.040000
  1.6548E+01  2.3440E+00  2.5860E+00
 -3.5924E-01 -1.4636E+01  8.4965E+00
 -4.6363E-01 -9.4577E+02 -4.1284E+03
HC             996    1.008000    0.040000
  1.7848E+01  1.2148E+00  2.4958E+00
  6.4506E-01  2.3226E+00  8.5435E+00
  1.7987E+03  1.0199E+03 -4.4604E+03
CT             997   12.011000    0.145000
 -1.0460E+01 -1.2244E+01  2.0166E+01
 -4.7492E+00 -1.7374E+00 -1.6234E+00
 -4.2721E+02  1.0077E+03 -5.4731E+02
OH             998    0.000000   -0.683000
 -1.1068E+01 -1.1580E+01 -1.9649E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             999    1.008000    0.418000
 -1.1035E+01 -1.0641E+01 -1.9755E+01
 -4.9491E+01  2.6780E+00 -1.7816E+01
  5.6992E+02 -3.1765E+03  3.4686E+01
HC            1000    1.008000    0.040000
 -1.1049E+01 -1.3123E+01  1.9905E+01
 -1.9930E+00 -1.9443E+00 -7.2858E+00
  1.6909E+03 -1.2349E+03  6.8350E+02
HC            1001    1.008000    0.040000
 -9.4939E+00 -1.2438E+01 -2.0269E+01
 -9.2446E-01 -3.7699E-01 -8.8543E+00
  1.4047E+03 -1.9669E+03 -3.8726E+03
HC            1002    1.008000    0.040000
 -1.0380E+01 -1.1678E+01  1.9238E+01
  1.2632E+01 -2.9005E+01 -1.8147E+01
  1.2574E+03 -1.7007E+02  1.3202E+03
CT            1003   12.011000    0.145000
 -7.8573E+00 -9.2729E+00  1.9328E+01
 -5.7610E+00  2.2083E+00  9.1357E+00
 -2.4685E+03  1.0929E+03  6.1473E+03
OH            1004    0.000000   -0.683000
 -7.2779E+00 -1.0397E+01  1.9952E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1005    1.008000    0.418000
 -7.7640E+00 -1.0755E+01 -2.0221E+01
 -1.6300E+01  1.2137E+00 -9.8024E+00
 -3.0426E+03  5.0491E+03  1.5150E+02
HC            1006    1.008000    0.040000
 -7.2880E+00 -9.0253E+00  1.8432E+01
 -1.4127E+01  1.8816E+01  8.0228E+00
 -1.8775E+03  1.3211E+03  3.8806E+01
HC            1007    1.008000    0.040000
 -7.8907E+00 -8.4150E+00  2.0000E+01
 -1.0546E+01  1.3181E+00  1.0072E+01
  2.4360E+03  5.4062E+02 -6.6155E+01
HC            1008    1.008000    0.040000
 -8.9267E+00 -9.3897E+00  1.9153E+01
 -4.7524E+00  3.3228E+00  1.9443E+00
  5.0085E+02 -1.6163E+03 -2.6938E+03
CT            1009   12.011000    0.145000
 -3.7113E+00  1.5287E+01 -1.3498E+00
 -3.2611E+00  3.2792E+00  7.6296E-01
  1.7844E+03  5.7111E+02  1.7154E+03
OH            1010    0.000000   -0.683000
 -3.0178E+00  1.6169E+01 -2.2041E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1011    1.008000    0.418000
 -2.3051E+00  1.6595E+01 -1.7527E+00
  1.0244E+01 -1.2753E+00 -1.4282E+01
  2.5188E+02 -1.1954E+03  5.9103E+01
HC            1012    1.008000    0.040000
 -4.6072E+00  1.4901E+01 -1.8358E+00
  1.5212E+00  5.5116E+00 -1.0129E+01
  1.8117E+02 -2.6516E+02  6.9406E+02
HC            1013    1.008000    0.040000
 -3.9199E+00  1.5961E+01 -5.1888E-01
 -1.3701E+01  2.3757E+00 -9.8991E-01
 -1.9160E+03 -2.7205E+03  1.8002E+03
HC            1014    1.008000    0.040000
 -2.9985E+00  1.4490E+01 -1.1370E+00
 -1.3885E+01 -7.7160E+00 -3.6298E+00
 -1.6316E+03 -9.5652E+02  1.5415E+03
CT            1015   12.011000    0.145000
  7.5506E+00 -1.2976E+01  9.4173E+00
 -4.4152E+00  5.6767E-01 -5.1111E+00
 -2.6294E+03 -4.3390E+02 -2.8792E+03
OH            1016    0.000000   -0.683000
  6.5166E+00 -1.3412E+01  1.0271E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1017    1.008000    0.418000
  6.8093E+00 -1.4157E+01  1.0773E+01
 -1.9662E+01 -4.2687E+00  6.0021E+00
 -1.9863E+03  5.5348E+02  1.4295E+03
HC            1018    1.008000    0.040000
  8.0100E+00 -1.3828E+01  8.9150E+00
  7.0514E+00  7.1119E+00 -6.0626E+00
  1.3952E+03  1.9133E+02  1.0699E+03
HC            1019    1.008000    0.040000
  8.3201E+00 -1.2339E+01  9.8535E+00
  5.6066E+00 -1.5208E+01  1.1296E+00
  1.5603E+01 -2.0664E+03  1.8022E+03
HC            1020    1.008000    0.040000
  7.1518E+00 -1.2414E+01  8.5732E+00
 -6.5075E+00 -8.6280E+00 -1.0391E+01
 -1.2640E+03  1.6055E+02  5.4404E+02
CT            1021   12.011000    0.145000
 -1.6332E+00 -1.7180E+01  4.4995E+00
  3.0781E-03 -6.2071E-01 -4.3031E-01
 -3.6658E+03 -2.1556E+03  7.6263E+02
OH            1022    0.000000   -0.683000
 -9.9890E-01 -1.7895E+01  5.5363E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1023    1.008000    0.418000
 -1.5380E+00 -1.8617E+01  5.8198E+00
 -2.3323E+00 -6.6174E+00 -1.9745E+01
 -2.5084E+03  7.3761E+02 -3.5772E+03
HC            1024    1.008000    0.040000
 -2.6570E+00 -1.6871E+01  4.7103E+00
  3.5601E+00  4.7929E-02  1.7435E+01
  5.2129E+02  5.3555E+02  2.1784E+03
HC            1025    1.008000    0.040000
 -1.7108E+00 -1.7955E+01  3.7368E+00
  1.1116E+01 -4.8553E+00  2.5445E+00
  2.2123E+03  3.0309E+03 -3.2104E+03
HC            1026    1.008000    0.040000
 -1.0058E+00 -1.6300E+01  4.3606E+00
 -4.1188E-01 -1.8855E+00 -1.1170E+01
 -3.8138E+01 -1.0448E+03 -4.4729E+03
CT            1027   12.011000    0.145000
 -2.1038E+00  1.9415E+01  1.6025E+01
 -9.8794E-01 -1.6418E+00 -1.3853E+00
 -1.4502E+03 -2.5921E+03 -1.9330E+03
OH            1028    0.000000   -0.683000
 -3.3191E+00  1.9559E+01  1.6726E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1029    1.008000    0.418000
 -3.0542E+00  1.9453E+01  1.7626E+01
 -3.2804E+01  1.3265E+01  1.2778E+01
 -4.1982E+03  1.0701E+03  4.3450E+02
HC            1030    1.008000    0.040000
 -1.2512E+00  1.9730E+01  1.6627E+01
  4.6127E+00  4.0667E+01 -2.7320E+01
 -9.6602E+02  2.8739E+03 -3.4290E+03
HC            1031    1.008000    0.040000
 -2.2028E+00  2.0000E+01  1.5110E+01
  4.8910E+00  1.9337E+00  2.0860E-01
  2.6247E+03  7.1690E+02  1.2379E+02
HC            1032    1.008000    0.040000
 -2.0168E+00  1.8351E+01  1.5807E+01
 -8.0762E+00 -7.5399E+00  2.1713E+01
  5.5035E+02  4.7917E+02 -2.3421E+02
CT            1033   12.011000    0.145000
 -8.7040E+00  8.4162E+00 -1.7260E+01
 -2.9029E-02  1.8498E-02 -4.5415E-01
  8.0425E+02  9.1469E+02 -2.4549E+03
OH            1034    0.000000   -0.683000
 -9.6130E+00  9.4892E+00 -1.7157E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1035    1.008000    0.418000
 -9.1156E+00  1.0291E+01 -1.7206E+01
  2.4883E+01 -1.3929E+01  7.0099E+00
  2.6696E+03 -2.4513E+03 -1.8134E+03
HC            1036    1.008000    0.040000
 -7.7716E+00  8.5828E+00 -1.6720E+01
 -8.0828E-01 -7.5827E+00  3.3761E+00
 -9.0292E+02 -7.1914E+02  1.6655E+03
HC            1037    1.008000    0.040000
 -8.4495E+00  8.2929E+00 -1.8312E+01
 -1.5285E+01 -1.2454E+00 -4.2306E+00
 -2.7141E+02 -5.2952E+02  2.4826E+00
HC            1038    1.008000    0.040000
 -9.2373E+00  7.5257E+00 -1.6927E+01
  6.9257E+00 -4.2369E+00 -4.9402E-01
  2.1304E+03 -9.5314E+02  3.3470E+02
CT            1039   12.011000    0.145000
  4.2570E+00 -8.7596E+00 -2.0116E+00
 -1.7078E-01 -2.5631E+00 -7.4303E-01
 -2.1162E+03 -3.7385E+02  1.3393E+03
OH            1040    0.000000   -0.683000
  5.0022E+00 -9.1358E+00 -8.7533E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1041    1.008000    0.418000
  5.7588E+00 -8.5926E+00 -1.0349E+00
 -2.2227E+01  3.1374E+01 -8.2717E+00
 -3.0694E+01 -3.8421E+03 -3.3871E+02
HC            1042    1.008000    0.040000
  4.4690E+00 -9.2424E+00 -2.9656E+00
  1.3833E+01  1.0602E+01 -4.6967E+00
  2.1047E+03 -1.5065E+03  1.7691E+03
HC            1043    1.008000    0.040000
  4.4283E+00 -7.7185E+00 -2.2854E+00
  1.4193E+00 -6.7589E+00 -1.6705E+01
 -1.1829E+03  1.1305E+02  1.3949E+03
HC            1044    1.008000    0.040000
  3.2217E+00 -8.9386E+00 -1.7214E+00
  2.4222E+00  3.5878E+00  1.3118E+01
 -4.3665E+02  1.1715E+03 -1.0384E+03
CT            1045   12.011000    0.145000
 -7.3124E+00 -6.7133E+00  1.4177E+01
  1.5075E+00 -2.2891E+00  2.8460E+00
  3.1335E+03 -3.3350E+03  8.7875E+01
OH            1046    0.000000   -0.683000
 -6.2768E+00 -5.7773E+00  1.4376E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1047    1.008000    0.418000
 -5.4990E+00 -6.2244E+00  1.4672E+01
 -6.4027E+00 -1.2061E+01 -7.5696E-01
 -8.3965E+02 -1.9730E+03 -1.0403E+03
HC            1048    1.008000    0.040000
 -8.1812E+00 -6.2522E+00  1.3707E+01
  1.8532E+00 -5.8327E+00 -1.3373E+00
 -5.3767E+02 -4.6923E+02  1.4257E+03
HC            1049    1.008000    0.040000
 -7.4646E+00 -7.0993E+00  1.5185E+01
 -5.6225E+00 -5.3505E+00  6.6089E-01
 -3.2408E+03 -1.1090E+03 -8.1498E+02
HC            1050    1.008000    0.040000
 -6.9160E+00 -7.4796E+00  1.3511E+01
  1.9874E+01  1.9282E+01 -1.2604E+01
 -7.4740E+02  4.0833E+02  2.3824E+02
CT            1051   12.011000    0.145000
  1.0224E+01 -9.6472E+00 -1.2010E+01
  4.5147E+00  6.4055E+00 -3.5314E-01
 -3.8092E+02  1.7612E+03  1.2121E+03
OH            1052    0.000000   -0.683000
  1.0787E+01 -9.9848E+00 -1.0762E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1053    1.008000    0.418000
  1.1717E+01 -9.8680E+00 -1.0884E+01
 -1.0921E+00 -3.6527E-01 -9.3694E+00
  4.9131E+02 -3.9994E+03  1.3039E+03
HC            1054    1.008000    0.040000
  1.0711E+01 -1.0325E+01 -1.2711E+01
 -1.3610E+01 -1.5108E+00 -5.8849E+00
 -2.4956E+03  1.1816E+03 -2.2466E+03
HC            1055    1.008000    0.040000
  1.0352E+01 -8.5805E+00 -1.2194E+01
 -1.4260E+01  9.9173E+00  4.8376E+00
  1.1403E+03 -7.7469E+02 -1.5036E+03
HC            1056    1.008000    0.040000
  9.1442E+00 -9.7806E+00 -1.1950E+01
  5.1281E+00 -3.6136E+00 -8.7397E+00
  1.5335E+02 -1.8837E+03 -1.7884E+03
CT            1057   12.011000    0.145000
 -2.7279E+00  1.5377E+01 -1.2548E+01
 -6.5508E-01 -2.9386E+00  5.8733E+00
 -1.0369E+03  1.5029E+03 -1.1186E+03
OH            1058    0.000000   -0.683000
 -3.8135E+00  1.4631E+01 -1.3050E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1059    1.008000    0.418000
 -3.5400E+00  1.3746E+01 -1.3237E+01
 -3.0993E+01 -1.0690E+01 -5.0199E-01
 -9.8772E+02  9.8354E+02 -7.1402E+02
HC            1060    1.008000    0.040000
 -1.8237E+00  1.4771E+01 -1.2497E+01
  5.2279E+00  4.5731E+00 -5.1013E+00
 -3.3338E+02  3.6094E+02  1.4809E+03
HC            1061    1.008000    0.040000
 -3.0621E+00  1.5801E+01 -1.1601E+01
  1.4042E+01  1.0287E+01  5.5489E+00
  2.7090E+03  6.9672E+02  4.0842E+02
HC            1062    1.008000    0.040000
 -2.4488E+00  1.6182E+01 -1.3227E+01
  1.5753E+01 -1.6994E+00  1.3594E+01
 -8.3309E+02  7.0369E+02  8.0563E+02
CT            1063   12.011000    0.145000
  7.9251E+00 -1.7395E+01  2.4708E+00
  5.9886E+00  2.5334E+00  6.5361E-01
  5.0159E+02  2.7664E+02 -1.0578E+03
OH            1064    0.000000   -0.683000
  7.4254E+00 -1.6133E+01  2.0904E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1065    1.008000    0.418000
  6.6533E+00 -1.5844E+01  2.5522E+00
  5.3667E+00  1.1230E+01  2.2924E+00
 -2.7046E+02 -1.7254E+03  8.7000E+01
HC            1066    1.008000    0.040000
  9.0095E+00 -1.7338E+01  2.5650E+00
  5.1716E+00  2.2085E+00  1.1522E+01
 -7.6662E+01 -3.0482E+02  4.5806E+02
HC            1067    1.008000    0.040000
  7.7712E+00 -1.8118E+01  1.6689E+00
  1.8396E+01 -1.0353E+01  9.3827E+00
 -1.1808E+03 -7.6260E+02  1.3253E+03
HC            1068    1.008000    0.040000
  7.5598E+00 -1.7794E+01  3.4174E+00
 -9.3499E+00 -4.0359E+00 -7.6633E+00
 -1.3339E+03  5.4547E+02 -6.7990E+02
CT            1069   12.011000    0.145000
  6.2853E+00  3.2396E-01  5.5673E+00
  3.7228E+00 -4.6690E+00 -7.8098E-01
  1.4479E+02 -2.5885E+03  2.3516E+03
OH            1070    0.000000   -0.683000
  7.2461E+00  9.6215E-01  6.3783E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1071    1.008000    0.418000
  8.0504E+00  9.1760E-01  5.8842E+00
 -7.3639E+00  2.7652E+00 -1.2688E+01
 -7.4917E+02 -2.2454E+02 -8.6841E+02
HC            1072    1.008000    0.040000
  5.8815E+00  7.6074E-01  4.6539E+00
  7.0630E+00 -1.7984E+01 -8.9036E+00
  2.5685E+03  2.2456E+03  6.7669E+02
HC            1073    1.008000    0.040000
  5.4422E+00  3.7053E-03  6.1794E+00
  1.6996E+01 -3.5883E+01  3.0746E+00
  1.0803E+03 -5.4961E+02 -2.8029E+02
HC            1074    1.008000    0.040000
  6.7960E+00 -5.8885E-01  5.2606E+00
 -5.1635E+00 -1.3076E+01  8.6621E+00
 -1.6463E+03 -7.1879E+02 -4.3395E+02
CT            1075   12.011000    0.145000
  5.5577E+00 -1.9792E+01 -8.3969E+00
  1.2671E+00 -1.1620E+00 -1.1201E-01
  3.9504E+03  1.9585E+03  5.9285E+02
OH            1076    0.000000   -0.683000
  5.4694E+00 -2.0019E+01 -7.0082E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1077    1.008000    0.418000
  6.0024E+00 -1.9464E+01 -6.4598E+00
  7.6173E-02 -1.4318E+01  1.5219E+01
  1.0713E+03 -8.9247E+02 -9.6365E+02
HC            1078    1.008000    0.040000
  4.6980E+00 -2.0153E+01 -8.9608E+00
  7.2465E+00  5.4676E-01 -1.0587E+01
  7.7086E+02 -1.0993E+03  4.9235E+02
HC            1079    1.008000    0.040000
  6.4562E+00 -2.0280E+01 -8.7746E+00
 -3.6689E-01 -4.8109E+00  6.7180E-01
 -2.1367E+02 -4.6234E+02 -4.1805E+02
HC            1080    1.008000    0.040000
  5.6680E+00 -1.8743E+01 -8.6736E+00
 -5.7380E+00 -3.9418E+00 -1.4376E+01
 -4.4742E+02  2.4818E+02  1.1746E+03
CT            1081   12.011000    0.145000
  1.8953E+01 -1.4550E+01 -1.2084E+00
  3.9499E+00  3.4000E-01 -5.4740E+00
 -3.9933E+03  8.4415E+02  5.0154E+03
OH            1082    0.000000   -0.683000
  1.7814E+01 -1.4326E+01 -2.0083E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1083    1.008000    0.418000
  1.7866E+01 -1.4948E+01 -2.7179E+00
 -2.7767E+01 -7.6411E+00  3.4611E+00
 -1.4047E+03  1.9543E+03 -7.2547E+02
HC            1084    1.008000    0.040000
  1.8752E+01 -1.5498E+01 -7.0844E-01
 -1.2670E+00 -1.4600E+00 -1.0860E+01
  1.7422E+03 -7.4187E+02 -4.6512E+02
HC            1085    1.008000    0.040000
  1.8860E+01 -1.3833E+01 -3.9241E-01
  1.6392E+00 -1.5537E+01  8.7719E+00
  1.6355E+03  1.1973E+02 -3.4548E+01
HC            1086    1.008000    0.040000
  1.9982E+01 -1.4503E+01 -1.5663E+00
  1.2466E+01  1.1269E+01  1.8330E+01
 -2.0598E+03  2.1581E+02 -1.6445E+03
CT            1087   12.011000    0.145000
  3.9210E+00  1.7583E+01  9.4492E+00
  7.4090E-01  2.4539E+00  1.7391E-01
  4.4572E+02  3.5762E+03 -3.6466E+03
OH            1088    0.000000   -0.683000
  5.2562E+00  1.7194E+01  9.2169E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1089    1.008000    0.418000
  5.7899E+00  1.7801E+01  9.7060E+00
  2.8264E+00 -2.4743E+01  3.0867E+01
 -1.7710E+03 -7.1782E+02 -4.3899E+02
HC            1090    1.008000    0.040000
  3.9691E+00  1.8656E+01  9.2600E+00
  1.5076E+01 -8.3451E-01 -1.7650E+01
 -1.2781E+03 -2.6615E+02 -8.1381E+02
HC            1091    1.008000    0.040000
  3.4005E+00  1.7462E+01  1.0399E+01
 -5.1002E+00 -1.0386E+01 -4.4361E+00
  2.8556E+03 -1.9252E+03  7.2224E+02
HC            1092    1.008000    0.040000
  3.2559E+00  1.7147E+01  8.7042E+00
 -1.3021E+01  3.7541E+00  1.1278E+01
 -2.7781E+02 -1.6710E+02  6.0344E+02
CT            1093   12.011000    0.145000
  3.6094E+00 -1.3344E+01  1.8402E+01
 -3.9030E-01  1.1427E+00 -1.8606E+00
 -3.9900E+03  6.2891E+02 -5.6879E+03
OH            1094    0.000000   -0.683000
  4.4771E+00 -1.4202E+01  1.7695E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1095    1.008000    0.418000
  5.3016E+00 -1.3747E+01  1.7617E+01
  1.8401E+01 -3.1649E+01 -8.1140E+00
 -9.3878E+02 -1.2748E+03 -5.2493E+02
HC            1096    1.008000    0.040000
  2.6651E+00 -1.3762E+01  1.8053E+01
 -1.9995E+00 -6.8137E+00  1.1367E+01
 -2.0622E+03  4.0384E+02  3.9376E+03
HC            1097    1.008000    0.040000
  3.6688E+00 -1.2348E+01  1.7962E+01
  2.2160E+01 -4.2436E+00 -1.2474E+01
  1.0876E+03 -2.5489E+01  8.7947E+02
HC            1098    1.008000    0.040000
  3.7108E+00 -1.3303E+01  1.9486E+01
 -6.8398E-01  1.2577E+00 -1.8373E+00
 -8.2295E+00 -1.1041E+03 -4.6776E+02
CT            1099   12.011000    0.145000
  1.3767E+01  1.5151E+01 -1.0888E+01
 -2.6361E+00 -5.2410E+00  4.5985E+00
  1.8917E+03 -1.2999E+03 -1.1126E+03
OH            1100    0.000000   -0.683000
  1.4829E+01  1.5409E+01 -9.9969E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1101    1.008000    0.418000
  1.5497E+01  1.5827E+01 -1.0519E+01
  1.6020E+01 -1.1092E+01  1.0688E+01
  1.9257E+03 -5.0224E+02  2.5666E+03
HC            1102    1.008000    0.040000
  1.4110E+01  1.4381E+01 -1.1579E+01
  4.1029E+00  1.1263E+00  6.9806E-01
 -2.5723E+01 -6.9880E+01 -7.4861E+01
HC            1103    1.008000    0.040000
  1.3600E+01  1.6007E+01 -1.1543E+01
 -4.5023E+00 -1.8229E+01 -1.2616E+01
 -1.2231E+03 -4.9059E+01  1.1928E+03
HC            1104    1.008000    0.040000
  1.2847E+01  1.4805E+01 -1.0416E+01
  1.4691E+00 -4.6080E+00  1.3257E+01
  2.3922E+02  8.2963E+02  6.0932E+02
CT            1105   12.011000    0.145000
 -4.1326E+00 -3.3864E+00 -4.2603E+00
  4.8257E+00  4.2203E+00 -4.0170E+00
 -4.6645E+02  2.2363E+03 -1.4503E+03
OH            1106    0.000000   -0.683000
 -4.6191E+00 -3.9729E+00 -5.4467E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1107    1.008000    0.418000
 -5.3239E+00 -3.4109E+00 -5.7306E+00
  2.0971E+00  1.5774E+00 -2.1256E+00
 -4.0403E+02 -6.6238E+02 -2.4467E+02
HC            1108    1.008000    0.040000
 -4.9326E+00 -2.8642E+00 -3.7355E+00
 -5.1653E+00 -3.0260E-01 -1.4316E+01
 -1.5307E+03 -1.9172E+03 -5.4224E+02
HC            1109    1.008000    0.040000
 -3.4666E+00 -2.5321E+00 -4.3815E+00
 -1.4467E+01  2.0904E+01  1.8956E+00
 -1.0694E+02 -1.1385E+03 -2.7891E+03
HC            1110    1.008000    0.040000
 -3.6415E+00 -4.0243E+00 -3.5255E+00
  3.9114E+00 -5.3278E+00 -1.1493E+01
 -6.6926E+02 -2.7241E+03 -2.2268E+03
CT            1111   12.011000    0.145000
  1.8689E+01  1.6064E+01 -1.5737E+01
 -1.2175E+00  7.6478E+00 -4.6495E+00
 -1.5976E+02 -2.7994E+03 -4.1232E+03
OH            1112    0.000000   -0.683000
  1.7301E+01  1.5820E+01 -1.5758E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1113    1.008000    0.418000
  1.6864E+01  1.6490E+01 -1.6260E+01
  9.9777E+00  9.9569E+00  4.1783E+00
  2.6518E+03  3.1558E+03  1.8954E+03
HC            1114    1.008000    0.040000
  1.9074E+01  1.5124E+01 -1.5341E+01
 -3.8240E+00  1.2940E+01  1.1181E+01
  2.0825E+03  1.9456E+03  2.5030E+03
HC            1115    1.008000    0.040000
  1.8921E+01  1.6945E+01 -1.5138E+01
 -2.2101E+00  7.3667E+00 -3.8485E+00
  1.5581E+03 -8.8405E+02 -1.9897E+01
HC            1116    1.008000    0.040000
  1.9096E+01  1.6055E+01 -1.6748E+01
 -2.1759E+00 -2.3240E+01 -5.7167E+00
 -4.9104E+02  1.9501E+03  6.7742E+02
CT            1117   12.011000    0.145000
 -6.0339E-01  1.7400E+01  1.2103E+01
 -1.4500E+00 -5.2227E+00 -1.9912E+00
  3.3039E+02  7.6611E+03 -1.8730E+03
OH            1118    0.000000   -0.683000
  6.7357E-01  1.7275E+01  1.1518E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1119    1.008000    0.418000
  1.1994E+00  1.7034E+01  1.2266E+01
  7.2300E+00  1.0166E+00 -4.6580E+00
  1.9910E+03  8.3764E+02 -1.1374E+03
HC            1120    1.008000    0.040000
 -1.0705E+00  1.8258E+01  1.1619E+01
 -1.4953E+00 -6.5070E+00 -4.2379E+00
 -5.4426E+01 -2.3732E+02 -1.6489E+03
HC            1121    1.008000    0.040000
 -5.0746E-01  1.7848E+01  1.3092E+01
  1.2881E+01  1.3837E+01 -1.1365E+01
  5.8821E+02 -2.3628E+03  2.4923E+02
HC            1122    1.008000    0.040000
 -1.4162E+00  1.6679E+01  1.2011E+01
 -5.5937E+00  1.1823E+00 -1.9593E+01
  3.5178E+03 -2.5249E+03 -1.9270E+02
CT            1123   12.011000    0.145000
  1.1918E+01 -3.0463E+00  1.8813E+01
  5.8011E-01  1.8678E+00 -1.6074E+00
  1.8424E+03 -8.7796E+02 -4.4267E+03
OH            1124    0.000000   -0.683000
  1.0617E+01 -3.1112E+00  1.8272E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1125    1.008000    0.418000
  1.0342E+01 -2.2142E+00  1.8384E+01
  2.2010E+01  7.3449E+00  9.0549E-02
 -1.8717E+02 -4.8985E+02 -1.7105E+03
HC            1126    1.008000    0.040000
  1.2115E+01 -2.7020E+00  1.9828E+01
  4.0764E+00 -3.8444E+00 -3.0440E-01
 -2.4401E+03 -3.9555E+03  1.4157E+03
HC            1127    1.008000    0.040000
  1.2623E+01 -2.3823E+00  1.8313E+01
 -5.5523E+00 -1.6242E-01 -1.3328E+01
 -1.5291E+03 -7.9178E+02 -3.6923E+03
HC            1128    1.008000    0.040000
  1.2168E+01 -4.0774E+00  1.8564E+01
  7.4075E+00  3.5368E+00 -1.8447E+00
  4.9699E+03  1.2749E+02  3.6398E+03
CT            1129   12.011000    0.145000
 -2.7341E+00  5.6915E+00 -1.5816E-01
 -2.3803E+00  2.7917E+00 -6.0832E-01
 -3.6137E+03  1.9964E+02  5.7686E+02
OH            1130    0.000000   -0.683000
 -3.0044E+00  5.1762E+00 -1.4425E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1131    1.008000    0.418000
 -3.7765E+00  4.6372E+00 -1.3625E+00
 -3.4901E+00 -2.3033E+00 -3.4280E+01
 -6.4792E+02  2.0905E+03 -2.8124E+03
HC            1132    1.008000    0.040000
 -1.7548E+00  5.4293E+00  2.4228E-01
  8.9397E+00  2.6158E+01 -1.1036E+01
  1.9002E+01  1.6815E+03 -1.0964E+03
HC            1133    1.008000    0.040000
 -3.5263E+00  5.2903E+00  4.7394E-01
 -1.1390E+01  2.6828E+00 -1.1648E+01
  3.2033E+02 -2.4095E+02  2.8888E+02
HC            1134    1.008000    0.040000
 -2.9466E+00  6.7605E+00 -1.5781E-01
 -4.5483E+00  2.3739E+00 -3.4715E+00
  2.5778E+03  5.3140E+02  5.2065E+02
CT            1135   12.011000    0.145000
  1.0212E+01  1.3376E+01 -2.0416E+01
  5.9667E-01 -8.2046E-01 -3.5236E+00
 -5.0194E+02 -5.5603E+03  9.0682E+01
OH            1136    0.000000   -0.683000
  8.8277E+00  1.3470E+01  2.0232E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1137    1.008000    0.418000
  8.6201E+00  1.2829E+01  1.9570E+01
 -7.6659E+00  2.0366E+00  3.3713E-01
 -2.0811E+02  5.2562E+01  9.9826E+01
HC            1138    1.008000    0.040000
  1.0785E+01  1.3677E+01  1.9608E+01
  9.7057E+00 -9.2414E+00 -6.3831E-01
  1.4211E+03  1.8206E+03  1.9631E+03
HC            1139    1.008000    0.040000
  1.0451E+01  1.2316E+01 -2.0339E+01
 -3.1030E+00 -3.1154E+00 -1.9913E+01
 -2.4117E+02 -4.0912E+02 -1.2704E+03
HC            1140    1.008000    0.040000
  1.0553E+01  1.3770E+01 -1.9458E+01
  1.7597E+01  2.2736E+01 -1.8167E+01
  2.2910E+02  3.3442E+03 -2.2768E+03
CT            1141   12.011000    0.145000
 -1.5688E+01  2.1945E-01 -4.4477E+00
 -3.3418E+00 -8.3879E-01  6.1115E-01
  2.6240E+03 -1.1944E+02  4.2781E+03
OH            1142    0.000000   -0.683000
 -1.5376E+01 -1.1429E+00 -4.6356E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1143    1.008000    0.418000
 -1.6079E+01 -1.4084E+00 -5.2090E+00
  1.3757E+01 -2.0265E+01 -8.6529E+00
  1.8311E+03 -4.6827E+03  3.8401E+02
HC            1144    1.008000    0.040000
 -1.6566E+01  4.0066E-01 -3.8285E+00
 -1.5371E+01 -7.4237E+00 -1.3888E+01
 -1.1622E+03 -1.6229E+03 -1.4577E+03
HC            1145    1.008000    0.040000
 -1.5779E+01  7.5208E-01 -5.3942E+00
  1.5186E+01 -1.6807E+01 -1.0941E+01
  9.9608E+02 -6.4112E+02  6.1944E+02
HC            1146    1.008000    0.040000
 -1.4863E+01  5.8973E-01 -3.8379E+00
  4.5921E+00 -1.6629E+01 -1.0729E-02
  7.3064E+02  1.0781E+03 -1.6038E+03
CT            1147   12.011000    0.145000
  4.5420E+00 -1.2711E+01  5.9387E+00
 -1.2836E-01  1.1579E+00  4.1363E-01
 -6.8184E+01  1.8951E+03 -7.8359E+02
OH            1148    0.000000   -0.683000
  3.1434E+00 -1.2815E+01  5.7931E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1149    1.008000    0.418000
  2.8355E+00 -1.2901E+01  6.6823E+00
 -9.0524E+00 -1.1197E+01 -3.9728E+00
 -3.1597E+03 -5.0561E+02 -1.2460E+03
HC            1150    1.008000    0.040000
  4.9686E+00 -1.3698E+01  6.1155E+00
  9.0177E+00  8.4458E+00  2.2607E+01
  1.4358E+03  1.2453E+03 -1.2171E+03
HC            1151    1.008000    0.040000
  4.7614E+00 -1.2089E+01  6.8067E+00
  7.2772E-01  5.1010E+00 -2.5973E+00
  7.5890E+02 -2.4930E+02 -2.9876E+00
HC            1152    1.008000    0.040000
  4.8989E+00 -1.2158E+01  5.0693E+00
  7.6794E+00 -5.9800E+00 -1.0460E+00
  2.3057E+03 -2.1722E+03 -6.0328E+02
CT            1153   12.011000    0.145000
  1.6407E+01  3.3824E+00  1.0735E+01
  1.0383E+00  3.3870E+00  3.1103E-01
  3.6278E+03  1.1398E+03 -3.2074E+03
OH            1154    0.000000   -0.683000
  1.7390E+01  2.9918E+00  1.1668E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1155    1.008000    0.418000
  1.6832E+01  2.6286E+00  1.2338E+01
  8.1474E+00 -2.2992E+00  5.6906E+00
  2.2135E+03 -8.5819E+02  1.3645E+03
HC            1156    1.008000    0.040000
  1.5839E+01  2.6022E+00  1.0229E+01
  4.0581E+01 -2.4786E+01 -5.3586E+00
  1.5178E+03 -9.8797E+02  4.4837E+03
HC            1157    1.008000    0.040000
  1.6901E+01  3.7822E+00  9.8499E+00
  6.4761E-01 -1.5050E+00 -2.1500E+00
  7.7423E+02  1.7388E+03  8.2785E+02
HC            1158    1.008000    0.040000
  1.5782E+01  4.1540E+00  1.1185E+01
 -6.8126E+00  1.4078E+00 -6.9432E+00
 -6.3996E+02 -2.0006E+02 -1.2155E+03
CT            1159   12.011000    0.145000
 -3.6156E+00 -1.4582E+01 -1.7780E+01
 -9.3611E+00 -3.3009E+00  4.2750E+00
  7.5085E+02 -1.4825E+03 -9.5965E+02
OH            1160    0.000000   -0.683000
 -2.9343E+00 -1.5626E+01 -1.7121E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1161    1.008000    0.418000
 -2.1994E+00 -1.5315E+01 -1.6615E+01
  2.3196E+01 -1.0356E+01 -2.4814E+01
 -1.4965E+03  1.5834E+03 -1.4544E+03
HC            1162    1.008000    0.040000
 -4.1501E+00 -1.3753E+01 -1.7315E+01
 -9.7559E+00  1.4651E+01 -2.5558E+01
  2.0757E+03 -2.6973E+03  2.9289E+03
HC            1163    1.008000    0.040000
 -4.3460E+00 -1.4974E+01 -1.8487E+01
  6.3590E+00 -5.3190E+00 -1.1538E+01
  9.0470E+02 -9.3659E+02  1.5575E+02
HC            1164    1.008000    0.040000
 -2.9109E+00 -1.4047E+01 -1.8416E+01
 -1.3244E+01 -2.9615E+00  2.1318E-01
 -2.5572E+02 -2.2728E+02 -4.8654E+02
CT            1165   12.011000    0.145000
  6.8204E+00 -4.4447E+00  1.9082E+01
  1.1045E+00 -1.8046E+00  1.1586E+00
  1.5698E+03 -3.0809E+03 -2.2441E+03
OH            1166    0.000000   -0.683000
  5.5968E+00 -5.1413E+00  1.9159E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1167    1.008000    0.418000
  5.0317E+00 -4.6260E+00  1.9714E+01
  4.0537E+00 -9.8522E-01  5.1209E+00
 -6.9975E+02  1.5882E+03 -2.4184E+03
HC            1168    1.008000    0.040000
  7.1393E+00 -3.9376E+00  1.9993E+01
  1.7369E+01 -1.9476E+00 -4.1359E+00
 -6.4190E+02  7.8054E+02 -8.6455E+02
HC            1169    1.008000    0.040000
  6.7531E+00 -3.8431E+00  1.8176E+01
  1.2119E+01 -1.5702E+01 -9.3506E+00
  1.9034E+03  1.5666E+03  1.4877E+03
HC            1170    1.008000    0.040000
  7.5551E+00 -5.2341E+00  1.8925E+01
  1.7866E+01  1.0759E+01  1.2717E+01
  1.6289E+03  1.7460E+03 -6.4822E+02
CT            1171   12.011000    0.145000
  1.8562E+01  2.3547E+00 -1.7123E+01
 -2.4111E+00 -2.6907E+00 -1.7136E-01
  5.4737E+02  3.1229E+03  1.5413E+03
OH            1172    0.000000   -0.683000
  1.7872E+01  3.0426E+00 -1.8142E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1173    1.008000    0.418000
  1.8382E+01  3.7317E+00 -1.8539E+01
 -9.5642E+00  1.2713E+01  8.9295E+00
  2.2603E+03 -6.6327E+02  2.7175E+03
HC            1174    1.008000    0.040000
  1.8102E+01  2.9119E+00 -1.6306E+01
  1.3224E+00  6.7220E+00 -4.3480E+00
  2.2247E+03 -2.9896E+03  3.1933E+03
HC            1175    1.008000    0.040000
  1.9615E+01  2.6061E+00 -1.7250E+01
  4.0070E+00 -2.5621E+01  3.0955E+00
  9.2557E+02 -3.2523E+03  2.3827E+03
HC            1176    1.008000    0.040000
  1.8392E+01  1.2783E+00 -1.7144E+01
  1.5211E+01 -5.8452E+00  2.9970E+00
  1.1032E+03  3.0806E+02  1.1249E+03
CT            1177   12.011000    0.145000
 -1.7785E+01 -1.2170E+01 -1.4292E+01
  4.3214E-01 -9.0995E+00 -6.2824E-01
 -2.5103E+03  3.9115E+03 -1.4522E+02
OH            1178    0.000000   -0.683000
 -1.8483E+01 -1.2278E+01 -1.3072E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1179    1.008000    0.418000
 -1.8050E+01 -1.1784E+01 -1.2393E+01
  4.8025E+00 -6.4507E+00  1.7384E+00
  1.1221E+03  1.7781E+03 -2.1982E+03
HC            1180    1.008000    0.040000
 -1.8476E+01 -1.2419E+01 -1.5098E+01
  4.7536E+00 -1.5715E+01 -2.3752E+00
  1.9085E+03 -3.5670E+03 -6.7570E+02
HC            1181    1.008000    0.040000
 -1.6882E+01 -1.2779E+01 -1.4249E+01
 -1.3841E+01 -3.1410E+01 -5.6630E-01
 -6.5794E+02  7.0647E+02 -2.1354E+03
HC            1182    1.008000    0.040000
 -1.7625E+01 -1.1112E+01 -1.4500E+01
  1.1522E+01 -8.6449E+00  9.1584E+00
  2.6388E+03  1.1638E+02  1.3894E+03
CT            1183   12.011000    0.145000
 -4.7193E-01  1.8356E+01 -4.3034E+00
  9.5888E-01  4.6676E+00  6.8346E+00
 -1.3062E+02 -1.6353E+03  2.1638E+03
OH            1184    0.000000   -0.683000
  8.5905E-01  1.7904E+01 -4.1918E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1185    1.008000    0.418000
  1.2455E+00  1.8329E+01 -3.4410E+00
 -2.3218E+01  1.8673E+01  2.5926E+00
 -2.3517E+03  2.0329E+03 -6.8155E+02
HC            1186    1.008000    0.040000
 -5.0083E-01  1.9187E+01 -5.0081E+00
  2.8787E+01 -6.6346E+00 -9.2869E+00
  1.4985E+02  8.2194E+02  3.3223E+03
HC            1187    1.008000    0.040000
 -8.8427E-01  1.8504E+01 -3.3052E+00
  1.0409E+00  2.1793E+01  4.6405E+00
  5.5528E+02  3.1624E+03 -1.6515E+02
HC            1188    1.008000    0.040000
 -1.1757E+00  1.7624E+01 -4.6986E+00
  1.5821E+01 -5.6588E+00 -1.4925E+00
  2.6608E+03 -1.5854E+03 -1.5148E+03
CT            1189   12.011000    0.145000
  1.4560E+01  4.2271E+00  1.4122E+00
 -1.9399E+00 -4.4797E+00 -3.6310E+00
 -2.3963E+03  2.6018E+03 -1.7349E+03
OH            1190    0.000000   -0.683000
  1.3481E+01  3.9915E+00  2.2893E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1191    1.008000    0.418000
  1.3726E+01  3.2418E+00  2.8097E+00
  1.7972E-01 -2.7165E+01 -3.5396E+01
  6.0878E+02  6.5313E+02 -2.6461E+03
HC            1192    1.008000    0.040000
  1.4253E+01  5.2416E+00  1.1576E+00
  3.4886E+00  2.2333E+00  1.4927E+01
  3.3625E+03  3.1207E+02 -2.0420E+03
HC            1193    1.008000    0.040000
  1.4596E+01  3.5463E+00  5.6180E-01
 -1.5366E+00 -2.5392E+01  1.2314E+01
 -5.1818E+02 -2.5540E+02  9.1750E+02
HC            1194    1.008000    0.040000
  1.5536E+01  4.2197E+00  1.8976E+00
 -8.5941E-02 -1.0135E+01 -7.3437E+00
 -5.2615E+02  1.4902E+03  3.3817E+02
CT            1195   12.011000    0.145000
  8.6279E+00 -1.6018E+01 -1.4726E+01
 -9.0251E-01 -3.3561E+00  4.0372E+00
 -1.9429E+03  2.5353E+02  4.6508E+03
OH            1196    0.000000   -0.683000
  7.3188E+00 -1.6233E+01 -1.5204E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1197    1.008000    0.418000
  6.8673E+00 -1.6914E+01 -1.4729E+01
 -1.4548E+00 -5.6709E+00 -9.2641E+00
  9.9824E+02  1.1080E+03  2.0336E+03
HC            1198    1.008000    0.040000
  8.6915E+00 -1.4947E+01 -1.4535E+01
  4.0915E+00 -2.7123E+00 -9.6645E-01
  2.5240E+03  3.7199E+02 -2.3171E+03
HC            1199    1.008000    0.040000
  9.4120E+00 -1.6430E+01 -1.5361E+01
 -1.1957E+01 -3.3997E+00 -1.0078E+01
 -8.8467E+02  1.4238E+03 -1.0630E+03
HC            1200    1.008000    0.040000
  8.7517E+00 -1.6407E+01 -1.3715E+01
 -1.2541E+01  8.5164E-01  7.2449E+00
 -1.0197E+03 -1.3038E+03 -1.7310E+02
CT            1201   12.011000    0.145000
  1.5552E+01  1.0756E+01  1.9454E+01
  9.6699E-02 -1.3598E+00  1.3940E+00
  2.2876E+02  2.4884E+02  1.1573E+02
OH            1202    0.000000   -0.683000
  1.4599E+01  1.1467E+01  2.0211E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1203    1.008000    0.418000
  1.5023E+01  1.1666E+01 -1.9868E+01
  7.8557E+00 -1.7785E+01  7.1095E-01
  4.8232E+02  1.9720E+02 -7.6602E+02
HC            1204    1.008000    0.040000
  1.6336E+01  1.0396E+01  2.0120E+01
 -9.7381E+00 -1.6034E+01  5.5419E+00
 -5.2977E+01 -8.0341E+02 -7.9625E+02
HC            1205    1.008000    0.040000
  1.5960E+01  1.1431E+01  1.8702E+01
  7.5422E+00 -1.5591E+01 -7.7806E+00
  4.8180E+02 -1.5408E+03 -8.5058E+02
HC            1206    1.008000    0.040000
  1.5008E+01  9.9262E+00  1.9003E+01
 -1.5620E+01  7.1393E+00  3.9876E+00
  1.4247E+03  1.4553E+02 -9.6449E+02
CT            1207   12.011000    0.145000
  9.3560E+00 -1.7024E+00  2.2415E+00
 -6.9317E+00  4.7964E+00  2.7854E+00
 -3.4908E+03  1.4767E+03  2.1666E+03
OH            1208    0.000000   -0.683000
  8.5074E+00 -2.8004E+00  1.9921E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1209    1.008000    0.418000
  8.0929E+00 -3.0251E+00  2.8111E+00
 -8.3107E+00 -1.9047E+00 -4.6130E+00
 -1.0036E+03  1.0675E+02 -5.4524E+02
HC            1210    1.008000    0.040000
  9.7211E+00 -1.6388E+00  1.2164E+00
  1.7826E+00 -2.8857E+00  5.2741E+00
  4.7118E+03  4.0358E+03  2.3588E+03
HC            1211    1.008000    0.040000
  1.0073E+01 -1.8437E+00  3.0506E+00
  1.3672E+01  1.5023E+01 -1.2727E+01
  2.7047E+03 -1.9710E+03 -3.3889E+03
HC            1212    1.008000    0.040000
  8.7678E+00 -8.3841E-01  2.5508E+00
 -2.0871E+01  9.0253E+00 -3.1133E+01
 -4.5617E+02  2.0017E+02 -3.2991E+03
CT            1213   12.011000    0.145000
  1.7288E+00  1.5024E+01  4.3278E+00
  3.0803E+00  6.2663E-01  2.3435E+00
 -1.1484E+01  2.7185E+03 -3.2710E+03
OH            1214    0.000000   -0.683000
  2.5037E+00  1.4152E+01  3.5358E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1215    1.008000    0.418000
  2.2813E+00  1.3307E+01  3.8958E+00
  2.2970E+01 -1.8442E+01 -2.4957E+01
  2.7750E+03 -3.0451E+03 -6.7473E+03
HC            1216    1.008000    0.040000
  7.1566E-01  1.5205E+01  3.9683E+00
  9.4550E+00  1.4868E+01 -9.5518E+00
  1.1556E+03 -1.2298E+03 -3.3748E+03
HC            1217    1.008000    0.040000
  2.1589E+00  1.6025E+01  4.3631E+00
 -2.8204E+00  3.1503E+00  3.9363E+00
  7.3107E+02 -1.2519E+02 -1.2976E+03
HC            1218    1.008000    0.040000
  1.4300E+00  1.4866E+01  5.3641E+00
 -1.3950E+01  1.8189E+01  6.9413E-01
  4.5097E+03 -3.7523E+03 -7.9896E+02
CT            1219   12.011000    0.145000
 -1.7249E+01  2.0012E+01  4.7816E+00
 -1.8650E+00 -2.2916E+00 -1.0084E+00
 -8.8789E+02 -8.4850E+02 -8.6007E+02
OH            1220    0.000000   -0.683000
 -1.8375E+01 -2.0075E+01  5.0263E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1221    1.008000    0.418000
 -1.8706E+01 -1.9921E+01  4.1547E+00
  2.3730E+01 -1.9549E+01 -1.3777E+01
  2.6507E+03  3.6463E+02  1.3833E+02
HC            1222    1.008000    0.040000
 -1.6478E+01 -2.0376E+01  4.2054E+00
  6.3419E+00 -2.2495E+01 -8.8847E+00
 -1.8863E+01 -2.5830E+02  7.9737E+02
HC            1223    1.008000    0.040000
 -1.7554E+01  1.9135E+01  4.2109E+00
 -1.6347E+01 -8.0051E+00  1.4664E+01
 -2.2100E+02  5.4817E+02 -7.2640E+01
HC            1224    1.008000    0.040000
 -1.6817E+01  1.9610E+01  5.6982E+00
  3.0944E+00  5.0916E+00 -1.6163E-02
  4.8960E+02  1.2543E+03  2.0726E+02
CT            1225   12.011000    0.145000
  3.4524E+00  1.2862E+01  1.2304E+01
  3.8314E+00  1.2502E+00  1.4855E+00
  7.7841E+02 -6.4969E+02  1.1357E+03
OH            1226    0.000000   -0.683000
  4.0776E+00  1.1887E+01  1.1500E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1227    1.008000    0.418000
  4.3685E+00  1.1231E+01  1.2114E+01
 -7.2500E+00  4.2159E+00  8.1608E+00
 -2.8364E+02 -4.5688E+02 -6.1197E+02
HC            1228    1.008000    0.040000
  4.2409E+00  1.3169E+01  1.2992E+01
 -1.0635E+01 -1.3793E+01  2.6316E+01
 -2.4180E+03  1.1317E+03  1.0976E+03
HC            1229    1.008000    0.040000
  2.6847E+00  1.2380E+01  1.2909E+01
  2.0345E+01  2.8778E+00  2.5114E+01
  8.6338E+02  9.3438E+02  6.9236E+02
HC            1230    1.008000    0.040000
  3.0329E+00  1.3691E+01  1.1734E+01
  9.3900E+00 -5.1674E+00 -1.2384E+01
  7.9445E+02 -4.6730E+02 -6.9200E+02
CT            1231   12.011000    0.145000
 -5.8892E+00  3.1290E-01  7.4660E+00
  1.2948E+00 -2.8747E+00 -1.1401E+00
  1.4872E+03  2.1377E+03 -4.5894E+02
OH            1232    0.000000   -0.683000
 -6.4985E+00  5.3870E-01  6.2146E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1233    1.008000    0.418000
 -6.4277E+00 -3.4826E-01  5.8963E+00
 -7.8860E+00  1.4021E-02 -2.0010E+00
 -2.9217E+03  1.8504E+03 -5.7498E+03
HC            1234    1.008000    0.040000
 -6.4741E+00 -2.9391E-01  8.1573E+00
  6.3012E+00  2.3782E+01  2.8861E+01
  5.3803E+02  2.2339E+03  6.3915E+01
HC            1235    1.008000    0.040000
 -5.6222E+00  1.2827E+00  7.8859E+00
  1.2890E+01 -4.9895E+00 -3.2885E+00
 -1.9105E+03 -5.2629E+02  2.2379E+03
HC            1236    1.008000    0.040000
 -4.9074E+00 -1.4230E-01  7.3362E+00
  2.9088E+00  4.2427E-01 -6.0635E-01
 -4.1989E+02 -8.3150E+02 -3.5018E+02
CT            1237   12.011000    0.145000
  2.4215E+00 -7.6744E+00  7.9540E+00
  2.9627E+00 -2.4195E-01 -1.7494E+00
 -4.3661E+03  1.2705E+03 -3.3261E+03
OH            1238    0.000000   -0.683000
  2.6404E+00 -6.2941E+00  8.1406E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1239    1.008000    0.418000
  2.0469E+00 -5.7877E+00  7.6073E+00
  9.5573E-01 -6.4446E+00 -7.3657E+00
 -1.1854E+03 -2.0896E+03 -5.8472E+02
HC            1240    1.008000    0.040000
  3.0169E+00 -8.3690E+00  8.5467E+00
 -6.4346E+00  8.0367E+00  1.8337E+01
 -1.0623E+03  2.6025E+03  2.9566E+03
HC            1241    1.008000    0.040000
  2.5139E+00 -8.1221E+00  6.9645E+00
 -1.1449E+01  9.1714E+00 -7.6888E+00
  2.1974E+03  4.7703E+03 -1.8154E+03
HC            1242    1.008000    0.040000
  1.3661E+00 -7.9182E+00  8.0753E+00
  1.0896E+01 -2.6468E+01  2.8095E+01
  1.2094E+03 -3.9986E+01  3.3738E+03
CT            1243   12.011000    0.145000
  6.9876E+00  9.1023E+00 -1.5255E+00
  5.7097E+00 -3.6394E+00 -5.1940E-01
 -5.9446E+03  1.1857E+03  1.4355E+02
OH            1244    0.000000   -0.683000
  6.8254E+00  9.0604E+00 -2.9255E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1245    1.008000    0.418000
  6.3289E+00  9.8090E+00 -3.2189E+00
  7.9905E+00  3.1785E+00 -5.7790E+00
 -3.2626E+02 -9.4502E+02 -1.5113E+03
HC            1246    1.008000    0.040000
  5.9920E+00  9.0066E+00 -1.0921E+00
 -7.9368E+00 -3.8955E-01 -2.8843E+01
  3.9853E+02 -2.5428E+03 -8.4163E+02
HC            1247    1.008000    0.040000
  7.1863E+00  1.0129E+01 -1.2179E+00
 -1.1677E+01  2.2511E+00 -7.6865E+00
  3.8013E+03 -1.5585E+03  2.3792E+02
HC            1248    1.008000    0.040000
  7.6751E+00  8.3121E+00 -1.2239E+00
  3.1078E+01  2.2505E+01  1.5403E+01
 -2.6816E+02  2.6820E+03  2.3598E+03
CT            1249   12.011000    0.145000
  5.2629E+00  1.1513E+01  3.5395E+00
  9.2955E-01  2.3759E+00  1.7615E+00
  2.7569E+02 -4.2234E+01  5.9689E+02
OH            1250    0.000000   -0.683000
  6.5880E+00  1.1317E+01  3.0993E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1251    1.008000    0.418000
  7.0710E+00  1.1402E+01  3.9070E+00
  1.8024E+01  1.0973E+01 -1.1223E+01
  4.5703E+02 -1.7944E+03 -8.1863E+02
HC            1252    1.008000    0.040000
  4.7973E+00  1.2200E+01  2.8328E+00
  1.3577E+01  1.4286E+01  4.5660E+00
 -2.1127E+03 -1.2980E+03  8.8698E+02
HC            1253    1.008000    0.040000
  5.2970E+00  1.1955E+01  4.5353E+00
 -1.1065E+01 -8.0205E+00  7.0681E+00
 -9.8945E+02  1.3167E+03 -8.1643E+02
HC            1254    1.008000    0.040000
  4.6928E+00  1.0597E+01  3.6895E+00
 -2.8919E+01  1.8416E+01 -5.6142E+00
 -4.4050E+01  9.9694E+02 -1.4383E+03
CT            1255   12.011000    0.145000
  1.2837E+01  1.9319E+00 -1.5437E+01
  5.6974E+00 -5.2062E-01  3.4875E+00
 -1.6722E+03  9.3920E+02 -6.8879E+02
OH            1256    0.000000   -0.683000
  1.3388E+01  2.9867E+00 -1.6193E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1257    1.008000    0.418000
  1.3965E+01  2.6288E+00 -1.6850E+01
  1.4047E+01 -2.3163E+01  2.3008E+01
  4.0470E+02 -1.8875E+03  2.6760E+03
HC            1258    1.008000    0.040000
  1.2221E+01  2.2578E+00 -1.4599E+01
  1.0164E+01  2.6035E+01 -2.6453E+00
  1.9940E+02  2.4206E+03 -1.3121E+03
HC            1259    1.008000    0.040000
  1.3655E+01  1.3649E+00 -1.4992E+01
  1.1910E+01 -5.9184E+00 -1.3990E+01
 -1.4108E+03 -3.9843E+03 -3.2470E+03
HC            1260    1.008000    0.040000
  1.2165E+01  1.4216E+00 -1.6127E+01
  7.1772E+00 -1.8324E+01  1.4568E+01
  1.6894E+03 -3.8707E+03  1.2775E+03
CT            1261   12.011000    0.145000
 -4.4480E+00  9.2835E+00 -2.2744E-01
 -3.5144E+00  7.5316E+00 -2.1002E+00
 -2.0036E+03  4.8899E+03 -7.0442E+02
OH            1262    0.000000   -0.683000
 -3.4293E+00  9.9480E+00  4.8582E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1263    1.008000    0.418000
 -2.9647E+00  1.0497E+01 -1.2683E-01
  5.1429E-01  7.4627E+00  6.9117E+00
 -3.9665E+02 -1.0921E+03 -1.0024E+03
HC            1264    1.008000    0.040000
 -5.1310E+00  1.0079E+01 -5.2406E-01
 -9.0168E+00  4.9704E+00  3.4682E+00
 -1.4339E+03 -4.0345E+02  7.3951E+02
HC            1265    1.008000    0.040000
 -4.9654E+00  8.5818E+00  4.2679E-01
  1.1988E+01  4.0302E+00  6.9166E+00
  1.0906E+02  8.7107E+01 -7.0512E+02
HC            1266    1.008000    0.040000
 -4.1937E+00  8.7991E+00 -1.1702E+00
  7.2065E+00 -1.1496E+01  9.9083E+00
  2.5165E+03 -1.0358E+03  1.7668E+03
CT            1267   12.011000    0.145000
 -7.4449E+00  1.6728E+00 -1.2437E+01
 -2.7971E+00 -1.5650E+00  7.4172E-01
  7.5430E+02  4.3375E+01 -5.1337E+02
OH            1268    0.000000   -0.683000
 -6.7110E+00  7.1121E-01 -1.1713E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1269    1.008000    0.418000
 -5.8707E+00  5.8828E-01 -1.2128E+01
 -5.0207E-01 -2.8498E+01  5.4027E+00
  5.9576E+02  9.1064E+00  3.1414E+03
HC            1270    1.008000    0.040000
 -7.4556E+00  2.6539E+00 -1.1963E+01
  4.1122E+00  4.2225E-01 -3.0702E+00
  9.3231E+02 -2.5880E+02  4.0545E+02
HC            1271    1.008000    0.040000
 -8.4923E+00  1.3816E+00 -1.2516E+01
 -8.7998E+00  1.4084E+01  1.6088E+01
  7.1681E+02 -1.2345E+03  2.1127E+03
HC            1272    1.008000    0.040000
 -7.0814E+00  1.9058E+00 -1.3438E+01
 -1.3973E+00 -5.7623E+00  2.5317E-01
  1.2548E+03 -2.2459E+03 -1.4580E+02
CT            1273   12.011000    0.145000
 -7.3187E+00 -1.3528E+00  1.9034E+01
 -4.8779E+00 -4.5846E-01 -3.2657E-01
 -1.3496E+02 -5.9274E+02  9.5538E+02
OH            1274    0.000000   -0.683000
 -7.4746E+00 -3.0399E-01  1.9964E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1275    1.008000    0.418000
 -7.4541E+00 -6.3050E-01 -2.0050E+01
  2.9714E+01  3.4163E+00  1.5837E+00
  3.5855E+02 -4.4875E+03 -2.7842E+03
HC            1276    1.008000    0.040000
 -7.0104E+00 -2.2676E+00  1.9540E+01
 -1.6010E+00 -6.9173E-01 -2.7116E+00
 -1.8379E+03 -7.0336E+02 -7.9590E+01
HC            1277    1.008000    0.040000
 -6.5175E+00 -1.1615E+00  1.8320E+01
  2.4486E+00  1.6227E+01  1.1699E+01
 -1.4690E+03  1.7615E+03 -4.5532E+02
HC            1278    1.008000    0.040000
 -8.3139E+00 -1.4156E+00  1.8594E+01
 -5.0832E+00 -8.4577E+00  1.1293E+00
  9.5557E+02 -2.8210E+03 -1.6818E+03
CT            1279   12.011000    0.145000
  2.3247E-01 -8.8301E+00 -2.8975E+00
 -3.4954E+00  1.9168E+00 -5.7996E-01
 -7.4692E+03  8.9110E+03 -4.0572E+02
OH            1280    0.000000   -0.683000
  5.9559E-01 -8.5818E+00 -4.2371E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1281    1.008000    0.418000
  2.9997E-01 -7.7382E+00 -4.5438E+00
  9.0156E+00  8.9455E+00  1.4686E+01
 -3.4261E+03 -1.4138E+03  1.1049E+03
HC            1282    1.008000    0.040000
 -8.2908E-01 -9.0316E+00 -3.0410E+00
  4.2828E-01  2.1728E+00 -4.2064E+01
  2.5132E+03 -6.4746E+03  1.7686E+03
HC            1283    1.008000    0.040000
 -1.9392E-04 -7.9022E+00 -2.3749E+00
 -9.9972E+00  1.8120E+01 -3.0003E+01
  4.7129E+03  1.0699E+03 -6.7699E+02
HC            1284    1.008000    0.040000
  9.5535E-01 -9.4579E+00 -2.3766E+00
 -1.0051E+01 -1.4560E+01 -1.0546E+01
 -3.5320E+03 -2.2016E+03  8.7088E+01
CT            1285   12.011000    0.145000
 -1.4555E+01  1.2637E+01  1.2675E+01
  9.4269E+00  1.6860E+00  6.7804E-01
  3.8092E+03  2.2808E+03  1.5822E+03
OH            1286    0.000000   -0.683000
 -1.4576E+01  1.2166E+01  1.4004E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1287    1.008000    0.418000
 -1.3858E+01  1.1602E+01  1.4250E+01
 -1.2602E+01 -7.9136E+00  2.1359E+01
 -1.4403E+03 -9.0574E+02 -4.0398E+02
HC            1288    1.008000    0.040000
 -1.4961E+01  1.1973E+01  1.1912E+01
  2.6848E+01 -3.1799E+01  1.8251E+01
  5.4429E+02 -7.9564E+02  2.7470E+03
HC            1289    1.008000    0.040000
 -1.3518E+01  1.2858E+01  1.2422E+01
  6.8312E+00  1.3837E+01  3.8055E-02
  1.0508E+02 -8.8980E+02 -8.6779E+02
HC            1290    1.008000    0.040000
 -1.5048E+01  1.3608E+01  1.2630E+01
 -2.3711E+01 -1.3805E+01 -3.0768E-01
 -1.2234E+03 -1.6748E+03 -1.1771E+02
CT            1291   12.011000    0.145000
  1.1550E+01  1.6941E+00  1.3033E-01
  3.9327E+00  1.5719E+00  1.1732E+00
  1.3265E+03 -9.5051E+02  1.4625E+03
OH            1292    0.000000   -0.683000
  1.2164E+01  8.5882E-01 -8.2535E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1293    1.008000    0.418000
  1.2241E+01  1.3533E+00 -1.6270E+00
 -1.7778E+01 -2.0237E+01 -1.5387E+01
 -2.0450E+03 -4.6143E+03 -2.5995E+03
HC            1294    1.008000    0.040000
  1.1544E+01  1.3016E+00  1.1472E+00
  1.9261E+01 -1.3095E+01 -3.9372E+00
 -2.0080E+02 -3.2394E+03 -1.4006E+03
HC            1295    1.008000    0.040000
  1.0523E+01  1.9302E+00 -1.4868E-01
  5.7533E+00  1.7617E+01  6.9926E+00
  7.4760E+02  1.3293E+03 -2.5393E+02
HC            1296    1.008000    0.040000
  1.2151E+01  2.5792E+00  3.3733E-01
  1.1803E+01 -5.5451E+00  9.6195E+00
 -1.0582E+03  9.8240E+02 -2.8283E+03
CT            1297   12.011000    0.145000
 -1.2256E+01  1.7677E+01 -5.2090E+00
 -4.5126E-01 -3.9444E-01 -1.8579E+00
 -2.8198E+03 -5.8412E+02 -2.3022E+03
OH            1298    0.000000   -0.683000
 -1.2327E+01  1.9058E+01 -5.4829E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1299    1.008000    0.418000
 -1.2984E+01  1.9464E+01 -4.9386E+00
 -1.8333E+01 -1.6547E+01 -8.5316E+00
 -6.1232E+02 -3.3977E+03  9.2338E+02
HC            1300    1.008000    0.040000
 -1.1349E+01  1.7074E+01 -5.1797E+00
 -5.6594E+00 -8.6302E+00 -6.2651E+00
  2.6829E+03  4.9267E+03 -1.3854E+03
HC            1301    1.008000    0.040000
 -1.2685E+01  1.7249E+01 -6.1150E+00
 -9.0824E+00  1.5756E+00  1.2050E+00
 -2.4535E+03 -1.2740E+03  1.4570E+03
HC            1302    1.008000    0.040000
 -1.2748E+01  1.7306E+01 -4.3101E+00
 -1.0352E+01 -2.9774E-01 -7.0996E+00
 -2.7869E+03  2.3393E+03 -6.4709E+02
CT            1303   12.011000    0.145000
 -1.3819E+01  1.3476E+01 -6.9041E+00
 -5.4320E-01  1.1148E-01  2.5430E+00
 -1.5210E+03 -3.1014E+02  5.0689E+03
OH            1304    0.000000   -0.683000
 -1.2791E+01  1.2546E+01 -6.6464E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1305    1.008000    0.418000
 -1.3031E+01  1.2054E+01 -5.8759E+00
 -1.0533E+01  2.1146E+01  1.1083E+01
 -9.6531E+02  7.7742E+02 -5.9706E+02
HC            1306    1.008000    0.040000
 -1.3881E+01  1.4030E+01 -7.8404E+00
  2.1704E+00 -8.3061E+00 -2.7357E+00
  2.1032E+03 -3.5282E+03 -1.8379E+03
HC            1307    1.008000    0.040000
 -1.3893E+01  1.4302E+01 -6.1970E+00
 -5.2559E+00 -1.2177E+01  1.6945E+01
  3.5421E+03 -1.2865E+03  1.7961E+03
HC            1308    1.008000    0.040000
 -1.4764E+01  1.2980E+01 -6.6857E+00
 -1.5831E+00 -1.8827E+00 -6.1207E+00
 -4.3999E+02 -8.2767E+02 -2.6830E+03
CT            1309   12.011000    0.145000
  6.1002E-01  1.2422E+00 -1.0111E+01
  3.4190E+00  1.6060E+00 -5.6390E+00
 -2.6665E+03 -2.4345E+03  3.8162E+03
OH            1310    0.000000   -0.683000
  1.6980E+00  4.6416E-01 -9.6652E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1311    1.008000    0.418000
  1.4465E+00 -3.4134E-01 -9.2399E+00
 -9.5918E+00 -6.5916E+00 -1.7145E+01
 -4.1518E+03  3.8736E+02 -2.1449E+03
HC            1312    1.008000    0.040000
  6.5056E-01  2.2277E+00 -9.6475E+00
  2.9010E+00  3.7367E+00 -1.0067E+01
 -1.8435E+02 -3.3970E+00 -1.4289E+02
HC            1313    1.008000    0.040000
 -2.8185E-01  7.5716E-01 -9.7147E+00
  1.2932E-01  9.6879E+00 -2.9437E+00
 -8.5890E+02  4.5852E+02 -4.6249E+02
HC            1314    1.008000    0.040000
  4.9252E-01  1.3689E+00 -1.1188E+01
  8.1531E+00  8.0558E+00 -5.4561E+00
  1.2593E+03 -5.5364E+02  1.6387E+02
CT            1315   12.011000    0.145000
  1.5527E+01 -2.0008E+01  5.6947E+00
 -1.1806E-01  4.7690E-01 -2.0266E+00
  6.2772E+02 -2.8736E+03 -6.1688E+03
OH            1316    0.000000   -0.683000
  1.4154E+01 -2.0328E+01  5.7015E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1317    1.008000    0.418000
  1.3809E+01  2.0442E+01  4.8315E+00
  9.3958E+00 -1.8818E+01 -1.4282E+00
  3.6338E+03  1.3224E+03 -1.1382E+03
HC            1318    1.008000    0.040000
  1.5839E+01 -1.9236E+01  6.3984E+00
  6.6935E+00  2.2393E+01 -2.7420E+01
  5.9892E+01 -3.0576E+02 -1.9365E+03
HC            1319    1.008000    0.040000
  1.5803E+01 -1.9663E+01  4.6980E+00
  2.6115E+00  3.1991E+01  8.5137E+00
 -4.6009E+02  3.1663E+03  1.1760E+03
HC            1320    1.008000    0.040000
  1.6146E+01  1.9998E+01  5.7696E+00
 -1.4725E+01 -9.8698E+00 -6.2996E-01
 -1.2910E+03 -6.8622E+02  2.1796E+03
CT            1321   12.011000    0.145000
 -6.4758E+00  6.9291E+00  1.4005E+01
 -8.8938E-01 -2.0742E+00 -1.8287E+00
 -1.8367E+02  3.5608E+03 -1.6941E+02
OH            1322    0.000000   -0.683000
 -7.7424E+00  6.9301E+00  1.4625E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1323    1.008000    0.418000
 -7.8229E+00  6.1064E+00  1.5081E+01
  2.5668E+00 -1.8891E+01 -3.0781E+01
  1.6486E+03  1.1720E+03 -5.2334E+02
HC            1324    1.008000    0.040000
 -6.4064E+00  7.8377E+00  1.3407E+01
 -1.5588E+01  1.8577E+01  2.5514E+01
 -9.3007E+02 -1.7657E+03 -5.9490E+02
HC            1325    1.008000    0.040000
 -6.3772E+00  5.9973E+00  1.3449E+01
  7.2185E-01 -5.3705E+00  3.8899E+00
  2.2295E+03  4.0323E+02  2.7481E+02
HC            1326    1.008000    0.040000
 -5.6833E+00  7.1404E+00  1.4723E+01
  8.5454E+00  2.3049E+00 -1.3201E+01
  4.3984E+02 -3.1032E+03  5.5165E+01
CT            1327   12.011000    0.145000
  1.9207E+01 -1.2948E+01 -2.0297E+01
 -6.6139E+00  4.4557E+00  5.8878E+00
 -1.4163E+03 -7.3410E+02 -3.8257E+02
OH            1328    0.000000   -0.683000
  1.8880E+01 -1.4199E+01 -1.9734E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1329    1.008000    0.418000
  1.8395E+01 -1.4541E+01  2.0431E+01
  2.7063E+01 -1.9781E+01 -1.0346E+01
  2.5804E+02 -2.5247E+03  2.5620E+03
HC            1330    1.008000    0.040000
  1.8343E+01 -1.2313E+01  2.0403E+01
 -1.1727E+00  1.4246E+01  1.2644E+01
 -1.2400E+03 -1.7184E+03  7.9306E+02
HC            1331    1.008000    0.040000
  1.9662E+01 -1.3083E+01  1.9621E+01
  1.4681E+01 -1.4428E+00  1.5976E+01
  1.0415E+03 -1.0540E+03  1.0852E+03
HC            1332    1.008000    0.040000
  1.9851E+01 -1.2256E+01 -1.9755E+01
  2.0587E+00 -5.4442E+00  8.5392E+00
  1.6340E+03 -3.0562E+03  1.6775E+03
CT            1333   12.011000    0.145000
  6.5673E+00 -1.6639E+01  6.4666E+00
  2.9393E+00  5.0921E-02 -4.0294E-02
  1.7255E+02 -1.0472E+02 -2.9142E+01
OH            1334    0.000000   -0.683000
  6.5954E+00 -1.7790E+01  7.2804E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1335    1.008000    0.418000
  7.2512E+00 -1.8358E+01  6.9058E+00
  7.9401E-01  4.5327E+00 -5.6244E+00
  1.1156E+03  8.2245E+02  8.6489E+02
HC            1336    1.008000    0.040000
  5.8574E+00 -1.5878E+01  6.7908E+00
  6.7935E+00 -9.4118E+00  3.4632E+01
 -7.5087E+02 -2.6394E+03  1.1392E+03
HC            1337    1.008000    0.040000
  6.2922E+00 -1.7036E+01  5.4893E+00
 -1.1468E+01 -1.7298E+01  1.0427E+01
  1.0840E+03  1.7878E+03 -1.8806E+02
HC            1338    1.008000    0.040000
  7.5252E+00 -1.6119E+01  6.4855E+00
  1.1878E+01 -1.5860E+01  2.3531E+00
  7.9419E+02 -1.8280E+03 -9.1918E+02
CT            1339   12.011000    0.145000
 -1.9620E+01  4.6302E+00 -3.0016E-01
  2.1654E+00  1.9295E+00 -2.1809E+00
 -5.1359E+03  1.2210E+03 -8.5595E+02
OH            1340    0.000000   -0.683000
 -1.9573E+01  5.6591E+00  6.6281E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1341    1.008000    0.418000
 -1.8727E+01  5.5452E+00  1.0688E+00
  4.3926E+00 -4.7970E+00 -1.0138E+01
 -4.5118E+02  7.1779E+01  5.2271E+02
HC            1342    1.008000    0.040000
 -1.8954E+01  4.6475E+00 -1.1629E+00
 -6.1694E+00 -1.8176E+01 -9.6304E+00
  2.8734E+03 -1.3285E+03  3.2317E+03
HC            1343    1.008000    0.040000
  2.0305E+01  4.6798E+00 -7.8492E-01
 -1.0716E+01 -4.2313E+00  2.1518E+01
 -7.9776E+02 -7.2325E+02  1.7521E+03
HC            1344    1.008000    0.040000
 -1.9611E+01  3.7572E+00  3.5238E-01
  7.8895E+00 -2.7044E+00 -8.3193E+00
  1.7359E+03 -2.7990E+03 -3.9078E+03
CT            1345   12.011000    0.145000
  1.9325E+01  1.3733E+01 -1.0070E+01
  2.6680E+00  5.1201E+00 -2.6081E+00
  2.0596E+03  2.6921E+01 -4.8731E+03
OH            1346    0.000000   -0.683000
  1.8094E+01  1.4059E+01 -1.0674E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1347    1.008000    0.418000
  1.7433E+01  1.3389E+01 -1.0592E+01
 -3.8835E+00  1.8267E+00 -1.3754E+01
  1.5931E+03 -8.6108E+02  1.6275E+03
HC            1348    1.008000    0.040000
  1.9709E+01  1.2810E+01 -1.0506E+01
 -3.0421E+01 -1.0782E+01 -1.1514E+00
 -1.9912E+03 -7.9742E+02  1.7474E+03
HC            1349    1.008000    0.040000
  1.9320E+01  1.3740E+01 -8.9805E+00
 -6.0877E-01  2.3400E+01 -2.4234E+00
 -3.7391E+02 -1.0852E+02 -7.3183E+02
HC            1350    1.008000    0.040000
  2.0063E+01  1.4463E+01 -1.0401E+01
  1.5558E+01  3.3294E+00  2.0128E+01
 -2.1415E+02  1.1127E+03  2.5923E+03
CT            1351   12.011000    0.145000
  4.0696E+00  6.7137E+00  8.1091E+00
 -1.0888E+00  3.5924E+00 -5.0508E-01
 -2.5548E+03  7.2906E+03 -1.6348E+02
OH            1352    0.000000   -0.683000
  5.2704E+00  7.1568E+00  8.7005E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1353    1.008000    0.418000
  5.4978E+00  6.3888E+00  9.2019E+00
  2.2639E+01  1.6258E+01  1.6748E+01
  8.0020E+02  3.6200E+03  4.0983E+03
HC            1354    1.008000    0.040000
  3.4958E+00  6.1128E+00  8.8147E+00
  2.7052E+01 -7.6022E+00  1.4463E+01
  1.9646E+03 -1.9400E+03 -1.7204E+03
HC            1355    1.008000    0.040000
  4.1310E+00  6.3338E+00  7.0893E+00
 -2.3994E+01 -2.8095E-01 -9.7172E-01
  5.7060E+02 -2.2929E+03  1.7022E+03
HC            1356    1.008000    0.040000
  3.3680E+00  7.5375E+00  7.9775E+00
 -1.3338E+00  4.6576E+00  7.0303E+00
  1.9066E+03  2.3046E+03 -1.7266E+02
CT            1357   12.011000    0.145000
  1.4276E+01  5.4841E+00  8.0987E+00
 -1.2218E+00  1.5190E+00  1.1535E+00
  4.3244E+02 -3.9624E+03  1.4265E+03
OH            1358    0.000000   -0.683000
  1.3120E+01  5.0840E+00  7.3970E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1359    1.008000    0.418000
  1.2696E+01  4.2856E+00  7.6726E+00
 -8.0761E-01 -8.4141E+00 -2.3374E+01
  2.0932E+03  8.3595E+02  2.3736E+03
HC            1360    1.008000    0.040000
  1.3955E+01  6.0967E+00  8.9411E+00
  1.1843E+01 -1.0825E+01  1.5747E+01
  2.6066E+03  9.1489E+02 -4.1971E+02
HC            1361    1.008000    0.040000
  1.4970E+01  5.9528E+00  7.4008E+00
  4.9447E+00  1.9606E+01  1.8479E+01
 -3.5528E+02  2.2780E+03  2.0285E+03
HC            1362    1.008000    0.040000
  1.4769E+01  4.6280E+00  8.5593E+00
 -3.4890E+00  1.6298E+01  3.3854E+01
 -4.0311E+02  9.0496E+02  2.6145E+02
CT            1363   12.011000    0.145000
 -2.9812E+00  1.0228E+01  1.3119E+01
 -1.8401E+00  9.5871E-01  5.6560E+00
 -1.6588E+03 -1.0516E+03 -1.3992E+03
OH            1364    0.000000   -0.683000
 -2.6786E+00  8.8879E+00  1.3438E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1365    1.008000    0.418000
 -3.0480E+00  8.7782E+00  1.4301E+01
 -2.6707E+01 -2.7264E+01 -1.3016E+01
  1.7791E+03 -1.7163E+03 -1.2985E+03
HC            1366    1.008000    0.040000
 -2.2692E+00  1.0664E+01  1.2419E+01
 -1.2258E+01  2.0940E+01  6.7884E+00
  6.8010E+02  2.2920E+02  1.6576E+03
HC            1367    1.008000    0.040000
 -3.0868E+00  1.0916E+01  1.3958E+01
  8.8759E-01  1.3704E+01 -4.1374E+00
  1.7191E+03 -6.1755E+02  1.9951E+02
HC            1368    1.008000    0.040000
 -3.9512E+00  1.0257E+01  1.2623E+01
 -5.9210E+00 -9.5085E+00  1.2653E+01
 -8.4517E+01 -4.5108E+02  7.0959E+01
CT            1369   12.011000    0.145000
 -1.1533E+01  1.7714E+01 -1.1661E+00
 -4.2954E-01 -1.7121E+00  3.8522E+00
  8.7542E+02 -3.1341E+03  6.1011E+03
OH            1370    0.000000   -0.683000
 -1.1785E+01  1.6458E+01 -1.7567E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1371    1.008000    0.418000
 -1.1123E+01  1.6251E+01 -2.3988E+00
 -1.5730E+01 -1.5656E+01 -1.2170E+01
  2.1618E+02  3.8170E+03  4.7367E+02
HC            1372    1.008000    0.040000
 -1.2401E+01  1.7659E+01 -5.1002E-01
 -1.8452E+01 -4.3178E+00 -1.8934E+01
 -1.7509E+02  5.4941E+03 -6.5443E+02
HC            1373    1.008000    0.040000
 -1.1518E+01  1.8557E+01 -1.8566E+00
 -2.2955E+01 -5.2985E-01  4.0676E+00
 -1.2931E+03 -3.5995E+02  9.3418E+02
HC            1374    1.008000    0.040000
 -1.0648E+01  1.7513E+01 -5.6218E-01
 -2.8269E+00 -4.2088E+01 -3.2737E+00
 -9.7400E+01  2.2279E+03 -1.8156E+03
CT            1375   12.011000    0.145000
 -6.6875E-02  3.2076E-01  1.5360E+01
 -4.2464E+00  3.9639E+00  1.6504E+00
 -3.4772E+03  2.8335E+03  3.2244E+02
OH            1376    0.000000   -0.683000
 -1.0099E+00 -7.2550E-01  1.5425E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1377    1.008000    0.418000
 -1.8628E+00 -3.3260E-01  1.5531E+01
  6.2750E+00  1.8978E+01 -1.4170E+01
  1.6038E+03  3.4995E+03 -2.1151E+03
HC            1378    1.008000    0.040000
  9.6610E-01  4.7698E-03  1.5214E+01
 -7.0232E+00  2.8510E+00 -1.8477E+01
 -9.4515E+02 -1.8268E+01 -2.5917E+03
HC            1379    1.008000    0.040000
 -7.8269E-02  9.0290E-01  1.6282E+01
  6.7374E-01  1.2365E+01 -3.4648E+00
 -8.0168E+02  6.7873E+02 -3.7726E+02
HC            1380    1.008000    0.040000
 -3.9707E-01  9.6513E-01  1.4545E+01
  1.5080E+01  1.1653E+01 -6.3824E-01
  2.4896E+03  1.2174E+03 -6.4470E+01
CT            1381   12.011000    0.145000
 -6.1446E-01  1.1011E+01 -1.6883E+00
 -5.0028E-01  1.6375E+00  2.6363E+00
 -2.6621E+02  5.3755E+03 -5.9313E+03
OH            1382    0.000000   -0.683000
 -2.0030E+00  1.0812E+01 -1.8322E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1383    1.008000    0.418000
 -2.2518E+00  1.0677E+01 -2.7338E+00
  1.4910E+01 -2.8551E+01 -9.9444E-01
  2.1559E+03  9.0083E+02  4.1653E+02
HC            1384    1.008000    0.040000
  1.7033E-02  1.0198E+01 -2.0471E+00
 -4.1909E+00  5.7064E+00 -1.3925E+01
  2.0145E+03  4.1727E+02  5.4117E+03
HC            1385    1.008000    0.040000
 -3.8824E-01  1.1507E+01 -7.4457E-01
  1.6557E+01 -1.9870E+01  1.0727E+01
  2.6043E+03 -2.2600E+03 -1.5767E+02
HC            1386    1.008000    0.040000
 -4.9710E-01  1.1713E+01 -2.5136E+00
 -1.5097E+01  1.2639E+01  9.4590E+00
  9.3230E+02  2.3292E+03  1.6194E+03
CT            1387   12.011000    0.145000
  1.3868E+01  1.6442E+01 -1.4665E+01
  3.2691E+00  2.7123E+00  6.3952E+00
  2.4444E+02 -6.9639E+02  5.8327E+03
OH            1388    0.000000   -0.683000
  1.2725E+01  1.7232E+01 -1.4425E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1389    1.008000    0.418000
  1.2812E+01  1.7583E+01 -1.3552E+01
 -2.7620E+01 -5.3028E+00  5.8253E+00
 -2.3693E+02  1.1432E+03 -1.4309E+03
HC            1390    1.008000    0.040000
  1.4613E+01  1.7238E+01 -1.4654E+01
  1.0590E+01 -2.6590E+00 -2.1870E+01
  3.0687E+03 -3.1753E+03 -4.4227E+03
HC            1391    1.008000    0.040000
  1.3603E+01  1.5860E+01 -1.5548E+01
 -2.0498E+00  6.1906E+00  5.6528E+00
  4.0675E+03  1.2190E+03 -1.3998E+03
HC            1392    1.008000    0.040000
  1.3916E+01  1.5785E+01 -1.3796E+01
  2.5244E+00 -2.4521E+01 -1.2897E+01
  1.7667E+03 -1.8030E+03 -1.8286E+03
CT            1393   12.011000    0.145000
  4.4035E+00 -1.8054E+01 -1.2912E+01
  4.4127E-01 -1.2724E+00 -2.6794E+00
  2.5590E+02 -8.7907E+02 -3.8767E+03
OH            1394    0.000000   -0.683000
  5.6828E+00 -1.7465E+01 -1.2978E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1395    1.008000    0.418000
  5.6823E+00 -1.6619E+01 -1.2556E+01
  1.5967E+01  3.6492E+00 -6.5602E+00
 -1.3629E+03  5.6346E+01 -1.0128E+03
HC            1396    1.008000    0.040000
  4.5952E+00 -1.8832E+01 -1.3651E+01
  1.0357E+01  6.2848E+00 -8.3183E+00
 -3.9958E+03 -1.4643E+03  7.0727E+02
HC            1397    1.008000    0.040000
  3.6459E+00 -1.7333E+01 -1.3219E+01
  3.7922E+00  1.3018E+00 -4.9804E+00
 -6.5296E+02 -7.9572E+02 -2.1803E+02
HC            1398    1.008000    0.040000
  4.2547E+00 -1.8461E+01 -1.1912E+01
  3.0876E+00 -1.7390E+01 -8.5465E+00
 -3.1626E+02 -1.7751E+03 -1.2517E+03
CT            1399   12.011000    0.145000
 -1.7812E+01  4.8654E-01  8.2122E+00
  2.5178E+00  1.0952E+00 -3.2163E-01
  6.4410E+03  2.6898E+03 -2.4534E+03
OH            1400    0.000000   -0.683000
 -1.7246E+01 -8.0326E-01  8.2756E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1401    1.008000    0.418000
 -1.6682E+01 -8.5799E-01  7.5194E+00
 -1.5567E+01  6.9986E+00 -1.2718E+01
 -7.3214E+02  1.4317E+02 -1.8311E+01
HC            1402    1.008000    0.040000
 -1.8551E+01  5.8085E-01  9.0076E+00
  7.1100E+00 -3.7217E+00  4.6030E+00
 -7.0153E+02  2.2896E+03 -1.8316E+03
HC            1403    1.008000    0.040000
 -1.8087E+01  7.0269E-01  7.1799E+00
 -1.0361E+01 -6.0228E+00  1.4114E+00
 -4.0340E+03 -6.2550E+02  8.3565E+02
HC            1404    1.008000    0.040000
 -1.6960E+01  1.1522E+00  8.3535E+00
 -1.1750E+01  1.7956E+01  1.0517E+01
 -1.4914E+03  1.7564E+03  2.7561E+03
CT            1405   12.011000    0.145000
 -1.7369E+01 -1.4855E+01  1.7971E+01
  2.4888E+00  1.7913E+00 -1.6813E+00
 -2.3356E+03 -2.0702E+03 -3.9225E+03
OH            1406    0.000000   -0.683000
 -1.6526E+01 -1.5984E+01  1.8023E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1407    1.008000    0.418000
 -1.6582E+01 -1.6229E+01  1.7112E+01
  2.3719E+01  1.4089E+01 -6.1192E+00
  9.3604E+02 -3.3830E+03  1.9350E+03
HC            1408    1.008000    0.040000
 -1.8331E+01 -1.5236E+01  1.8315E+01
 -1.3306E+00 -1.3679E+00 -1.5270E+01
 -2.9676E+02  3.7462E+03  2.4215E+03
HC            1409    1.008000    0.040000
 -1.7537E+01 -1.4661E+01  1.6912E+01
  1.4370E+01 -2.5443E+00 -4.5211E+00
  2.0283E+02  1.0104E+03 -7.4307E+00
HC            1410    1.008000    0.040000
 -1.6882E+01 -1.3970E+01  1.8381E+01
  9.5672E+00 -6.7449E+00  8.9050E+00
 -1.8110E+03 -2.3388E+02  1.1689E+03
CT            1411   12.011000    0.145000
  1.3169E+01  6.6754E+00 -4.7319E+00
  5.2237E-01 -3.0227E+00  4.3840E-01
 -2.0035E+03 -3.5516E+03 -5.0243E+03
OH            1412    0.000000   -0.683000
  1.4431E+01  6.8075E+00 -5.3468E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1413    1.008000    0.418000
  1.4976E+01  6.1104E+00 -5.0147E+00
  9.6234E+00  1.3612E+01  1.4231E+01
  5.9093E+01 -1.5472E+02 -2.3290E+03
HC            1414    1.008000    0.040000
  1.3207E+01  6.6065E+00 -3.6448E+00
  9.4226E+00 -1.9052E+00  2.6713E-01
 -5.6839E+02  1.9252E+03 -3.5441E+02
HC            1415    1.008000    0.040000
  1.2748E+01  5.7400E+00 -5.1005E+00
  9.5208E+00 -7.0888E+00  2.1777E-01
  8.9236E+02 -1.5803E+03  1.7745E+03
HC            1416    1.008000    0.040000
  1.2409E+01  7.3423E+00 -5.1393E+00
 -1.3927E+01 -1.4253E+00  2.7664E+01
  1.0954E+03  2.3286E+03  3.1615E+03
CT            1417   12.011000    0.145000
  1.5043E+01 -6.2471E+00  4.8859E-02
  6.6250E+00  2.8707E+00 -1.0472E+00
 -3.8103E+02  3.3243E+03  5.0690E+03
OH            1418    0.000000   -0.683000
  1.5599E+01 -7.2475E+00  8.7261E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1419    1.008000    0.418000
  1.5229E+01 -7.9926E+00  4.2414E-01
 -9.0441E+00 -1.7377E+00  9.9355E+00
  2.2455E+03 -2.1954E+03  2.2236E+03
HC            1420    1.008000    0.040000
  1.5440E+01 -5.9171E+00 -9.1143E-01
  5.4217E+00  8.8998E+00  4.8657E-01
  3.3287E+03 -3.2547E+03  7.9245E+02
HC            1421    1.008000    0.040000
  1.5048E+01 -5.3480E+00  6.6503E-01
 -1.6566E+01  2.4326E+00  6.3445E-01
 -1.1239E+03  4.4429E+02 -5.4634E+02
HC            1422    1.008000    0.040000
  1.4012E+01 -6.4827E+00 -2.1372E-01
  1.1894E+01 -1.3319E+01 -8.5343E+00
  7.4808E+01 -3.7708E+02  1.9462E+03
CT            1423   12.011000    0.145000
  1.0321E+01  9.4742E+00 -1.9165E+01
 -6.7410E-01 -1.5581E+00 -2.5456E-01
  1.8546E+03 -1.6596E+03  4.6232E+03
OH            1424    0.000000   -0.683000
  1.1518E+01  9.0598E+00 -1.9785E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1425    1.008000    0.418000
  1.1159E+01  8.5505E+00  2.0404E+01
  1.4978E+01 -6.3533E+00 -3.3989E+00
  4.4369E+03 -1.0984E+03 -1.4385E+03
HC            1426    1.008000    0.040000
  9.4245E+00  9.1933E+00 -1.9717E+01
  6.2906E+00  1.0304E+01 -1.8546E+01
  1.0406E+03  1.6214E+03 -1.3957E+03
HC            1427    1.008000    0.040000
  1.0271E+01  1.0502E+01 -1.8805E+01
 -8.4713E+00 -2.4809E+00  1.4725E+00
  6.6025E+02  7.6699E+02 -2.4729E+03
HC            1428    1.008000    0.040000
  1.0204E+01  8.9466E+00 -1.8218E+01
 -4.5861E+00 -1.1823E+01 -6.2950E+00
  1.0864E+03 -1.4432E+03 -3.3767E+02
CT            1429   12.011000    0.145000
  1.9470E+01 -1.0441E+01  3.3298E+00
  1.4284E+00  5.1617E+00 -2.5661E+00
  2.7151E+02 -8.9739E+02 -2.2053E+03
OH            1430    0.000000   -0.683000
 -2.0064E+01 -1.0770E+01  3.4424E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1431    1.008000    0.418000
 -1.9884E+01 -1.1212E+01  4.2582E+00
  5.0860E+00  1.6563E+01  8.2965E+00
 -2.3007E+03 -3.5698E+03 -2.3822E+03
HC            1432    1.008000    0.040000
  1.8966E+01 -9.9393E+00  4.1559E+00
  3.2957E+00 -1.6096E+01  1.2313E+01
  3.9001E+03 -7.7544E+02  1.9934E+03
HC            1433    1.008000    0.040000
  1.8824E+01 -1.1309E+01  3.1938E+00
  2.0994E+01 -1.5674E+01  2.5556E+01
  3.2629E+03 -1.3147E+03  9.0839E+02
HC            1434    1.008000    0.040000
  1.9190E+01 -9.8508E+00  2.4574E+00
 -1.1751E+01 -2.4514E+01 -1.9991E+01
  3.3649E+03 -6.5429E+02  9.2592E+01
CT            1435   12.011000    0.145000
 -2.3820E-01 -1.8268E+00 -5.4074E+00
 -1.2704E+00  2.7711E+00 -4.9879E+00
  6.7924E+03  2.5718E+03 -5.3250E+03
OH            1436    0.000000   -0.683000
 -2.5265E-01 -3.0637E+00 -6.0841E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1437    1.008000    0.418000
  1.3630E-02 -3.7081E+00 -5.4462E+00
  6.1980E-01 -8.5214E+00 -8.6336E+00
 -3.3282E+03 -7.6627E+02  3.5453E+02
HC            1438    1.008000    0.040000
 -2.3625E-01 -1.1408E+00 -6.2545E+00
 -1.9899E+00  1.8227E+01  7.0717E+00
 -3.4314E+03  3.8789E+03  2.6042E+03
HC            1439    1.008000    0.040000
  7.9516E-01 -1.7886E+00 -5.0627E+00
 -6.6379E+00  2.7722E+00  1.2026E+01
 -7.3583E+02  2.6388E+03  2.9032E+03
HC            1440    1.008000    0.040000
 -9.0790E-01 -1.6086E+00 -4.5756E+00
  1.0244E+01  1.6286E+01  1.1624E+00
 -3.9197E+02 -4.4910E+02 -1.6121E+03
CT            1441   12.011000    0.145000
 -2.4769E+00  1.4440E-01 -1.2349E+01
  1.1363E+00  4.8576E+00 -3.5433E+00
 -9.5018E+02 -3.3318E+03  3.5124E+03
OH            1442    0.000000   -0.683000
 -3.7548E+00  6.5708E-01 -1.2045E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1443    1.008000    0.418000
 -3.6002E+00  1.4444E+00 -1.1546E+01
  4.8752E+00  2.1395E+00 -4.7811E+00
 -7.7256E+02 -2.4092E+03  3.6471E+03
HC            1444    1.008000    0.040000
 -2.1996E+00 -6.7051E-01 -1.1680E+01
  3.2225E+01 -1.5143E+01 -3.7079E+01
  9.2517E+02  3.5626E+03  4.5434E+02
HC            1445    1.008000    0.040000
 -1.8083E+00  1.0025E+00 -1.2280E+01
  9.4539E+00 -1.6404E+00 -1.6612E+00
  2.2739E+03 -2.0714E+03 -4.3635E+02
HC            1446    1.008000    0.040000
 -2.3530E+00 -4.6966E-01 -1.3241E+01
 -1.6147E+01 -1.3037E+01  5.5884E+00
 -2.2198E+03  2.5764E+03 -1.0253E+03
CT            1447   12.011000    0.145000
 -1.1233E+01 -1.4550E+01  8.3442E+00
  6.7926E+00  6.7343E+00 -2.8913E-01
 -2.4411E+03  1.2493E+03 -1.0269E+03
OH            1448    0.000000   -0.683000
 -1.1175E+01 -1.4683E+01  6.9417E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1449    1.008000    0.418000
 -1.1717E+01 -1.4013E+01  6.5542E+00
 -1.3467E+01 -8.1465E+00  4.0695E+00
 -1.2592E+03 -1.0831E+03  3.1087E+02
HC            1450    1.008000    0.040000
 -1.0743E+01 -1.3618E+01  8.6229E+00
  1.8915E+01  7.9415E+00 -2.3245E+01
 -2.1622E+02 -6.3831E+02 -5.1641E+01
HC            1451    1.008000    0.040000
 -1.0910E+01 -1.5361E+01  8.9976E+00
 -1.2789E+00  5.0742E+00  1.7534E+00
  3.1295E+03 -7.9690E+02 -3.2255E+03
HC            1452    1.008000    0.040000
 -1.2273E+01 -1.4563E+01  8.6717E+00
 -2.3586E-02  1.7359E+00 -2.0637E+01
 -4.9761E+02  2.1487E+03 -2.0831E+03
CT            1453   12.011000    0.145000
 -1.0140E+01  1.2845E+01 -1.3553E+01
  1.4734E+00  2.6900E+00 -2.4596E+00
  3.7228E+03 -2.9449E+03  2.4116E+03
OH            1454    0.000000   -0.683000
 -1.0045E+01  1.3763E+01 -1.2486E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1455    1.008000    0.418000
 -1.0915E+01  1.3691E+01 -1.2126E+01
  3.7102E+00  2.3085E+01  1.5727E+01
  9.7230E+02  3.0142E+03  1.7737E+03
HC            1456    1.008000    0.040000
 -9.1440E+00  1.2995E+01 -1.3970E+01
  1.4422E+00 -6.6499E+00 -6.1391E+00
 -4.0432E+02 -4.2773E+03 -3.0625E+03
HC            1457    1.008000    0.040000
 -1.0934E+01  1.2780E+01 -1.4297E+01
  7.0131E+00 -5.6042E+00 -7.8182E+00
  2.6219E+02  4.4384E+03  2.9092E+02
HC            1458    1.008000    0.040000
 -1.0300E+01  1.1894E+01 -1.3046E+01
  1.6694E+01 -4.6899E+00 -1.0791E+01
  3.6843E+03 -1.1817E+03 -7.2258E+02
CT            1459   12.011000    0.145000
 -1.6011E+01  9.0664E+00  3.3167E+00
 -5.0976E+00 -1.7914E+00 -3.1109E+00
 -3.4700E+03  8.6867E+02 -4.2741E+03
OH            1460    0.000000   -0.683000
 -1.5202E+01  8.3302E+00  2.4271E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1461    1.008000    0.418000
 -1.5197E+01  8.8488E+00  1.6371E+00
 -2.0987E+01  3.1457E-02 -6.6113E-01
 -1.4612E+03 -2.0657E+03 -9.4210E+02
HC            1462    1.008000    0.040000
 -1.5769E+01  8.4615E+00  4.1904E+00
 -1.5858E+01 -1.0761E+01 -6.1020E+00
 -4.0083E+03  4.0957E+03  3.0959E+03
HC            1463    1.008000    0.040000
 -1.7025E+01  8.9934E+00  2.9228E+00
 -6.8441E+00 -2.2544E+01  4.0011E+00
 -1.1777E+03 -3.3799E+03  2.9391E+03
HC            1464    1.008000    0.040000
 -1.5846E+01  1.0143E+01  3.2764E+00
  1.0847E+01 -3.6820E+00  4.1802E+00
  4.3479E+03 -4.8985E+02  3.1448E+03
CT            1465   12.011000    0.145000
 -2.0462E+00 -1.5493E+01  1.9747E+01
  1.8532E+00 -9.4019E-01 -2.0514E+00
  7.9309E+02  1.9773E+03  2.1940E+03
OH            1466    0.000000   -0.683000
 -2.3904E+00 -1.4392E+01  1.8935E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1467    1.008000    0.418000
 -1.6477E+00 -1.4203E+01  1.8383E+01
  1.3189E+01 -5.2657E+00  1.5137E+01
  1.4721E+03 -3.8740E+03  1.0951E+03
HC            1468    1.008000    0.040000
 -2.8090E+00 -1.5913E+01  2.0402E+01
 -1.4807E+00 -1.5203E+00 -6.2576E+00
 -2.1794E+03  1.1946E+03 -1.7528E+03
HC            1469    1.008000    0.040000
 -1.3655E+00 -1.5028E+01 -2.0440E+01
  9.5441E+00 -5.0016E+00 -6.6105E+00
  2.6247E+03 -2.2489E+03 -6.7091E+02
HC            1470    1.008000    0.040000
 -1.5803E+00 -1.6324E+01  1.9217E+01
  1.1876E+01  6.3974E+00 -5.0616E+00
  1.0694E+03  1.1519E+03 -3.0396E+02
CT            1471   12.011000    0.145000
 -1.5388E+01  1.6804E+01 -1.7978E+01
  6.4503E+00 -4.7418E+00 -4.1304E+00
 -1.5828E+03  3.0058E+02 -6.3342E+02
OH            1472    0.000000   -0.683000
 -1.5423E+01  1.7712E+01 -1.9056E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1473    1.008000    0.418000
 -1.5560E+01  1.7231E+01 -1.9858E+01
  1.2543E+01 -7.1537E-01 -1.9153E+00
 -1.8669E+03 -9.4329E+02  1.2277E+03
HC            1474    1.008000    0.040000
 -1.4681E+01  1.5991E+01 -1.8144E+01
 -9.3653E+00 -2.2008E+01  8.8621E+00
  7.2821E+01  6.6782E+02  1.8390E+03
HC            1475    1.008000    0.040000
 -1.6386E+01  1.6409E+01 -1.7788E+01
  8.4290E+00  6.3169E+00  4.0215E+01
  1.9460E+03  1.3705E+02  1.3685E+03
HC            1476    1.008000    0.040000
 -1.5122E+01  1.7518E+01 -1.7198E+01
  1.5645E+01 -1.0444E+01 -1.8934E+00
  6.0385E+02 -3.4168E+03  2.8022E+03
CT            1477   12.011000    0.145000
 -1.6838E+01  1.2435E+01  8.6740E-01
 -2.4204E+00  2.2800E+00 -1.4040E+00
  3.1613E+03  2.6879E+03 -2.9009E+03
OH            1478    0.000000   -0.683000
 -1.6593E+01  1.3339E+01  1.9211E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1479    1.008000    0.418000
 -1.7164E+01  1.3116E+01  2.6399E+00
  1.1483E+01  8.0938E+00  1.2122E+01
  4.0785E+02 -1.1003E+03 -5.6638E+02
HC            1480    1.008000    0.040000
 -1.7723E+01  1.2705E+01  2.9037E-01
 -1.7169E+00 -4.4441E+00 -5.7386E+00
 -2.0560E+03 -2.4195E+03  2.2157E+03
HC            1481    1.008000    0.040000
 -1.6785E+01  1.1373E+01  1.1074E+00
 -1.9260E+01 -6.6764E+00 -3.1879E+01
 -2.2921E+03  1.3055E+03  3.1654E+01
HC            1482    1.008000    0.040000
 -1.6106E+01  1.2590E+01  7.5322E-02
  3.3258E+00  1.3402E+01  5.8326E+00
  1.7894E+03  5.1712E+01  1.3181E+03
CT            1483   12.011000    0.145000
  1.0955E+01  2.1112E+00  7.5670E+00
  2.6058E+00 -6.2303E+00  1.8298E+00
  2.6511E+03 -4.8459E+03  1.1603E+03
OH            1484    0.000000   -0.683000
  1.2004E+01  2.7587E+00  8.2521E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1485    1.008000    0.418000
  1.2079E+01  2.2913E+00  9.0700E+00
  2.2415E+00 -6.9760E+00 -4.1050E+00
 -7.2731E+02  1.1287E+03  5.6208E+02
HC            1486    1.008000    0.040000
  9.9389E+00  2.2614E+00  7.9312E+00
 -4.9133E+00  1.6458E+01 -2.4973E+01
  1.2277E+03  8.2613E+02 -7.2567E+02
HC            1487    1.008000    0.040000
  1.1373E+01  1.1424E+00  7.8411E+00
  2.3541E+01  4.8341E+00  1.1420E+01
 -3.3913E+03 -1.6055E+03 -2.9255E+03
HC            1488    1.008000    0.040000
  1.0997E+01  2.2380E+00  6.4852E+00
 -1.3499E+01 -2.5988E+01 -1.7136E+00
 -1.1087E+03  2.9561E+02  7.3107E+02
CT            1489   12.011000    0.145000
 -3.2281E-01 -1.5806E+01  8.4829E+00
 -2.1203E+00  2.8665E+00 -3.0741E+00
  1.0459E+03 -5.7363E+02  1.5863E+03
OH            1490    0.000000   -0.683000
  9.3715E-01 -1.5418E+01  7.9827E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1491    1.008000    0.418000
  1.4908E+00 -1.6167E+01  8.1404E+00
  1.3044E+01  1.4589E+01  3.2761E+01
 -1.7052E+03  7.5057E+02 -4.9866E+02
HC            1492    1.008000    0.040000
 -5.0281E-01 -1.6767E+01  8.0018E+00
  2.2191E+01  1.6616E+00 -1.1129E+01
 -1.9747E+03  1.0435E+03  5.8158E+02
HC            1493    1.008000    0.040000
 -1.1251E+00 -1.5071E+01  8.4164E+00
 -7.2783E+00 -7.9295E-01  1.3816E+01
  2.6563E+02 -5.9661E+02 -1.4809E+03
HC            1494    1.008000    0.040000
 -1.8687E-01 -1.5953E+01  9.5542E+00
 -3.5358E+00  2.3706E+00 -2.9609E+00
 -3.1935E+02 -9.9623E+02  5.3656E+01
CT            1495   12.011000    0.145000
 -7.0238E+00  2.1212E+00 -5.0312E+00
 -5.7368E+00 -3.6693E+00  9.7771E-02
  3.5049E+03  2.3376E+03 -1.7021E+03
OH            1496    0.000000   -0.683000
 -6.3054E+00  9.9841E-01 -5.4909E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1497    1.008000    0.418000
 -6.5627E+00  3.3269E-01 -4.8716E+00
  3.5792E+00 -8.9749E+00 -7.9070E+00
  1.4631E+03 -2.6879E+03 -2.2753E+03
HC            1498    1.008000    0.040000
 -6.8706E+00  2.7601E+00 -5.9009E+00
  3.5738E+00  1.6721E+00  5.4955E+00
 -2.4449E+03  2.5349E+03  1.3180E+03
HC            1499    1.008000    0.040000
 -6.5124E+00  2.5214E+00 -4.1557E+00
 -1.3566E+01 -2.0573E+01  1.2984E+01
  7.1624E+02 -5.6450E+02 -6.1893E+02
HC            1500    1.008000    0.040000
 -8.0532E+00  2.0428E+00 -4.6814E+00
 -3.8707E+00 -1.5811E+01  3.3308E+00
 -2.8835E+02 -2.4388E+03 -2.7341E+03
CT            1501   12.011000    0.145000
 -1.0722E+01 -8.4988E+00  1.2911E+01
  5.2153E-01  1.4550E+00 -5.6017E+00
 -3.0660E+03 -1.9987E+03 -2.8865E+03
OH            1502    0.000000   -0.683000
 -9.9047E+00 -9.6284E+00  1.2700E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1503    1.008000    0.418000
 -1.0224E+01 -1.0463E+01  1.3009E+01
  8.1503E+00 -1.6345E+01 -3.1469E+01
 -3.5049E+03  3.4230E+03  3.6340E+01
HC            1504    1.008000    0.040000
 -1.1744E+01 -8.7562E+00  1.2635E+01
 -3.7129E+00 -9.4771E-01  1.1194E+01
  6.3114E+02  2.1628E+02 -2.1950E+03
HC            1505    1.008000    0.040000
 -1.0322E+01 -7.7412E+00  1.2237E+01
 -1.9909E+01  9.0074E+00 -9.9596E+00
 -2.0274E+03  1.6014E+03  1.2024E+03
HC            1506    1.008000    0.040000
 -1.0950E+01 -8.0993E+00  1.3899E+01
 -5.8451E+00 -4.1435E+00 -4.7362E+00
  4.0462E+03 -1.3621E+03  1.0387E+03
CT            1507   12.011000    0.145000
 -5.1288E+00  1.9600E+01 -6.0804E-02
 -2.2195E+00  5.5483E+00  1.5512E+00
 -4.1044E+03 -2.6622E+03  3.6198E+03
OH            1508    0.000000   -0.683000
 -4.2706E+00  1.9624E+01  1.0577E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1509    1.008000    0.418000
 -3.4868E+00  1.9900E+01  6.0783E-01
 -7.0964E+00 -1.1561E+01 -2.0834E+01
 -1.1638E+03  1.0389E+03  4.6404E+01
HC            1510    1.008000    0.040000
 -4.9060E+00  1.8908E+01 -8.7306E-01
 -8.3981E-01  8.9909E+00 -1.0278E+00
  3.1942E+03 -3.1393E+02  1.4019E+03
HC            1511    1.008000    0.040000
 -5.4214E+00 -2.0370E+01 -5.4883E-01
 -1.8831E+01  8.7939E+00  1.6641E+01
  2.2265E+03  1.0851E+03  2.4221E+03
HC            1512    1.008000    0.040000
 -6.0949E+00  1.9221E+01  2.7272E-01
 -2.7765E+00  4.7241E+00 -9.7627E-01
 -3.2627E+02  3.1972E+02  9.2263E+02
CT            1513   12.011000    0.145000
  1.1049E+01 -6.6742E+00  1.7751E+01
 -3.4699E+00 -2.1888E+00  3.7613E+00
  4.2955E+03  5.0046E+03 -3.4553E+02
OH            1514    0.000000   -0.683000
  1.2108E+01 -7.4493E+00  1.8268E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1515    1.008000    0.418000
  1.1705E+01 -7.8379E+00  1.9029E+01
  1.0235E+01  1.8532E+01  1.5802E+01
  1.3402E+03 -3.3226E+02 -3.8075E+02
HC            1516    1.008000    0.040000
  1.1621E+01 -6.0450E+00  1.7069E+01
 -7.2190E-01 -5.6453E+00  2.8458E+00
 -2.6387E+03  1.9119E+02 -2.6448E+03
HC            1517    1.008000    0.040000
  1.0683E+01 -6.0393E+00  1.8558E+01
 -2.3349E+01 -1.8144E+01  8.1260E+00
 -2.9259E+03 -1.1950E+03 -6.8086E+02
HC            1518    1.008000    0.040000
  1.0294E+01 -7.2851E+00  1.7257E+01
 -4.0309E-01  2.0908E+00 -6.4853E+00
 -6.8942E+02  1.1352E+03  1.0658E+03
CT            1519   12.011000    0.145000
 -2.1709E+00 -1.2001E+01  8.9295E+00
 -1.4173E+00  6.8293E+00 -3.5559E+00
  1.3047E+03 -1.1895E+03 -7.1553E+02
OH            1520    0.000000   -0.683000
 -9.1479E-01 -1.1525E+01  9.3588E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1521    1.008000    0.418000
 -4.2180E-01 -1.1364E+01  8.5689E+00
 -1.5167E+01  7.4232E+00 -8.4027E+00
  6.4166E+02 -9.4535E+02  7.8450E+02
HC            1522    1.008000    0.040000
 -1.9498E+00 -1.2875E+01  8.3170E+00
  1.2985E+01 -4.6705E+00  1.6824E+01
 -1.1443E+03 -2.0373E+02  8.7191E+02
HC            1523    1.008000    0.040000
 -2.7507E+00 -1.1309E+01  8.3185E+00
  6.0548E+00  5.7104E-01 -1.8240E+01
  5.2920E+02  6.0330E+02  9.6220E+02
HC            1524    1.008000    0.040000
 -2.7348E+00 -1.2310E+01  9.8093E+00
 -1.6061E+01  5.0558E+00 -1.3212E+01
 -1.3631E+03 -3.7650E+02 -1.3107E+03
CT            1525   12.011000    0.145000
  7.3568E+00  9.9866E+00  1.7932E+01
 -9.1916E-01  1.1433E-01 -5.5847E-01
  6.5281E+01 -1.0807E+03  1.3760E+03
OH            1526    0.000000   -0.683000
  6.9682E+00  1.1037E+01  1.8788E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1527    1.008000    0.418000
  6.5958E+00  1.1653E+01  1.8176E+01
  1.0014E+01  1.2116E+01  5.6324E+00
 -2.9176E+03 -5.6517E+02  1.8706E+03
HC            1528    1.008000    0.040000
  6.4252E+00  9.5132E+00  1.7622E+01
  3.7566E+00 -8.8780E+00 -1.2106E+00
  1.1229E+03 -1.0895E+03 -1.5472E+03
HC            1529    1.008000    0.040000
  7.9930E+00  9.2363E+00  1.8401E+01
 -6.3404E+00 -3.8589E+00  5.3772E-01
 -9.5481E+02 -1.4365E+02  1.2802E+03
HC            1530    1.008000    0.040000
  7.9456E+00  1.0359E+01  1.7093E+01
  8.3101E+00  1.0136E+01  1.0016E+01
 -1.4876E+03  3.3787E+02 -3.1244E+02
CT            1531   12.011000    0.145000
 -5.9290E+00  2.0341E+01  3.8307E+00
  2.4780E+00 -7.1453E+00  3.5983E+00
  1.6404E+02  1.8984E+03  5.1200E+02
OH            1532    0.000000   -0.683000
 -4.5851E+00 -2.0164E+01  3.6703E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1533    1.008000    0.418000
 -4.4091E+00  2.0290E+01  2.8562E+00
 -1.6818E+01  1.3094E+01 -1.1540E+01
  1.4723E+03  1.3396E+03  3.7741E+02
HC            1534    1.008000    0.040000
 -6.1094E+00  1.9413E+01  4.3736E+00
 -1.3425E+01 -4.9400E+00  2.5605E+00
  6.6016E+02 -4.1379E+02 -1.2865E+03
HC            1535    1.008000    0.040000
 -6.1904E+00  2.0280E+01  2.7743E+00
  1.1038E+01 -4.8522E+00  1.2668E+00
 -3.5468E+03 -1.5968E+03  1.2806E+03
HC            1536    1.008000    0.040000
 -6.5274E+00 -1.9799E+01  4.3342E+00
  7.0314E-01 -1.1742E+01  8.5170E+00
  2.7574E+02  3.1259E+02  1.5432E+01
CT            1537   12.011000    0.145000
 -9.6735E+00  1.1404E+01 -9.7767E+00
  1.5183E+00 -2.6020E+00  5.3028E+00
  8.8596E+02 -9.8959E+02 -8.6250E+02
OH            1538    0.000000   -0.683000
 -1.0585E+01  1.0359E+01 -1.0035E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1539    1.008000    0.418000
 -1.0114E+01  9.5636E+00 -1.0231E+01
  1.8005E+01  9.8981E+00  9.2338E-01
  1.9205E+03  1.6115E+03 -7.0275E+02
HC            1540    1.008000    0.040000
 -8.8879E+00  1.1152E+01 -9.0641E+00
  1.3974E+01 -4.8859E+00 -8.7347E+00
 -3.0913E+02 -5.7666E+02 -3.3065E+02
HC            1541    1.008000    0.040000
 -1.0208E+01  1.2277E+01 -9.4030E+00
 -1.5272E-02 -5.2293E+00  9.3186E+00
 -7.3940E+02 -4.5830E+02 -4.2388E+02
HC            1542    1.008000    0.040000
 -9.1848E+00  1.1656E+01 -1.0718E+01
 -4.8936E-01 -8.5087E+00  2.6278E+00
  5.9078E+02  2.8103E+02  3.6243E+02
CT            1543   12.011000    0.145000
  1.3201E+00 -1.5271E+00  1.7641E+01
 -5.3985E-01 -4.2735E+00  3.6690E+00
 -6.4323E+02 -3.6639E+03  2.9293E+03
OH            1544    0.000000   -0.683000
  8.6226E-01 -2.3576E+00  1.6598E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1545    1.008000    0.418000
  1.2989E-01 -1.9222E+00  1.6189E+01
 -1.1759E+01 -7.5404E+00  1.2194E+01
  1.8343E+03  9.8802E+02 -9.6259E+02
HC            1546    1.008000    0.040000
  4.5330E-01 -1.1051E+00  1.8149E+01
  9.1403E+00  2.6060E+01 -2.9284E+00
  1.4331E+03  5.1231E+02  2.9963E+02
HC            1547    1.008000    0.040000
  1.9948E+00 -6.9587E-01  1.7436E+01
 -1.8670E+00 -3.3441E+00  3.0538E+00
 -2.0085E+03  3.1592E+02 -3.5766E+03
HC            1548    1.008000    0.040000
  1.8556E+00 -2.1047E+00  1.8394E+01
 -4.0722E+01 -2.1818E+01  2.1760E+01
 -1.8332E+03 -7.4044E+02 -1.6064E+03
CT            1549   12.011000    0.145000
 -1.6634E+01 -8.3982E+00 -4.8725E+00
 -1.8005E+00  4.0820E+00 -3.5137E+00
  2.4581E+03  3.2756E+03 -2.6499E+03
OH            1550    0.000000   -0.683000
 -1.6498E+01 -9.2836E+00 -5.9615E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1551    1.008000    0.418000
 -1.7283E+01 -9.8107E+00 -5.9472E+00
  1.9127E+00 -2.7756E+00  5.8453E+00
 -5.5158E+02  9.5714E+02 -8.2276E+02
HC            1552    1.008000    0.040000
 -1.7365E+01 -7.7162E+00 -5.3061E+00
 -1.2750E+01 -7.0336E+00 -3.0887E+00
 -1.9709E+03  7.7249E+02  4.7463E+03
HC            1553    1.008000    0.040000
 -1.5704E+01 -7.8508E+00 -4.7188E+00
 -3.8454E+00  4.4768E+00  8.3971E+00
  1.1599E+02 -2.1978E+01  6.9661E+02
HC            1554    1.008000    0.040000
 -1.6914E+01 -8.8941E+00 -3.9431E+00
 -1.1110E+01  3.1821E+00 -6.6938E+00
 -1.8793E+03  5.1113E+02 -7.5069E+02
CT            1555   12.011000    0.145000
  1.6311E+01 -1.1437E+01  5.6165E+00
  1.4557E-01  8.6190E-01 -1.1995E+00
  1.1027E+03 -2.9658E+03 -4.6184E+02
OH            1556    0.000000   -0.683000
  1.5041E+01 -1.1851E+01  5.1666E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1557    1.008000    0.418000
  1.5114E+01 -1.1519E+01  4.2849E+00
  3.1503E+01  2.4902E+01  1.0035E+01
  4.9937E+02 -1.1075E+03  1.5734E+03
HC            1558    1.008000    0.040000
  1.6505E+01 -1.1633E+01  6.6712E+00
 -2.1984E+01  4.3233E+00  4.0059E+00
 -2.9023E+03  1.2249E+03  5.3959E+02
HC            1559    1.008000    0.040000
  1.6610E+01 -1.0419E+01  5.3669E+00
  3.9897E+00 -2.2042E+00 -9.4724E+00
 -2.4493E+03  4.1953E+02  3.0807E+02
HC            1560    1.008000    0.040000
  1.7106E+01 -1.2034E+01  5.1699E+00
 -7.4060E+00 -9.3726E+00 -1.3116E+00
 -1.5642E+03 -6.9197E+02 -2.1515E+03
CT            1561   12.011000    0.145000
 -1.8636E+01 -1.1712E+01 -3.1255E+00
  6.4364E-01 -2.6666E+00 -1.6938E+00
 -1.1074E+03  1.7828E+03  2.0473E+03
OH            1562    0.000000   -0.683000
 -1.7622E+01 -1.2047E+01 -2.2053E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1563    1.008000    0.418000
 -1.7022E+01 -1.1337E+01 -2.3753E+00
 -2.4262E+00  4.7672E-01 -6.8801E+00
  2.8392E+03 -2.0293E+03  2.6974E+03
HC            1564    1.008000    0.040000
 -1.8965E+01 -1.0685E+01 -2.9677E+00
 -4.4230E+00 -9.0622E-01 -2.1147E+01
  2.6934E+03  5.7532E+02  1.7248E+02
HC            1565    1.008000    0.040000
 -1.9606E+01 -1.2173E+01 -2.9424E+00
  7.2248E+00 -2.0124E+01 -8.6283E+00
  1.5308E+03 -4.3460E+03 -2.6843E+03
HC            1566    1.008000    0.040000
 -1.8121E+01 -1.1756E+01 -4.0850E+00
  3.0335E+01 -6.9985E+00  1.3275E+01
 -3.3877E+03 -1.4649E+03  7.0154E+01
CT            1567   12.011000    0.145000
 -9.2707E+00 -1.0464E+01 -9.3461E+00
  4.4955E+00 -4.5741E+00  1.4006E+00
 -2.6730E+03  2.5414E+03  4.9453E+02
OH            1568    0.000000   -0.683000
 -8.4501E+00 -9.4716E+00 -8.7709E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1569    1.008000    0.418000
 -7.6279E+00 -9.5054E+00 -9.2355E+00
 -1.1176E+00  1.0153E+01 -2.9602E+00
 -2.8600E+02  5.3018E+02 -3.5586E+02
HC            1570    1.008000    0.040000
 -1.0127E+01 -1.0551E+01 -8.6775E+00
  1.8538E+01 -2.3946E+01  1.8125E+01
  1.7124E+03 -4.1162E+03  1.3983E+03
HC            1571    1.008000    0.040000
 -8.5354E+00 -1.1268E+01 -9.3725E+00
  3.9735E+00 -6.3848E+00  2.3450E+01
 -4.6441E+03 -3.0805E+03 -6.4733E+02
HC            1572    1.008000    0.040000
 -9.7328E+00 -1.0150E+01 -1.0282E+01
  8.0431E+00 -1.4852E+01 -3.9574E+00
  2.9942E+03 -1.3215E+03 -2.0324E+03
CT            1573   12.011000    0.145000
  1.4362E+01 -1.2913E+01  8.9659E+00
 -1.2591E+00  1.3227E+00  1.9704E+00
  1.7595E+03 -1.2856E+02 -9.2203E+02
OH            1574    0.000000   -0.683000
  1.4020E+01 -1.1891E+01  8.0571E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1575    1.008000    0.418000
  1.4017E+01 -1.2262E+01  7.1879E+00
 -9.8234E+00  3.9777E+00 -1.7978E+00
  2.1598E+03  2.4316E+03 -8.3864E+02
HC            1576    1.008000    0.040000
  1.3976E+01 -1.3908E+01  8.7404E+00
  2.8806E+00  5.5919E+00 -2.8114E+01
 -1.8469E+03  2.1106E+03 -3.4524E+03
HC            1577    1.008000    0.040000
  1.4116E+01 -1.2784E+01  1.0020E+01
  1.9270E+01 -3.6200E+00  7.8412E+00
  1.3812E+03  2.8460E+03 -5.8538E+02
HC            1578    1.008000    0.040000
  1.5434E+01 -1.3075E+01  8.8522E+00
  1.8427E+00  2.0928E+01 -1.0852E-01
  2.8133E+02  1.4483E+03  1.8682E+03
CT            1579   12.011000    0.145000
  1.6136E+01 -1.7893E-01  1.3863E+01
  4.8354E+00  2.0775E+00  8.1990E-01
  1.6349E+02  3.6382E+02  2.2691E+03
OH            1580    0.000000   -0.683000
  1.6628E+01 -1.4622E+00  1.4178E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1581    1.008000    0.418000
  1.6196E+01 -1.9882E+00  1.3522E+01
  4.0566E+00  4.7269E+00 -6.5830E+00
 -2.1210E+02 -1.8569E+03  1.9112E+03
HC            1582    1.008000    0.040000
  1.5388E+01  2.2983E-01  1.4542E+01
 -2.5951E+01 -2.3840E+01 -1.4744E+01
  6.4472E+02 -2.2506E+03 -2.4732E+02
HC            1583    1.008000    0.040000
  1.5618E+01 -4.6318E-01  1.2946E+01
  1.4714E+01 -6.5790E+00 -2.2739E+00
  1.1420E+03  4.9575E+03 -1.5996E+03
HC            1584    1.008000    0.040000
  1.7015E+01  4.6238E-01  1.3804E+01
 -8.9092E+00  2.0857E+01 -1.2172E+01
 -1.6968E+03  1.4927E+03 -3.2460E+03
CT            1585   12.011000    0.145000
 -1.6964E+01  1.0914E+01 -3.8039E+00
  8.1898E+00  1.2646E+00  1.7862E+00
 -4.1836E+03  8.0476E+01 -1.0612E+02
OH            1586    0.000000   -0.683000
 -1.7242E+01  1.0724E+01 -2.4346E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1587    1.008000    0.418000
 -1.8156E+01  1.0510E+01 -2.3198E+00
  1.0953E+00 -3.6395E+00  2.0737E+00
  3.5193E+02 -2.7906E+03 -2.6678E+03
HC            1588    1.008000    0.040000
 -1.7125E+01  9.9980E+00 -4.3733E+00
 -1.2116E+01 -2.8003E+00  1.3069E+01
  1.8385E+03  5.3330E+01  5.6901E+02
HC            1589    1.008000    0.040000
 -1.5944E+01  1.1297E+01 -3.8287E+00
  1.8872E+01 -2.5355E+01 -1.4628E+01
 -2.3469E+02 -2.2283E+03 -3.9142E+03
HC            1590    1.008000    0.040000
 -1.7741E+01  1.1594E+01 -4.1522E+00
 -3.0338E-01 -7.0475E+00  4.0865E+00
  1.3511E+03  1.1448E+03 -8.3671E+02
CT            1591   12.011000    0.145000
  1.3168E+01  7.8745E+00  1.4294E+01
  6.1220E-01 -4.8491E-01 -2.6413E-02
 -5.2547E+03  2.9571E+03 -1.0111E+03
OH            1592    0.000000   -0.683000
  1.2493E+01  6.9769E+00  1.5146E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1593    1.008000    0.418000
  1.2288E+01  6.2487E+00  1.4580E+01
  1.1800E+00  1.9423E+01 -2.7410E+01
  1.2666E+03  1.8106E+03 -1.2575E+03
HC            1594    1.008000    0.040000
  1.3067E+01  8.8460E+00  1.4777E+01
 -9.8101E+00  5.8890E-01 -4.1003E+00
  2.9859E+03  2.3627E+02  4.3776E+01
HC            1595    1.008000    0.040000
  1.2596E+01  8.0744E+00  1.3388E+01
  5.9306E+00 -2.3193E+00 -3.8447E+00
 -7.9300E+02 -1.4406E+03 -1.8430E+02
HC            1596    1.008000    0.040000
  1.4146E+01  7.6081E+00  1.3893E+01
 -5.9144E+00 -1.5676E+01 -6.6525E+00
  6.3654E+01 -7.2610E+02  2.7071E+03
CT            1597   12.011000    0.145000
  1.5720E+01  1.0321E+01  6.8404E+00
  6.1192E-01  2.6965E+00  7.2619E-01
  8.1004E+02 -6.7737E+03 -2.5405E+02
OH            1598    0.000000   -0.683000
  1.6547E+01  1.0437E+01  5.7042E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1599    1.008000    0.418000
  1.6923E+01  9.5699E+00  5.6850E+00
  2.6886E+00  5.4107E-01  1.5438E+01
 -1.0478E+03  4.5870E+01 -2.0336E+03
HC            1600    1.008000    0.040000
  1.6324E+01  1.0071E+01  7.7128E+00
 -5.2734E+00  5.8442E+00  5.7820E+00
  6.9200E+02  3.3790E+03  6.1551E+02
HC            1601    1.008000    0.040000
  1.5218E+01  9.3562E+00  6.9051E+00
  3.3598E+01 -1.5389E+01  1.0241E+01
  3.4963E+02  8.5709E+02 -3.6235E+03
HC            1602    1.008000    0.040000
  1.4913E+01  1.1027E+01  7.0346E+00
 -4.8892E+00 -1.9446E+00 -4.8504E+00
  3.2526E+03  2.8450E+03 -4.7777E+02
CT            1603   12.011000    0.145000
 -6.4882E+00  1.3133E+01  9.0285E+00
  2.4053E+00 -2.5589E-01 -2.3778E+00
 -6.7672E+02 -5.0243E+03  2.5837E+03
OH            1604    0.000000   -0.683000
 -5.5090E+00  1.3461E+01  9.9885E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1605    1.008000    0.418000
 -5.6513E+00  1.4379E+01  1.0159E+01
 -2.9006E+01 -3.0108E+00 -2.9493E+00
 -2.0719E+02 -4.6814E+02 -2.4557E+03
HC            1606    1.008000    0.040000
 -6.4371E+00  1.3512E+01  8.0079E+00
 -3.1450E+00  9.7512E+00  9.2201E-01
  1.0534E+03  2.8158E+03  1.5213E+03
HC            1607    1.008000    0.040000
 -7.4955E+00  1.3276E+01  9.4197E+00
 -2.4140E-01  1.4291E+01 -1.3633E+01
  2.3057E+02  2.2776E+03 -4.8573E+02
HC            1608    1.008000    0.040000
 -6.4483E+00  1.2053E+01  8.8843E+00
  4.9014E+00 -1.0012E-02 -3.5808E+00
  8.9774E+02 -3.8337E+02  1.9415E+02
CT            1609   12.011000    0.145000
 -1.8426E+01 -7.9042E+00  9.1245E+00
 -2.6356E+00 -5.0583E+00 -5.9299E+00
 -1.2701E+03  4.2097E+03  3.9800E+03
OH            1610    0.000000   -0.683000
 -1.8965E+01 -8.7609E+00  1.0106E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1611    1.008000    0.418000
 -1.8317E+01 -8.7431E+00  1.0794E+01
  8.2421E+00  2.9962E+01 -7.0546E+00
 -3.1397E+03  2.2556E+03  1.5386E+03
HC            1612    1.008000    0.040000
 -1.7357E+01 -7.7241E+00  9.0079E+00
 -4.9310E+00  7.5838E+00 -8.9436E+00
  2.6966E+02 -6.4315E+03 -1.5628E+03
HC            1613    1.008000    0.040000
 -1.8491E+01 -6.9279E+00  9.6051E+00
  5.7787E+00 -1.0300E+01  6.3722E+00
 -4.0747E+03  7.8309E+01 -5.9526E+02
HC            1614    1.008000    0.040000
 -1.8994E+01 -7.9772E+00  8.1969E+00
  3.4795E+00 -1.5624E+01 -9.0114E+00
  1.5390E+03  1.1686E+03 -5.7455E+02
CT            1615   12.011000    0.145000
 -1.9996E+01 -6.7570E+00  2.4404E+00
  3.0498E+00  1.7457E+00 -2.2016E+00
  1.5899E+03  1.1501E+03 -1.2358E+03
OH            1616    0.000000   -0.683000
  1.9969E+01 -6.3778E+00  1.4547E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1617    1.008000    0.418000
  1.9075E+01 -6.5541E+00  1.7041E+00
 -3.4441E+00  6.8774E+00 -7.0489E+00
  1.4726E+03 -4.2687E+02  3.8409E+03
HC            1618    1.008000    0.040000
 -1.9007E+01 -6.8707E+00  1.9962E+00
  1.3717E+01 -1.2493E+01  2.3045E+01
 -5.2928E+02 -1.2215E+03  6.5663E+02
HC            1619    1.008000    0.040000
 -2.0213E+01 -7.6640E+00  3.0049E+00
  9.0381E-01  6.4576E+00  4.6775E+00
 -8.5103E+02 -4.7750E+02 -1.6266E+03
HC            1620    1.008000    0.040000
 -1.9850E+01 -5.9948E+00  3.2057E+00
 -1.7907E+01  7.7538E-01  3.3992E+00
 -1.4297E+03 -3.5732E+02  2.0236E+02
CT            1621   12.011000    0.145000
 -1.6992E+01  4.7877E+00  1.4956E+01
 -3.9792E+00  7.6318E+00  3.0436E+00
 -1.6242E+02  9.9037E+02 -6.5557E+02
OH            1622    0.000000   -0.683000
 -1.7742E+01  4.8612E+00  1.3765E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1623    1.008000    0.418000
 -1.8578E+01  5.2051E+00  1.4040E+01
  7.0828E-01 -1.7993E+01  2.8840E+01
 -3.6308E+02 -3.9651E+03  9.1726E+02
HC            1624    1.008000    0.040000
 -1.6603E+01  5.7946E+00  1.5107E+01
 -2.2960E+01  1.3586E+01  1.5973E+01
 -1.7300E+03  1.3158E+01  2.7467E+03
HC            1625    1.008000    0.040000
 -1.6116E+01  4.1579E+00  1.5113E+01
 -8.6106E+00  4.8839E+00  1.9902E+01
 -6.1720E+02 -9.2545E+02 -5.1519E+03
HC            1626    1.008000    0.040000
 -1.7558E+01  4.3864E+00  1.5797E+01
  6.8687E+00 -4.2066E+00  5.0084E+00
 -1.2096E+03  2.6659E+03 -1.6859E+02
CT            1627   12.011000    0.145000
  1.0122E+01  1.5664E+01  1.6804E+01
  2.0109E+00 -3.1178E+00  4.9622E+00
  1.7245E+03 -4.1352E+03 -6.2369E+03
OH            1628    0.000000   -0.683000
  1.1386E+01  1.6272E+01  1.6666E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1629    1.008000    0.418000
  1.1439E+01  1.6781E+01  1.7460E+01
 -1.5176E+01  1.3285E+01 -6.9494E+00
  1.5564E+03 -2.8302E+03  7.7286E+02
HC            1630    1.008000    0.040000
  9.3547E+00  1.6437E+01  1.6763E+01
 -2.1388E+00 -7.3541E+00  1.6072E+00
 -1.7913E+03 -2.1746E+03  2.5834E+03
HC            1631    1.008000    0.040000
  1.0107E+01  1.4849E+01  1.7528E+01
 -6.4821E+00 -6.9021E+00  6.7112E-01
 -2.4938E+03  2.7893E+03  2.7155E+03
HC            1632    1.008000    0.040000
  1.0091E+01  1.5094E+01  1.5876E+01
 -1.1979E+00 -1.6353E+00  4.1424E+00
 -2.6513E+03  1.2038E+03 -1.3982E+03
CT            1633   12.011000    0.145000
  1.5206E+01 -8.5673E+00 -3.2494E+00
  6.8373E-01 -2.9906E-01 -8.9140E+00
 -3.1285E+03 -1.2847E+03  2.3824E+03
OH            1634    0.000000   -0.683000
  1.4341E+01 -7.4579E+00 -3.3440E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1635    1.008000    0.418000
  1.3957E+01 -7.5551E+00 -4.2018E+00
  4.7205E+00 -1.0282E+01 -1.1011E+00
 -1.5737E+02  1.1001E+03  1.5745E+02
HC            1636    1.008000    0.040000
  1.5739E+01 -8.7050E+00 -4.1904E+00
 -2.5162E+01 -1.4499E+00 -2.4337E+01
  7.5235E+02 -4.1621E+02  2.0304E+03
HC            1637    1.008000    0.040000
  1.4573E+01 -9.4407E+00 -3.0918E+00
  1.8886E+01 -1.5074E+01 -1.4065E+01
  1.2930E+03 -1.0963E+03 -1.4861E+03
HC            1638    1.008000    0.040000
  1.5747E+01 -8.4273E+00 -2.3137E+00
 -7.1902E+00  1.8703E+01 -6.7457E+00
  1.8427E+03  2.4725E+01 -1.5913E+03
CT            1639   12.011000    0.145000
  1.4537E+01 -8.4215E+00  7.8969E+00
  2.0102E+00  2.8706E+00 -5.8721E-01
  2.4158E+03  5.7855E+02 -4.4734E+03
OH            1640    0.000000   -0.683000
  1.5663E+01 -9.1137E+00  8.3887E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1641    1.008000    0.418000
  1.5378E+01 -9.9896E+00  8.6004E+00
  1.4177E+00 -3.2535E-01  5.7154E-01
 -1.1966E+03  2.0968E+02 -8.1338E+02
HC            1642    1.008000    0.040000
  1.3885E+01 -8.0438E+00  8.6846E+00
  2.1054E+00  1.4818E+01 -6.0194E+00
 -2.2943E+02  1.7572E+02 -9.9144E+02
HC            1643    1.008000    0.040000
  1.3979E+01 -8.8877E+00  7.0847E+00
  1.9196E+00  3.5689E-01  9.0695E-01
 -7.8593E+02 -4.1961E+03  2.7441E+03
HC            1644    1.008000    0.040000
  1.4873E+01 -7.6500E+00  7.2042E+00
  8.8628E+00 -7.3324E+00 -8.9441E+00
  1.1612E+03  2.6650E+03  3.7086E+03
CT            1645   12.011000    0.145000
 -9.1449E+00  1.5257E+00  1.7699E+01
  9.8629E+00  3.7920E+00 -9.3388E-01
 -1.3357E+03  1.6761E+03  1.8946E+03
OH            1646    0.000000   -0.683000
 -9.6576E+00  2.6712E+00  1.7057E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1647    1.008000    0.418000
 -1.0586E+01  2.6192E+00  1.6890E+01
 -1.0622E+00 -5.0941E+00  7.0393E+00
 -1.3308E+02 -4.8785E+03  2.1054E+03
HC            1648    1.008000    0.040000
 -9.9622E+00  1.0379E+00  1.8230E+01
  9.4891E+00  2.4621E+00 -2.7211E+00
  2.9779E+02 -1.8114E+03 -9.9878E+02
HC            1649    1.008000    0.040000
 -8.4978E+00  1.8963E+00  1.8494E+01
  7.5496E+00  2.3545E+00  1.6370E+00
  1.3675E+03 -1.1229E+03 -5.0143E+02
HC            1650    1.008000    0.040000
 -8.5643E+00  8.9062E-01  1.7030E+01
  2.6741E+01  9.0822E+00  8.1031E+00
 -9.1844E+02 -6.3178E+02  8.5979E+02
CT            1651   12.011000    0.145000
  1.7503E+01  6.5229E+00  5.3352E+00
  8.0594E-01  1.6684E+00 -2.3168E+00
  6.1429E+03  4.0191E+03 -7.0431E+02
OH            1652    0.000000   -0.683000
  1.6853E+01  7.6330E+00  5.9123E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1653    1.008000    0.418000
  1.6917E+01  7.5003E+00  6.8457E+00
 -8.6083E+00  1.8966E+01  3.7642E+00
 -1.7184E+02 -4.7082E+02 -5.8130E+02
HC            1654    1.008000    0.040000
  1.8509E+01  6.8578E+00  5.0825E+00
  1.0307E+01 -1.2114E+01  1.4951E+01
 -1.3955E+03  5.3275E+02 -3.6567E+03
HC            1655    1.008000    0.040000
  1.6965E+01  6.1784E+00  4.4519E+00
  1.5533E+01  1.5700E+01 -1.7487E+01
  1.7697E+03 -2.6418E+03  1.3004E+03
HC            1656    1.008000    0.040000
  1.7873E+01  5.8589E+00  6.1167E+00
 -2.4044E+01 -8.7410E+00  1.5321E+00
 -4.4701E+03 -4.4050E+03 -1.9672E+03
CT            1657   12.011000    0.145000
  5.2582E+00  1.4639E+01 -1.1606E+01
 -8.9979E-01  4.5865E-01  2.7792E-02
  5.7764E+03 -8.0616E+02  2.3180E+02
OH            1658    0.000000   -0.683000
  5.3596E+00  1.4919E+01 -1.2984E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1659    1.008000    0.418000
  4.5217E+00  1.5316E+01 -1.3167E+01
 -9.3357E+00 -1.5772E+01  6.4809E+00
  5.4905E+01 -1.1381E+03 -8.7677E+02
HC            1660    1.008000    0.040000
  4.9184E+00  1.5599E+01 -1.1219E+01
  4.5508E+00 -2.6233E+00  1.2976E+01
  9.8575E+02 -1.2588E+03  3.3145E+03
HC            1661    1.008000    0.040000
  6.2890E+00  1.4383E+01 -1.1362E+01
 -4.5838E+00 -9.7492E+00  5.4633E+00
  1.3162E+02  1.7828E+03  2.7026E+03
HC            1662    1.008000    0.040000
  4.7209E+00  1.3737E+01 -1.1311E+01
  5.7638E-02 -7.5912E+00 -2.1074E+01
 -2.6366E+03  1.5071E+03 -2.2721E+03
CT            1663   12.011000    0.145000
  4.5677E+00 -1.8937E+01  1.0422E+00
  2.2807E+00 -2.7719E-01  1.3636E+00
 -6.2256E+03  4.8833E+03 -4.6940E+03
OH            1664    0.000000   -0.683000
  5.2562E+00 -1.9180E+01 -1.6401E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1665    1.008000    0.418000
  5.1887E+00 -2.0118E+01 -2.5912E-01
  1.8886E+01 -2.3862E+00  5.9344E+00
  9.7920E+02  4.6292E+02 -1.3722E+03
HC            1666    1.008000    0.040000
  4.4427E+00 -1.7867E+01  1.2111E+00
 -6.6363E+00 -3.7017E+00  1.8776E+01
  2.5575E+03 -1.0304E+02  3.4759E+03
HC            1667    1.008000    0.040000
  4.8479E+00 -1.9532E+01  1.9117E+00
  4.6600E+00  9.2506E+00  7.2634E+00
 -2.2523E+02  1.3130E+03  2.7654E+01
HC            1668    1.008000    0.040000
  3.5934E+00 -1.9195E+01  6.2736E-01
  1.0415E+01 -2.5001E+01 -4.0427E+00
 -1.1783E+03 -2.7457E+03  4.5526E+03
CT            1669   12.011000    0.145000
  1.6658E+01 -1.4848E+01  6.9023E+00
  1.4867E+00  4.5270E+00  9.0087E+00
  5.6347E+02 -4.0995E+03 -3.2381E+03
OH            1670    0.000000   -0.683000
  1.8043E+01 -1.4801E+01  6.6384E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1671    1.008000    0.418000
  1.8382E+01 -1.4366E+01  7.4056E+00
  1.2131E+01 -1.3061E+01  2.4698E+00
  9.0414E+02  1.0078E+03 -1.4363E+03
HC            1672    1.008000    0.040000
  1.6191E+01 -1.5589E+01  6.2540E+00
  1.8020E+00  1.1500E+01  6.2614E-01
  8.7540E+02 -7.4497E+02 -2.0383E+02
HC            1673    1.008000    0.040000
  1.6189E+01 -1.3941E+01  6.5229E+00
  2.8228E+01  1.0978E+01 -1.1769E+01
  5.0612E+02 -1.4518E+02  3.5710E+03
HC            1674    1.008000    0.040000
  1.6453E+01 -1.5137E+01  7.9329E+00
 -5.8187E+00  3.9218E+01  1.8591E+01
 -7.9380E+02  2.9208E+03 -4.0592E+02
CT            1675   12.011000    0.145000
 -6.6613E+00  1.6845E+01  8.7095E+00
  1.7204E-01 -2.8350E+00 -1.1469E+00
 -8.8993E+03 -3.3188E+03  3.8568E+03
OH            1676    0.000000   -0.683000
 -6.0058E+00  1.6414E+01  9.8812E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1677    1.008000    0.418000
 -5.9277E+00  1.7211E+01  1.0384E+01
  2.6283E+00 -4.9938E+00  7.6849E+00
  3.6250E+02 -2.3280E+03  3.7004E+03
HC            1678    1.008000    0.040000
 -7.1604E+00  1.6004E+01  8.2282E+00
  1.7655E+01 -2.0596E+01  1.0199E+01
  2.2254E+03 -2.7137E+02 -1.4182E+03
HC            1679    1.008000    0.040000
 -6.2898E+00  1.7613E+01  8.0306E+00
  6.9271E+00  3.0598E+00  8.9459E+00
  2.3535E+03 -4.7817E+02  1.8907E+03
HC            1680    1.008000    0.040000
 -7.4810E+00  1.7310E+01  9.2570E+00
  7.8183E+00  1.5527E+01 -4.5542E+00
 -7.4018E+02  2.6971E+03 -2.5351E+03
CT            1681   12.011000    0.145000
  1.7976E+01 -1.9839E+01  6.9162E-01
  1.7933E+00 -4.4777E-03 -2.6108E+00
  6.3515E+03 -5.9919E+03 -1.9700E+03
OH            1682    0.000000   -0.683000
  1.8937E+01 -1.9049E+01  1.3546E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1683    1.008000    0.418000
  1.8485E+01 -1.8242E+01  1.5503E+00
  7.6611E+00  2.0017E+00  1.0328E+01
 -3.3708E+02 -5.9831E+02  9.1717E+02
HC            1684    1.008000    0.040000
  1.6901E+01 -1.9865E+01  8.7061E-01
  4.8876E+00 -2.9158E+01  1.9064E+01
  2.2572E+03  2.5466E+03  2.2660E+03
HC            1685    1.008000    0.040000
  1.8333E+01  2.0069E+01  9.6477E-01
  1.2480E+01 -9.8478E-01 -1.8791E+01
 -2.4435E+03 -9.5299E+02  1.1437E+02
HC            1686    1.008000    0.040000
  1.8226E+01 -1.9895E+01 -3.6779E-01
  1.0504E+01  1.0573E+00 -6.8610E-01
 -1.2708E+03  1.7319E+03 -5.6387E+02
CT            1687   12.011000    0.145000
  7.6029E+00 -1.2762E+01 -1.0826E+00
  3.9751E-01  2.0761E+00 -5.6245E-01
  6.9030E+02  7.0496E+03 -3.4332E+03
OH            1688    0.000000   -0.683000
  8.8428E+00 -1.3150E+01 -1.6303E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1689    1.008000    0.418000
  9.0734E+00 -1.3820E+01 -1.0051E+00
 -2.7722E+00 -3.2115E+00 -2.3803E+00
 -1.6187E+02 -1.9591E+03 -2.0288E+03
HC            1690    1.008000    0.040000
  6.6708E+00 -1.3308E+01 -1.2293E+00
  4.6833E+00 -6.7683E+00  4.2907E+00
  3.0007E+03 -5.0325E+03  1.4215E+03
HC            1691    1.008000    0.040000
  7.2351E+00 -1.1857E+01 -1.5664E+00
  8.1860E+00 -3.0035E+00 -1.6700E+01
  3.0118E+03  1.5376E+03 -1.3183E+02
HC            1692    1.008000    0.040000
  7.8215E+00 -1.2547E+01 -3.6591E-02
 -9.5339E+00 -7.5397E+00  3.6886E+00
 -2.9518E+03 -6.8492E+02  5.5502E+02
CT            1693   12.011000    0.145000
  9.0149E-01 -1.6476E+01  1.3307E+00
  8.7116E-01  1.4246E-04  1.5324E+00
  3.4771E+03  1.1519E+02  4.6723E+03
OH            1694    0.000000   -0.683000
  7.2076E-01 -1.5081E+01  1.4313E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1695    1.008000    0.418000
 -1.7720E-01 -1.4843E+01  1.6051E+00
 -1.1531E+01 -3.3376E+01 -6.5197E+00
 -6.6548E+02 -4.6581E+03 -9.1585E+02
HC            1696    1.008000    0.040000
  6.0928E-01 -1.6916E+01  2.2842E+00
  3.7701E+00 -1.0832E+00  1.9313E+00
 -1.7347E+03 -1.6804E+03 -1.0569E+03
HC            1697    1.008000    0.040000
  1.9856E+00 -1.6588E+01  1.3469E+00
  1.8324E-01 -7.8670E+00 -2.0956E+00
  1.6056E+02 -1.3464E+03 -1.2927E+03
HC            1698    1.008000    0.040000
  5.4031E-01 -1.7019E+01  4.5768E-01
 -2.2861E+00 -9.6600E+00  8.6777E+00
 -2.0737E+03  8.9650E+02  9.9729E+02
CT            1699   12.011000    0.145000
 -1.9196E+01  6.0380E+00 -4.4027E+00
  4.4124E+00  3.5238E+00  3.9441E-01
 -4.2019E+02  4.0792E+03 -8.3395E+03
OH            1700    0.000000   -0.683000
 -1.8365E+01  5.0511E+00 -4.9707E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1701    1.008000    0.418000
 -1.7525E+01  5.4276E+00 -5.1861E+00
  1.6467E+01 -2.0312E+01  2.3048E+01
 -1.1787E+03 -2.6972E+02  6.2600E+02
HC            1702    1.008000    0.040000
 -1.8737E+01  6.9421E+00 -4.8024E+00
  1.0803E+01  1.3121E+00  2.6065E+00
  4.5433E+02  1.1912E+03  1.8790E+03
HC            1703    1.008000    0.040000
 -1.9457E+01  6.1971E+00 -3.3563E+00
 -1.7539E+01 -6.5886E+00 -2.9617E+00
  2.2954E+03 -3.1720E+03 -2.5811E+02
HC            1704    1.008000    0.040000
 -2.0124E+01  6.0279E+00 -4.9749E+00
 -3.4313E+00  1.3209E+01  1.2416E+01
 -1.5324E+03 -4.4897E+02  2.0461E+03
CT            1705   12.011000    0.145000
 -1.5997E+00 -5.5439E+00  1.6944E+01
 -1.2888E+00 -7.2696E-01  2.0164E+00
 -1.0743E+03 -3.4399E+03 -2.2764E+03
OH            1706    0.000000   -0.683000
 -2.7424E+00 -4.8828E+00  1.6449E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1707    1.008000    0.418000
 -2.9157E+00 -4.1679E+00  1.7042E+01
  6.4035E+00 -5.3896E+00  8.6087E+00
  1.1005E+03 -1.0287E+03  1.4720E+03
HC            1708    1.008000    0.040000
 -1.8466E+00 -6.3590E+00  1.7624E+01
  8.9181E+00 -5.2414E+00  4.9833E-01
  2.4842E+02  2.6373E+03  3.1064E+03
HC            1709    1.008000    0.040000
 -8.7354E-01 -4.8087E+00  1.7291E+01
  7.2523E+00 -7.8513E+00 -3.8935E-01
  9.6828E+02 -1.8550E+03  7.1941E+02
HC            1710    1.008000    0.040000
 -1.1936E+00 -6.1442E+00  1.6130E+01
  4.3012E+00  6.7006E+00 -7.8789E-01
  2.5647E+03  2.4332E+03 -9.0266E+02
CT            1711   12.011000    0.145000
  9.0627E+00  1.7225E+01  5.1624E+00
 -2.2187E-01  2.0870E-01  4.7175E-01
  4.6384E+03 -1.7890E+03  3.5533E+03
OH            1712    0.000000   -0.683000
  9.7177E+00  1.8451E+01  4.9272E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1713    1.008000    0.418000
  9.2801E+00  1.9149E+01  5.3908E+00
 -2.1248E+01 -1.5546E+01  4.8809E+00
 -2.7937E+03 -2.0401E+03 -4.0929E+02
HC            1714    1.008000    0.040000
  9.3269E+00  1.7094E+01  6.2116E+00
 -1.9511E+00  9.2260E+00  2.1194E+00
 -6.4665E+03  5.9190E+02  2.0201E+03
HC            1715    1.008000    0.040000
  9.5724E+00  1.6306E+01  4.8719E+00
 -5.0341E+00 -3.4409E+00  3.4140E+00
 -9.0398E+02  7.1016E+02 -4.2375E+03
HC            1716    1.008000    0.040000
  8.0265E+00  1.7276E+01  4.8279E+00
 -4.0095E+00  1.6933E+01  1.3364E+01
 -2.0553E+02 -1.3001E+03  3.1719E+03
CT            1717   12.011000    0.145000
  4.3395E+00  7.1354E+00  1.5180E+01
  2.5300E+00  3.3462E+00  1.3246E+00
 -2.5149E+03  3.6829E+02  2.0463E+03
OH            1718    0.000000   -0.683000
  3.6529E+00  7.9971E+00  1.4300E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1719    1.008000    0.418000
  4.3243E+00  8.5184E+00  1.3887E+01
  1.4170E+00 -3.5394E+00 -2.2129E+00
 -1.1249E+02 -6.3018E+02 -9.6591E+02
HC            1720    1.008000    0.040000
  5.0120E+00  6.4515E+00  1.4662E+01
 -2.8061E+00 -1.4726E+00  6.5862E-01
 -2.3508E+02  1.5482E+02  8.1549E+01
HC            1721    1.008000    0.040000
  3.6029E+00  6.5454E+00  1.5725E+01
  8.6570E+00 -6.8928E+00 -1.2052E+00
  2.1634E+02 -1.3264E+03 -8.6550E+02
HC            1722    1.008000    0.040000
  4.8450E+00  7.7002E+00  1.5963E+01
 -8.5777E+00  2.5620E+01 -6.6932E+00
  4.1874E+02  7.4800E+02 -1.5256E+03
CT            1723   12.011000    0.145000
  7.5966E+00  6.6496E+00 -1.6066E+01
  1.4298E+00 -2.1478E+00  1.5332E+00
  1.3428E+03 -2.7766E+03 -2.6634E+03
OH            1724    0.000000   -0.683000
  6.3902E+00  5.9279E+00 -1.5957E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1725    1.008000    0.418000
  6.5395E+00  5.4962E+00 -1.5130E+01
 -1.6365E+01  6.6564E+00  6.8628E+00
 -4.7439E+03 -8.7102E+02  2.6480E+02
HC            1726    1.008000    0.040000
  7.8112E+00  7.0763E+00 -1.5086E+01
 -1.1968E+00  1.1487E+01 -3.6043E+00
 -3.1796E+02  3.7427E+03 -1.8632E+03
HC            1727    1.008000    0.040000
  7.4652E+00  7.3224E+00 -1.6913E+01
  6.6700E+00  1.4442E+01  1.3367E+01
  1.5653E+03  3.0130E+03  2.2692E+03
HC            1728    1.008000    0.040000
  8.4423E+00  5.9984E+00 -1.6286E+01
 -5.7494E+00 -1.4608E+01  9.5567E+00
 -7.8104E+02 -1.1374E+03 -6.9407E+01
CT            1729   12.011000    0.145000
 -2.9990E+00  1.3689E+00  5.4627E+00
  3.9031E+00  1.6828E+00 -1.8117E+00
 -5.1542E+02 -4.4200E+03  2.3820E+03
OH            1730    0.000000   -0.683000
 -3.2656E+00  6.8109E-01  4.2611E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1731    1.008000    0.418000
 -2.7981E+00  1.2404E+00  3.6597E+00
  2.5916E+00 -3.6171E+00 -1.3864E+00
 -6.3083E+02 -1.9402E+02 -6.3163E+02
HC            1732    1.008000    0.040000
 -3.9257E+00  1.8032E+00  5.8377E+00
 -5.7553E+00 -1.5237E+01 -5.0458E+00
  3.9493E+02 -5.1267E+02  3.7204E+02
HC            1733    1.008000    0.040000
 -2.2221E+00  2.1315E+00  5.5185E+00
 -7.1383E+00  1.3875E+01 -8.9526E+00
 -6.3965E+02  2.6368E+02 -3.5567E+03
HC            1734    1.008000    0.040000
 -2.5813E+00  6.1731E-01  6.1325E+00
  1.7209E+00 -1.3688E+01 -1.6994E+01
 -2.8065E+03 -8.0111E+02  7.3389E+02
CT            1735   12.011000    0.145000
 -7.5496E+00 -1.8025E+00  1.0079E+00
 -2.0084E-02  2.2948E-01 -3.4758E+00
  5.8846E+03  1.0602E+03  2.0857E+03
OH            1736    0.000000   -0.683000
 -7.2400E+00 -3.1753E+00  9.1895E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1737    1.008000    0.418000
 -7.2335E+00 -3.3825E+00 -3.0278E-03
  2.0864E+00 -2.4875E+01  4.9023E+00
  4.5425E+02 -3.2689E+03  1.0909E+03
HC            1738    1.008000    0.040000
 -8.5590E+00 -1.4779E+00  7.5532E-01
  7.1296E+00  9.5610E+00 -2.1955E+01
  9.1537E+02 -9.6884E+02 -1.2332E+03
HC            1739    1.008000    0.040000
 -6.7612E+00 -1.3810E+00  3.8426E-01
  4.4042E+00  1.6780E+01  1.2429E+01
 -2.5930E+03  3.1613E+03 -8.3844E+02
HC            1740    1.008000    0.040000
 -7.2369E+00 -1.5058E+00  2.0090E+00
  8.7962E+00 -1.4056E+01 -1.7097E+00
 -4.6858E+01  7.7102E+01  4.0582E+01
CT            1741   12.011000    0.145000
 -1.8662E+01  1.2091E+01 -7.7307E+00
 -2.3209E+00 -3.6866E+00 -3.1241E+00
  1.8335E+03  2.2920E+02  1.1331E+03
OH            1742    0.000000   -0.683000
 -1.9076E+01  1.1386E+01 -6.5820E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1743    1.008000    0.418000
 -1.9848E+01  1.1841E+01 -6.2827E+00
 -1.7926E+01 -3.3721E+01  1.0299E+01
  1.7023E+03 -1.1497E+03  1.0988E+03
HC            1744    1.008000    0.040000
 -1.7584E+01  1.1986E+01 -7.8605E+00
  2.4037E+00  1.7042E+01  1.3672E+01
 -2.5713E+02  1.0277E+03  6.9673E+02
HC            1745    1.008000    0.040000
 -1.8816E+01  1.3143E+01 -7.4918E+00
  4.1826E+01  4.5883E+00 -2.5830E+00
  2.6351E+03 -6.4862E+02 -2.2508E+03
HC            1746    1.008000    0.040000
 -1.9161E+01  1.1877E+01 -8.6756E+00
 -1.8931E+01  1.3886E+01  1.0405E+00
 -1.5791E+03 -7.2063E+02  1.7385E+03
CT            1747   12.011000    0.145000
  1.6062E+01 -1.1953E+01 -5.6414E+00
 -1.3238E+00  3.9856E+00 -1.8488E+00
  8.7374E+02  1.3085E+03  3.8366E+03
OH            1748    0.000000   -0.683000
  1.7402E+01 -1.1667E+01 -5.9741E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1749    1.008000    0.418000
  1.7930E+01 -1.2061E+01 -5.2969E+00
  1.8935E+00 -7.0294E+00 -5.4451E+00
  3.8395E+01  1.2788E+03  5.1635E+02
HC            1750    1.008000    0.040000
  1.6146E+01 -1.1417E+01 -4.6956E+00
  2.2683E+01  1.2244E+01 -7.9299E+00
 -5.1862E+03  1.2212E+03 -1.0905E+03
HC            1751    1.008000    0.040000
  1.5856E+01 -1.2993E+01 -5.3888E+00
 -4.0713E+00  6.3793E+00  6.0659E+00
 -1.2458E+02 -3.2233E+02 -2.3164E+03
HC            1752    1.008000    0.040000
  1.5474E+01 -1.1525E+01 -6.4533E+00
 -8.8655E+00  5.5700E+00  4.3288E+00
 -2.8341E+03 -7.6264E+01  2.3145E+03
CT            1753   12.011000    0.145000
 -1.0259E+01 -1.5269E+01  3.3130E+00
  4.8224E+00  2.1072E+00 -1.2478E+00
 -2.2711E+03 -9.8170E+02  1.6721E+02
OH            1754    0.000000   -0.683000
 -1.0068E+01 -1.6287E+01  2.3562E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1755    1.008000    0.418000
 -1.0733E+01 -1.6953E+01  2.4409E+00
 -2.1243E+00  1.6145E+00 -3.7198E+00
 -1.7853E+03  1.9111E+03  7.8683E+02
HC            1756    1.008000    0.040000
 -1.1313E+01 -1.5003E+01  3.2337E+00
  4.2174E+00 -2.7912E+00 -1.1199E+01
  1.3866E+02  7.6535E+02  5.8541E+02
HC            1757    1.008000    0.040000
 -9.6681E+00 -1.4366E+01  3.1575E+00
  2.3470E+00  3.6516E+00 -1.7534E+00
  4.3390E+02 -7.2085E+02 -1.1824E+03
HC            1758    1.008000    0.040000
 -1.0079E+01 -1.5574E+01  4.3437E+00
 -1.7582E+00  1.8588E+01  5.1290E+00
 -2.9348E+02 -5.5689E+02 -4.9746E+02
CT            1759   12.011000    0.145000
 -1.2590E+01 -2.7213E+00  6.3678E+00
  1.7757E+00 -3.6483E+00 -3.2921E+00
 -1.5680E+03 -9.5313E+02  2.3390E+01
OH            1760    0.000000   -0.683000
 -1.3219E+01 -2.0539E+00  5.2970E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1761    1.008000    0.418000
 -1.2886E+01 -2.4319E+00  4.4978E+00
  1.8499E+01 -2.7652E+00  8.5061E+00
  1.2783E+03 -8.9628E+02  1.3137E+03
HC            1762    1.008000    0.040000
 -1.2650E+01 -2.1233E+00  7.2771E+00
 -1.7665E+00 -1.5730E+01  4.6620E+00
  1.5718E+02 -3.3319E+02 -5.1445E+01
HC            1763    1.008000    0.040000
 -1.1550E+01 -2.9986E+00  6.1966E+00
  3.9614E+00  5.8232E+00 -5.9463E+00
  2.4050E+02  2.0816E+03 -1.1380E+03
HC            1764    1.008000    0.040000
 -1.3098E+01 -3.6637E+00  6.5733E+00
  5.5592E+00 -6.5681E+00 -7.1514E+00
 -4.2462E+02  1.4497E+02  8.2729E+01
CT            1765   12.011000    0.145000
 -8.0746E+00 -4.3511E+00  1.7121E+01
 -1.0916E-01 -2.3305E-01 -8.0107E-02
  3.4548E+03 -4.0776E+03 -5.2200E+02
OH            1766    0.000000   -0.683000
 -7.8530E+00 -3.9918E+00  1.5776E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1767    1.008000    0.418000
 -7.1425E+00 -4.5185E+00  1.5443E+01
 -5.2425E+00 -6.4908E+00 -1.1330E+00
 -2.1615E+03 -2.0193E+03 -1.4521E+03
HC            1768    1.008000    0.040000
 -7.1219E+00 -4.4243E+00  1.7646E+01
  3.5880E+00  2.0236E+00 -6.3690E+00
  7.6679E+02  1.7066E+03 -6.7522E+02
HC            1769    1.008000    0.040000
 -8.4322E+00 -5.3773E+00  1.7206E+01
 -3.8285E+00 -5.8928E-01 -1.6628E+01
 -8.5454E+02  3.1702E+01 -2.0958E+03
HC            1770    1.008000    0.040000
 -8.7440E+00 -3.7658E+00  1.7752E+01
 -7.2713E+00  2.6930E+00 -1.0146E+01
 -4.9953E+02  1.9720E+03 -3.0640E+03
CT            1771   12.011000    0.145000
  1.9418E+01 -1.6192E+01 -1.7486E+01
 -4.8021E+00 -6.4022E+00  6.0428E+00
  2.7456E+03  4.4792E+03 -3.1418E+02
OH            1772    0.000000   -0.683000
  1.8392E+01 -1.5241E+01 -1.7310E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1773    1.008000    0.418000
  1.8452E+01 -1.4835E+01 -1.8162E+01
  1.1141E+01 -9.3362E+00 -3.9304E+00
  1.5126E+02  1.9877E+03  1.3451E+03
HC            1774    1.008000    0.040000
  1.9165E+01 -1.6621E+01 -1.8456E+01
  2.0490E+00 -1.0445E+01  5.9774E+00
  7.5853E+01 -6.5989E+03  3.1713E+03
HC            1775    1.008000    0.040000
  1.9534E+01 -1.6766E+01 -1.6567E+01
 -7.9543E+00 -3.9868E+01 -1.2835E+01
  2.7049E+01 -3.9485E+03 -3.4798E+03
HC            1776    1.008000    0.040000
  2.0324E+01 -1.5650E+01 -1.7758E+01
 -1.3418E+01  8.9016E+00  6.7201E+00
  5.8245E+02  2.9382E+02  2.2081E+03
CT            1777   12.011000    0.145000
 -5.0408E+00 -3.2450E+00 -1.1257E+01
 -2.2863E+00  1.9633E+00  2.6347E+00
 -3.0267E+03  4.2641E+03 -5.7346E+02
OH            1778    0.000000   -0.683000
 -6.1432E+00 -4.0436E+00 -1.1625E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1779    1.008000    0.418000
 -6.6423E+00 -4.0387E+00 -1.0823E+01
  3.4476E+00  8.8310E+00  2.2083E+00
 -1.7674E+03 -2.0247E+03 -1.3625E+03
HC            1780    1.008000    0.040000
 -5.5117E+00 -2.4630E+00 -1.0662E+01
 -1.9913E+01 -1.0751E+01  6.2040E+00
  1.2212E+03  5.5517E+02 -1.6313E+02
HC            1781    1.008000    0.040000
 -4.6317E+00 -2.8411E+00 -1.2183E+01
  1.4565E+01 -2.0695E+01 -6.7841E-01
  2.7751E+03 -9.2315E+02  1.3117E+03
HC            1782    1.008000    0.040000
 -4.3365E+00 -3.7832E+00 -1.0623E+01
 -7.4997E+00 -1.5398E+01 -5.6772E+00
  6.6660E+02 -1.4221E+02 -2.0141E+03
CT            1783   12.011000    0.145000
 -8.0827E-01  1.8008E+01  1.9303E+01
  3.6991E+00  1.6379E-01  4.6885E+00
  7.3734E+03  1.4149E+03 -6.1572E+02
OH            1784    0.000000   -0.683000
 -5.1598E-01  1.6642E+01  1.9113E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1785    1.008000    0.418000
 -1.0811E+00  1.6400E+01  1.8395E+01
  1.8557E+01  9.4708E+00 -1.8913E+01
 -7.2648E+02 -1.1712E+03  2.5018E+03
HC            1786    1.008000    0.040000
 -5.8120E-01  1.8480E+01  1.8348E+01
 -4.5012E+00  8.0134E+00  6.4801E+00
 -2.7081E+03  5.7853E+02 -5.7696E+02
HC            1787    1.008000    0.040000
  4.4120E-02  1.8409E+01  1.9851E+01
  1.6987E+01 -1.6779E+01 -2.6230E+00
 -1.4574E+03 -5.1658E+01  2.0289E+03
HC            1788    1.008000    0.040000
 -1.7867E+00  1.8372E+01  1.9616E+01
 -4.3948E+00  6.0099E+00 -2.4386E+01
  5.8946E+02 -2.3232E+03 -4.2423E+02
CT            1789   12.011000    0.145000
  1.0146E+01 -7.6727E+00 -5.4308E-01
 -1.0175E+00 -6.6915E-01  6.3660E-01
  9.8278E+02  3.1250E+03  4.2847E+03
OH            1790    0.000000   -0.683000
  9.2231E+00 -6.7196E+00 -1.0198E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1791    1.008000    0.418000
  9.6624E+00 -5.9748E+00 -1.4010E+00
 -7.9363E+00 -3.7675E+00 -1.7512E+01
  2.7247E+02 -1.1709E+03 -1.1856E+03
HC            1792    1.008000    0.040000
  9.7286E+00 -8.5157E+00  7.4759E-03
  1.7821E+01 -1.2633E+01 -2.4663E+00
 -1.1586E+03 -8.5233E+02 -3.2663E+03
HC            1793    1.008000    0.040000
  1.0795E+01 -7.2928E+00  2.4649E-01
  2.0981E+01  6.4393E-01 -1.7048E+01
  7.6079E+01  2.3579E+03 -1.5023E+03
HC            1794    1.008000    0.040000
  1.0834E+01 -8.0090E+00 -1.3187E+00
 -1.4612E+01 -7.3643E+00 -8.9337E+00
 -1.0276E+03 -1.2760E+02 -1.5103E+02
CT            1795   12.011000    0.145000
  5.2720E+00  9.0992E+00 -1.2569E+01
  8.2036E-02  2.5699E+00 -6.1770E+00
 -9.6256E+02 -2.8522E+03  4.3330E+02
OH            1796    0.000000   -0.683000
  3.8936E+00  9.3770E+00 -1.2464E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1797    1.008000    0.418000
  3.4751E+00  8.5339E+00 -1.2548E+01
 -1.3467E+01  5.5916E+00  7.7554E+00
 -1.6903E+03  1.2626E+03 -1.6354E+03
HC            1798    1.008000    0.040000
  5.4188E+00  8.3448E+00 -1.1796E+01
 -1.7478E+01 -2.2983E+01 -2.6029E+01
  2.4733E+03  1.6292E+03 -8.1175E+02
HC            1799    1.008000    0.040000
  5.8489E+00  1.0024E+01 -1.2552E+01
 -3.9167E+00  5.7891E+00 -2.4482E+01
  6.3411E+02 -1.0540E+03 -4.9845E+02
HC            1800    1.008000    0.040000
  5.3534E+00  8.5561E+00 -1.3510E+01
 -3.5101E+00  6.4887E+00 -8.7855E+00
  2.5894E+03  1.1491E+03 -4.6466E+02
CT            1801   12.011000    0.145000
 -1.6498E+01 -3.9470E+00  1.4655E+01
 -1.6610E-01 -1.7553E+00  2.4329E+00
  3.6192E+02 -8.6145E+02  3.2242E+03
OH            1802    0.000000   -0.683000
 -1.5189E+01 -4.4092E+00  1.4408E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1803    1.008000    0.418000
 -1.4653E+01 -4.3157E+00  1.5181E+01
 -1.6033E+00  8.1269E+00  2.1676E-01
 -9.8685E+02 -1.2545E+03  6.9430E+02
HC            1804    1.008000    0.040000
 -1.6472E+01 -3.0745E+00  1.5308E+01
  1.6437E+00  7.8699E+00 -1.0115E+01
  8.2544E+02  2.1747E+03 -2.8221E+03
HC            1805    1.008000    0.040000
 -1.7117E+01 -4.5921E+00  1.5279E+01
  3.0930E+00 -2.5958E+00  4.8279E+00
  1.3291E+03 -2.6132E+03 -1.1090E+03
HC            1806    1.008000    0.040000
 -1.7054E+01 -3.7574E+00  1.3737E+01
  2.4245E+00  3.1664E+00  1.8464E+00
  5.1607E+02  1.1900E+03  2.4279E+02
CT            1807   12.011000    0.145000
  8.4363E-02  8.5416E+00  6.7391E+00
 -3.4047E+00 -1.7966E+00  9.9698E-01
 -1.8227E+03 -3.4928E+03 -4.0941E+03
OH            1808    0.000000   -0.683000
  8.1601E-01  7.4690E+00  7.2890E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1809    1.008000    0.418000
  6.9980E-01  7.5721E+00  8.2211E+00
  7.5118E-01  5.6820E+00 -4.9922E-01
  2.1974E+03  6.9953E+02  1.7330E+02
HC            1810    1.008000    0.040000
 -9.4933E-01  8.2261E+00  6.8807E+00
 -3.0713E+00 -1.4574E+00  4.2649E+00
 -9.8503E+02  2.1425E+03 -1.2401E+03
HC            1811    1.008000    0.040000
  4.2360E-01  8.5306E+00  5.7033E+00
  1.2529E+01  6.5508E+00  5.7923E+00
 -2.3343E+03  5.0102E+02 -6.0533E+02
HC            1812    1.008000    0.040000
  1.9974E-01  9.5661E+00  7.0930E+00
 -2.0165E+01  3.7976E-01  9.6798E-01
 -8.9926E+02 -2.3486E+03  4.9430E+03
CT            1813   12.011000    0.145000
  1.0156E+01  1.1025E+01  9.7075E+00
  2.6125E+00 -1.7359E+00  1.1584E+00
 -1.9826E+03  2.6141E+03  2.4404E+03
OH            1814    0.000000   -0.683000
  1.1016E+01  1.2081E+01  9.3420E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1815    1.008000    0.418000
  1.0949E+01  1.2638E+01  1.0102E+01
  2.3493E+01 -2.2322E+01  2.0362E+01
  1.1582E+03 -2.9912E+02 -1.6271E+03
HC            1816    1.008000    0.040000
  1.0132E+01  1.0856E+01  1.0784E+01
  1.3353E+01 -1.2363E+01 -5.2935E-02
  4.7058E+03 -2.9761E+03 -1.4181E+02
HC            1817    1.008000    0.040000
  1.0369E+01  1.0163E+01  9.0754E+00
 -2.3057E+01 -2.5881E+00 -7.4829E+00
 -2.7094E+03 -1.0894E+03  2.0197E+03
HC            1818    1.008000    0.040000
  9.1118E+00  1.1336E+01  9.7140E+00
  2.0626E+00 -3.5020E+00  1.0090E+01
 -2.0911E+02 -8.1604E+02 -4.8505E+03
CT            1819   12.011000    0.145000
 -2.2347E+00 -2.4027E+00  8.3383E+00
  4.9541E-01 -3.2367E+00  4.9761E+00
 -5.6541E+03 -1.6538E+03 -2.0412E+03
OH            1820    0.000000   -0.683000
 -2.8777E+00 -1.3776E+00  9.0620E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1821    1.008000    0.418000
 -2.2774E+00 -6.5164E-01  9.1367E+00
 -1.7232E+01  1.5530E+01 -4.8981E+00
 -1.9371E+03  8.9856E+02  1.2868E+03
HC            1822    1.008000    0.040000
 -2.2119E+00 -2.0245E+00  7.3162E+00
  3.3733E+01 -3.8381E+00  4.4149E+00
  6.0358E+03 -5.5807E+02  1.4482E+02
HC            1823    1.008000    0.040000
 -2.9738E+00 -3.1931E+00  8.2079E+00
 -1.2068E+01  9.1852E+00 -1.8640E+00
  1.0709E+03 -1.2338E+03  2.1059E+03
HC            1824    1.008000    0.040000
 -1.2664E+00 -2.7330E+00  8.7144E+00
  2.7049E+01  1.4220E+01 -3.9995E+01
 -1.0044E+03  1.6925E+03 -3.5827E+03
CT            1825   12.011000    0.145000
  4.6125E+00  1.1633E+01  1.5833E+01
  1.8402E+00  5.6482E-01 -4.0809E-01
  5.7596E+03 -1.1406E+03 -4.4865E+02
OH            1826    0.000000   -0.683000
  4.7938E+00  1.2008E+01  1.7180E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1827    1.008000    0.418000
  4.1032E+00  1.1559E+01  1.7643E+01
  4.5695E+00 -1.4585E+01 -6.7423E+00
  7.0315E+02 -3.1691E+03 -2.1485E+03
HC            1828    1.008000    0.040000
  5.5629E+00  1.1861E+01  1.5351E+01
  7.4618E+00  1.3316E+01  1.5778E+01
 -2.7933E+02  1.1430E+03 -8.0390E+01
HC            1829    1.008000    0.040000
  3.8560E+00  1.2130E+01  1.5226E+01
  8.1861E+00  2.2882E+00 -7.0483E+00
 -1.0593E+03 -9.8798E+00  2.2910E+03
HC            1830    1.008000    0.040000
  4.5328E+00  1.0553E+01  1.5707E+01
 -8.7065E+00  1.5179E+00 -2.8469E+00
 -1.8054E+03  5.4688E+00  8.8891E+02
CT            1831   12.011000    0.145000
  1.2486E+01 -1.1155E+01 -1.8578E+01
  3.3741E+00  1.5438E+00  7.7551E+00
 -2.9862E+03 -4.3056E+03  3.0803E+03
OH            1832    0.000000   -0.683000
  1.1369E+01 -1.0355E+01 -1.8261E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1833    1.008000    0.418000
  1.0851E+01 -1.0971E+01 -1.7765E+01
  1.8430E+00 -1.8097E+01 -1.9164E+01
 -9.2378E+01  1.3247E+03 -6.2128E+01
HC            1834    1.008000    0.040000
  1.3203E+01 -1.0587E+01 -1.9170E+01
  5.4837E+00 -1.0754E+01 -1.9046E+00
  1.8043E+03 -2.5808E+03  9.0225E+02
HC            1835    1.008000    0.040000
  1.2163E+01 -1.2078E+01 -1.9059E+01
 -1.5439E+01  1.6975E+01 -1.1191E+01
 -1.6358E+02  2.2802E+03 -3.7310E+03
HC            1836    1.008000    0.040000
  1.2762E+01 -1.1573E+01 -1.7609E+01
 -2.6324E+00  1.3072E+01  1.4661E+01
  4.5963E+03  3.1452E+03  1.3501E+02
CT            1837   12.011000    0.145000
  1.3467E+01 -1.6221E+00  1.3337E+00
 -4.8454E+00  5.4356E+00  4.5551E-01
 -5.4097E+03  2.9971E+03 -6.2018E+02
OH            1838    0.000000   -0.683000
  1.3712E+01 -1.3003E+00 -1.7044E-02
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1839    1.008000    0.418000
  1.3326E+01 -5.0387E-01 -3.4807E-01
 -1.3425E+01  7.4717E+00  3.0174E+01
 -4.7449E+03  3.1217E+02  6.8875E+03
HC            1840    1.008000    0.040000
  1.2404E+01 -1.8181E+00  1.4749E+00
 -8.5481E+00  2.0133E+01 -5.1597E+00
 -4.1625E+02  1.0063E+03 -2.5129E+02
HC            1841    1.008000    0.040000
  1.3683E+01 -7.1177E-01  1.8930E+00
 -1.7716E+01  2.1195E+01 -1.8819E+01
  1.7156E+03 -2.1296E+03  9.2665E+02
HC            1842    1.008000    0.040000
  1.3966E+01 -2.5615E+00  1.5717E+00
 -6.2267E+00  4.0414E+00 -2.1088E+00
  1.6378E+03  1.8464E+03  1.5786E+03
CT            1843   12.011000    0.145000
 -1.6138E+01  1.5723E+01  5.6158E+00
 -1.3108E+00  4.4756E+00  8.5430E+00
 -4.2462E+01 -6.5568E+02  5.9900E+02
OH            1844    0.000000   -0.683000
 -1.6653E+01  1.4526E+01  6.1530E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1845    1.008000    0.418000
 -1.6382E+01  1.3805E+01  5.6048E+00
 -3.3294E+00 -4.8167E+00  4.5816E+00
 -1.0606E+03 -4.4888E+02  1.2591E+02
HC            1846    1.008000    0.040000
 -1.6243E+01  1.6539E+01  6.3309E+00
  6.5494E+00  1.9653E+01 -6.8665E+00
  1.0390E+03  6.2559E+02 -1.1217E+03
HC            1847    1.008000    0.040000
 -1.6676E+01  1.5951E+01  4.6957E+00
  2.7173E+00 -8.5616E+00  2.7256E+00
  9.4226E+02  2.5975E+02 -1.8703E+02
HC            1848    1.008000    0.040000
 -1.5103E+01  1.5485E+01  5.3697E+00
 -7.6895E+00 -5.3123E+00 -1.0890E+01
 -7.3035E+01  2.4573E+03 -2.0815E+02
CT            1849   12.011000    0.145000
 -1.7002E+01 -2.0269E+01 -7.2832E-02
 -2.9288E+00  3.9789E-01  3.1098E+00
  7.1698E+02 -5.5651E+02 -4.9120E+03
OH            1850    0.000000   -0.683000
 -1.7044E+01 -1.8878E+01 -2.9688E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1851    1.008000    0.418000
 -1.6791E+01 -1.8562E+01  5.5691E-01
 -2.8458E+00 -2.5946E+01  1.1401E+01
  8.9329E+02  1.2125E+03 -1.9489E+03
HC            1852    1.008000    0.040000
 -1.7328E+01  2.0400E+01  9.4112E-01
  7.2051E+00  7.9991E+00  8.2900E+00
  1.8958E+03 -1.3349E+03 -2.7349E+02
HC            1853    1.008000    0.040000
 -1.5971E+01  2.0407E+01 -3.4586E-01
 -1.6710E+00  2.3891E+01 -1.4602E+01
 -5.6505E+02 -1.6895E+03  3.5028E+03
HC            1854    1.008000    0.040000
 -1.7568E+01  2.0092E+01 -8.3236E-01
 -8.3296E+00  2.8941E+01 -1.4649E+01
 -9.4001E+02  1.5433E+03  5.8020E+02
CT            1855   12.011000    0.145000
  1.8140E+01  6.1182E+00  1.4850E+00
 -4.5559E-01 -3.9899E+00 -2.5684E-01
 -2.6588E+03 -1.3835E+03  3.0982E+03
OH            1856    0.000000   -0.683000
  1.9213E+01  5.9420E+00  2.3830E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1857    1.008000    0.418000
  1.9961E+01  5.8937E+00  1.8067E+00
  3.9928E+00  6.2634E+00  4.5208E+00
  5.0175E+02 -2.5166E+03  1.0814E+03
HC            1858    1.008000    0.040000
  1.8357E+01  7.0094E+00  8.9593E-01
  2.3932E+01 -5.0436E+00  6.0372E+00
 -1.0328E+02 -2.2789E+03 -1.7980E+03
HC            1859    1.008000    0.040000
  1.7208E+01  6.2477E+00  2.0338E+00
 -5.0724E-01 -1.0276E+01  1.2140E+00
 -6.1326E+01  4.8876E+02  2.8692E+02
HC            1860    1.008000    0.040000
  1.7995E+01  5.1772E+00  9.5457E-01
 -2.8150E+01  1.2150E+01 -2.4335E+01
 -1.8797E+02  3.1020E+03 -3.3590E+03
CT            1861   12.011000    0.145000
  4.8299E+00 -1.9225E+01  1.4131E+01
  1.4023E+00 -2.7833E-01 -4.5376E+00
  3.4777E+03 -4.2182E+02 -8.8179E+03
OH            1862    0.000000   -0.683000
  4.8078E+00 -1.7817E+01  1.4042E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1863    1.008000    0.418000
  4.8280E+00 -1.7693E+01  1.4979E+01
  1.1995E+01 -2.2089E+01  3.3746E+00
  1.0684E+03  4.3366E+03 -1.7211E+03
HC            1864    1.008000    0.040000
  5.8652E+00 -1.9565E+01  1.4155E+01
 -1.3158E+00 -9.1591E+00 -8.7230E+00
 -2.7136E+02 -1.0421E+03  2.8988E+03
HC            1865    1.008000    0.040000
  4.5802E+00 -1.9473E+01  1.3099E+01
  3.9150E+00 -1.5945E+01 -1.6276E+00
 -2.5179E+03 -3.5013E+03  8.7059E+02
HC            1866    1.008000    0.040000
  4.1395E+00 -1.9671E+01  1.4846E+01
 -1.9365E+01  7.7941E+00 -1.8566E+01
  4.8446E+02  6.3076E+02 -1.0821E+03
CT            1867   12.011000    0.145000
 -5.1970E+00  1.0401E+01 -1.9151E+01
 -8.1038E-01  2.9413E-01 -1.9191E+00
 -1.0915E+03  2.3293E+03 -1.3857E+03
OH            1868    0.000000   -0.683000
 -3.9153E+00  1.0727E+01 -1.9640E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1869    1.008000    0.418000
 -3.3947E+00  1.0306E+01 -1.8973E+01
  4.5199E+00 -6.1972E+00 -7.2698E+00
  5.7150E+03  3.9510E+03 -2.1903E+03
HC            1870    1.008000    0.040000
 -5.8961E+00  1.0283E+01 -1.9979E+01
 -7.9568E+00 -1.4436E+01  5.8152E+00
 -6.8153E+02 -2.7903E+02  7.6457E+02
HC            1871    1.008000    0.040000
 -5.5206E+00  1.1256E+01 -1.8557E+01
  3.8580E+00  1.6441E+01 -2.1505E+01
  8.3354E+02  4.6019E+01 -4.7133E+02
HC            1872    1.008000    0.040000
 -5.1823E+00  9.5075E+00 -1.8527E+01
  2.7649E+01 -1.9167E+00 -4.4360E+00
  7.3779E+02 -6.3958E+01 -1.6625E+03
CT            1873   12.011000    0.145000
 -1.5186E+01 -1.3621E+01 -1.7700E+01
 -1.3097E+00 -3.8376E-01 -5.5190E+00
  2.8306E+03  1.4820E+03 -1.2815E+03
OH            1874    0.000000   -0.683000
 -1.5717E+01 -1.2315E+01 -1.7659E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1875    1.008000    0.418000
 -1.5454E+01 -1.1875E+01 -1.6865E+01
 -1.3233E+01  6.3928E+00  1.1150E+00
 -4.0194E+02  2.4048E+02 -2.4329E+02
HC            1876    1.008000    0.040000
 -1.5371E+01 -1.4170E+01 -1.8623E+01
 -1.6389E+01 -4.4866E+01  2.0827E+01
 -8.7191E+02 -5.4921E+02  3.1352E+03
HC            1877    1.008000    0.040000
 -1.5559E+01 -1.4192E+01 -1.6849E+01
  1.2377E+00 -1.2742E+01 -1.2450E+01
  2.3968E+02 -1.6275E+03 -1.3947E+03
HC            1878    1.008000    0.040000
 -1.4118E+01 -1.3428E+01 -1.7604E+01
 -2.3354E+00  6.9980E+00 -8.2957E+00
  4.2798E+02 -1.9713E+03  5.0272E+02
CT            1879   12.011000    0.145000
  7.2034E+00  1.7544E+01 -7.9945E+00
 -7.5021E-01  2.5653E+00  2.6927E-01
  7.3491E+02 -1.4604E+03  3.1309E+02
OH            1880    0.000000   -0.683000
  8.4170E+00  1.7958E+01 -8.5810E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1881    1.008000    0.418000
  8.3824E+00  1.8038E+01 -9.5220E+00
  2.0341E+00 -9.9433E+00 -1.0306E+00
 -2.6506E+03 -1.6911E+03  3.7848E+01
HC            1882    1.008000    0.040000
  6.3372E+00  1.8129E+01 -8.3036E+00
 -4.9037E+00 -1.3722E+00  4.2956E+00
 -3.3782E+02 -1.6794E+03 -1.6230E+03
HC            1883    1.008000    0.040000
  7.2245E+00  1.7633E+01 -6.9084E+00
 -1.3539E+01 -8.0471E+00  1.6448E+00
  4.2900E+02 -9.6084E+02 -1.5722E+02
HC            1884    1.008000    0.040000
  7.2322E+00  1.6502E+01 -8.3147E+00
  4.2731E+00  9.8552E+00 -2.5278E+01
 -4.4139E+03  4.1323E+02  7.8556E+02
CT            1885   12.011000    0.145000
  5.3103E+00  6.9555E+00  1.9458E+01
  1.8509E+00 -5.3870E-01  1.3561E+00
  1.1143E+03  1.4327E+02 -7.1903E+02
OH            1886    0.000000   -0.683000
  5.2483E+00  5.6206E+00  1.9008E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1887    1.008000    0.418000
  4.8888E+00  5.0034E+00  1.9627E+01
 -9.9116E+00  1.2564E+01  7.2745E+00
 -1.0759E+03  3.6378E+03  2.9291E+03
HC            1888    1.008000    0.040000
  6.1046E+00  7.3569E+00  1.8829E+01
  8.1626E+00 -1.3890E+01  4.5896E-01
 -1.4027E+03  1.6030E+03 -3.7492E+02
HC            1889    1.008000    0.040000
  5.6607E+00  7.1050E+00 -2.0421E+01
 -8.1702E+00 -8.0720E+00  6.0740E+00
 -1.7870E+03 -1.1122E+03  6.8291E+02
HC            1890    1.008000    0.040000
  4.3432E+00  7.4066E+00  1.9236E+01
 -4.3762E-01 -6.5906E+00 -1.1897E+00
  4.6257E+02  1.3416E+03  1.5248E+03
CT            1891   12.011000    0.145000
 -1.6395E+01  2.1043E+00  1.9573E+01
  2.5792E+00  2.4655E+00  4.2652E+00
  4.2755E+03 -1.0331E+03 -2.8502E+03
OH            1892    0.000000   -0.683000
 -1.6459E+01  3.3373E+00  1.8892E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1893    1.008000    0.418000
 -1.5749E+01  3.8701E+00  1.9216E+01
  2.5233E-01 -1.2296E+01  2.1555E+01
 -2.1547E+03  5.8492E+02  2.2962E+03
HC            1894    1.008000    0.040000
 -1.5341E+01  1.8371E+00  1.9658E+01
  5.5159E+00  9.0035E+00 -8.9357E+00
  1.7126E+02  6.2940E+02  1.0229E+03
HC            1895    1.008000    0.040000
 -1.6749E+01  1.3682E+00  1.8851E+01
 -7.1113E+00  2.5269E+00  8.8005E+00
 -2.4004E+03 -7.9531E+02  1.8320E+03
HC            1896    1.008000    0.040000
 -1.6898E+01  1.9631E+00 -2.0371E+01
 -1.0480E+01 -2.5942E+01 -5.6656E+00
 -4.4283E+02  1.1143E+03 -1.6650E+03
CT            1897   12.011000    0.145000
 -1.5574E+01  7.3843E+00  1.2327E+01
 -2.1672E+00  2.7995E-02  5.0474E+00
 -3.4625E+03  3.6941E+03  2.2535E+03
OH            1898    0.000000   -0.683000
 -1.6706E+01  6.7001E+00  1.1839E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1899    1.008000    0.418000
 -1.7059E+01  6.2163E+00  1.2570E+01
  4.3540E+00  2.3949E+01  1.9256E+01
  2.6639E+03 -1.6242E+03 -1.4527E+03
HC            1900    1.008000    0.040000
 -1.4738E+01  6.8219E+00  1.2743E+01
  6.6373E+00  1.7523E+00 -9.6282E+00
 -1.0316E+02 -1.1670E+03 -2.5713E+03
HC            1901    1.008000    0.040000
 -1.5902E+01  7.9994E+00  1.3165E+01
  1.3005E-02  7.9851E+00  1.6998E-01
 -3.4757E+02  9.0690E+02 -3.4873E+02
HC            1902    1.008000    0.040000
 -1.5308E+01  8.0279E+00  1.1489E+01
  3.1045E-01 -2.6375E+01 -1.5787E+01
  2.6447E+03 -1.0213E+03  1.4146E+03
CT            1903   12.011000    0.145000
 -6.5133E+00 -1.2533E+01  1.8284E+00
 -1.0532E+00  8.4802E-01 -9.4931E-01
 -4.2925E+03  6.3767E+01 -1.1527E+02
OH            1904    0.000000   -0.683000
 -6.5273E+00 -1.1491E+01  2.7778E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1905    1.008000    0.418000
 -7.3340E+00 -1.1602E+01  3.2574E+00
  8.9066E-01 -1.6430E+01 -1.7339E+00
  2.3705E+02  9.9655E+02 -8.3459E+01
HC            1906    1.008000    0.040000
 -7.0368E+00 -1.2259E+01  9.1240E-01
  5.8488E+00 -1.4435E+01 -9.8581E+00
  4.8843E+02  4.7726E+02  5.3573E+01
HC            1907    1.008000    0.040000
 -7.1293E+00 -1.3321E+01  2.2621E+00
  1.1303E+01 -1.0387E+01 -3.1471E+00
  1.7680E+03 -1.7520E+03 -4.3983E+02
HC            1908    1.008000    0.040000
 -5.5435E+00 -1.2941E+01  1.5436E+00
 -2.2444E-01 -5.7447E+00  1.0686E+01
  2.0596E+02  6.6452E+02  1.4459E+03
CT            1909   12.011000    0.145000
 -7.4154E+00 -1.8455E+01  1.4447E+01
  2.7572E+00  1.0740E-01  3.3287E+00
 -2.4455E+03 -7.8905E+02 -3.2762E+03
OH            1910    0.000000   -0.683000
 -8.3183E+00 -1.9220E+01  1.5214E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1911    1.008000    0.418000
 -7.8292E+00 -1.9359E+01  1.6010E+01
 -1.3137E+00 -1.2364E+01 -1.1588E+00
 -3.2895E+03 -6.4702E+02  1.7261E+03
HC            1912    1.008000    0.040000
 -6.4659E+00 -1.8990E+01  1.4469E+01
 -5.8456E+00 -1.7989E+01 -2.0630E+01
  1.0964E+02  2.5457E+03 -1.1234E+03
HC            1913    1.008000    0.040000
 -7.4570E+00 -1.7422E+01  1.4793E+01
  1.2131E+01  5.9736E+00 -1.1991E+01
  2.7109E+03 -1.3008E+02 -4.7476E+02
HC            1914    1.008000    0.040000
 -7.8715E+00 -1.8541E+01  1.3460E+01
 -8.6883E+00 -7.3978E+00  9.0545E+00
  2.2285E+03  1.4363E+03 -1.1109E+03
CT            1915   12.011000    0.145000
  1.2172E+01 -1.3254E+01 -1.3626E+01
 -1.0035E+01 -4.9077E+00  1.0109E+00
  5.0793E+03  1.8139E+03 -1.6991E+03
OH            1916    0.000000   -0.683000
  1.2065E+01 -1.3298E+01 -1.5031E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1917    1.008000    0.418000
  1.2747E+01 -1.3900E+01 -1.5286E+01
  3.5560E+00 -2.9269E+00  1.5375E+01
 -9.7475E+01  3.2975E+02  4.7468E-01
HC            1918    1.008000    0.040000
  1.1417E+01 -1.2672E+01 -1.3097E+01
 -8.2958E+00  6.9628E+00 -9.0886E+00
 -4.7441E+02 -3.6819E+02 -1.3043E+03
HC            1919    1.008000    0.040000
  1.3131E+01 -1.2764E+01 -1.3457E+01
 -7.5623E+00 -7.1644E+00 -6.1251E+00
 -7.1210E+02  2.2703E+03 -3.9377E+02
HC            1920    1.008000    0.040000
  1.2461E+01 -1.4168E+01 -1.3107E+01
 -2.4867E+00 -7.4285E+00 -7.3777E+00
 -3.3786E+03 -1.8211E+03 -1.9141E+03
CT            1921   12.011000    0.145000
 -1.0005E+01  1.3955E+01  1.4762E+01
 -1.6722E+00 -1.9964E+00  4.6405E+00
  5.3008E+03  2.7901E+03  1.7505E+03
OH            1922    0.000000   -0.683000
 -1.0666E+01  1.5169E+01  1.5040E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1923    1.008000    0.418000
 -1.0013E+01  1.5846E+01  1.4954E+01
  2.8913E+01 -2.7745E+01 -2.4741E+01
  1.2726E+03 -3.7678E+03  1.2562E+03
HC            1924    1.008000    0.040000
 -9.2443E+00  1.3737E+01  1.5512E+01
  1.0574E+01  1.4954E+01 -2.2213E+00
 -1.9187E+03  1.7507E+02  1.6421E+03
HC            1925    1.008000    0.040000
 -9.2809E+00  1.4120E+01  1.3964E+01
  5.2878E+00 -2.9727E+01  4.1717E+00
 -2.5986E+03 -1.7874E+03 -2.1371E+03
HC            1926    1.008000    0.040000
 -1.0546E+01  1.3028E+01  1.4570E+01
  2.9086E+01 -1.8418E+01 -1.0284E+01
  2.4412E+01  2.3842E+03 -6.9775E+02
CT            1927   12.011000    0.145000
  3.5697E+00  1.9248E+01 -2.8662E+00
  1.3550E+00 -3.1259E+00  2.0276E+00
 -1.9064E+03  3.0491E+03 -2.7610E+03
OH            1928    0.000000   -0.683000
  2.3121E+00  1.9112E+01 -2.2433E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1929    1.008000    0.418000
  2.6567E+00  1.8813E+01 -1.4155E+00
  1.0078E+01  1.3752E+01  1.1125E+00
 -4.2014E+03  1.7616E+03  1.8927E+03
HC            1930    1.008000    0.040000
  3.6288E+00  1.8840E+01 -3.8754E+00
 -4.4182E+00  9.7712E+00 -3.7521E+00
 -1.2141E+03 -1.0599E+03  5.3843E+02
HC            1931    1.008000    0.040000
  4.4625E+00  1.8923E+01 -2.3319E+00
  6.8087E+00 -1.3932E+01 -1.2960E+01
 -1.7991E+03 -6.5364E+02  1.0928E+03
HC            1932    1.008000    0.040000
  3.6772E+00  2.0322E+01 -3.0130E+00
 -4.5211E+00  7.4326E-01  2.2783E+01
 -1.6883E+02  9.4587E+01  1.1430E+03
CT            1933   12.011000    0.145000
 -1.0572E+00 -1.0189E+01  1.8928E+01
  1.7534E+00 -1.7212E+00 -2.3444E+00
  6.3334E+03 -1.8234E+03 -4.4556E+02
OH            1934    0.000000   -0.683000
 -7.4049E-01 -8.9770E+00  1.8281E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1935    1.008000    0.418000
 -1.7386E-01 -9.1529E+00  1.7545E+01
 -1.4886E+01 -1.5740E+00 -1.1579E+01
 -1.9313E+03 -2.1464E+03 -6.7797E+02
HC            1936    1.008000    0.040000
 -7.1023E-02 -1.0629E+01  1.9077E+01
 -2.0865E+00 -1.6097E+01 -1.6565E+01
 -6.3380E+02 -2.0070E+03  6.7349E+01
HC            1937    1.008000    0.040000
 -1.5671E+00 -1.0842E+01  1.8220E+01
  2.9843E+00 -1.2450E+01  6.3865E+00
 -1.9964E+03 -9.2007E+02  2.6423E+03
HC            1938    1.008000    0.040000
 -1.4920E+00 -1.0069E+01  1.9921E+01
 -1.1940E+01 -6.8494E+00 -7.4832E+00
 -2.9805E+03 -5.5985E+02 -1.5669E+03
CT            1939   12.011000    0.145000
 -7.7754E+00 -1.1421E+01  1.6457E+01
 -1.4184E+00  2.1713E+00  2.6330E+00
  1.6732E+03  4.0276E+02 -1.4003E+03
OH            1940    0.000000   -0.683000
 -6.7968E+00 -1.1884E+01  1.7360E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1941    1.008000    0.418000
 -6.6072E+00 -1.1190E+01  1.7973E+01
 -3.1050E+01 -5.7510E+00  1.8299E+01
 -1.5495E+03 -1.0526E+03 -2.0090E+02
HC            1942    1.008000    0.040000
 -8.3889E+00 -1.0773E+01  1.7083E+01
 -4.6323E+00  3.3785E+00 -1.7163E+00
 -3.2642E+03 -6.1016E+02 -2.7586E+03
HC            1943    1.008000    0.040000
 -8.3065E+00 -1.2263E+01  1.6013E+01
 -1.3184E+01 -1.0798E+00  2.1728E+01
 -1.5649E+03  4.1457E+02  1.8846E+03
HC            1944    1.008000    0.040000
 -7.3657E+00 -1.0822E+01  1.5644E+01
 -7.0100E+00  2.3650E+01  1.4853E+01
  5.6372E+02  1.1524E+03  1.5207E+03
CT            1945   12.011000    0.145000
  1.2855E+00 -4.6043E+00 -3.9002E+00
  1.6922E-01 -1.7594E+00  1.6222E+00
  2.5383E+02 -2.4815E+03  2.6566E+03
OH            1946    0.000000   -0.683000
 -1.1268E-01 -4.5701E+00 -3.7209E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1947    1.008000    0.418000
 -2.3930E-01 -4.5671E+00 -2.7845E+00
  1.2051E+01  3.0957E+01  2.7159E+00
  2.2646E+03 -9.4316E+02 -9.1929E+02
HC            1948    1.008000    0.040000
  1.7818E+00 -4.8184E+00 -2.9537E+00
  6.7187E+00 -4.1709E+00 -2.2903E+00
  7.5610E+02 -1.8287E+02 -1.9926E+02
HC            1949    1.008000    0.040000
  1.5850E+00 -3.6333E+00 -4.2947E+00
 -2.2367E+01  6.5496E+00  3.4870E+00
  2.2297E+03 -1.9192E+03 -1.3294E+02
HC            1950    1.008000    0.040000
  1.3419E+00 -5.4761E+00 -4.5520E+00
 -5.7405E+00 -6.6544E+00  7.5150E+00
  4.8577E+03  1.2572E+03 -8.3502E+02
CT            1951   12.011000    0.145000
 -1.8795E+01  2.0356E+01  1.1996E+01
  2.0440E+00 -2.6730E+00 -9.1140E-02
 -8.1075E+02  7.4026E+02  1.0920E+03
OH            1952    0.000000   -0.683000
 -1.9915E+01  1.9508E+01  1.1878E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1953    1.008000    0.418000
 -1.9769E+01  1.9147E+01  1.1017E+01
  7.3885E+00 -7.0915E-01  1.4885E+00
  6.8497E+02 -1.1183E+03  6.2608E+02
HC            1954    1.008000    0.040000
 -1.8494E+01 -1.9985E+01  1.1110E+01
  1.9073E+01 -8.9947E+00  1.3398E+00
 -5.1686E+02 -1.5888E+03 -7.2432E+02
HC            1955    1.008000    0.040000
 -1.7969E+01  1.9719E+01  1.2312E+01
  1.6269E+01  2.4213E+01  2.1263E+01
  8.8525E+02  3.3854E+03  1.4833E+03
HC            1956    1.008000    0.040000
 -1.9164E+01 -1.9811E+01  1.2714E+01
 -3.7625E+00 -6.2865E+00  6.7747E-01
  3.4609E+03 -6.0340E+02  2.3752E+03
CT            1957   12.011000    0.145000
 -8.6787E+00 -1.8181E+01 -7.9636E+00
  3.1478E+00 -1.0696E-01 -8.2915E-01
 -4.6226E+03 -3.9331E+02  1.2015E+03
OH            1958    0.000000   -0.683000
 -8.3462E+00 -1.8543E+01 -6.6419E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1959    1.008000    0.418000
 -8.8808E+00 -1.9294E+01 -6.4337E+00
 -2.8965E+01  1.6481E+01 -9.1901E+00
  2.3524E+03 -1.0137E+03 -4.4915E+03
HC            1960    1.008000    0.040000
 -7.8243E+00 -1.8044E+01 -8.6264E+00
 -2.0146E+00  2.2000E+00 -7.1161E+00
 -2.9500E+02  2.3962E+03  8.4755E+02
HC            1961    1.008000    0.040000
 -9.3578E+00 -1.7329E+01 -7.9537E+00
 -4.8044E+00 -6.1919E+00 -7.5346E+00
  2.1237E+03  1.6523E+03 -3.6321E+02
HC            1962    1.008000    0.040000
 -9.3937E+00 -1.8864E+01 -8.4232E+00
 -1.1728E+01  1.6759E+01 -3.8532E+00
  2.0703E+03 -1.4417E+03  5.5971E+01
CT            1963   12.011000    0.145000
  1.4644E+01 -1.9035E+01 -1.6849E+01
 -3.1103E+00 -1.5861E+00  1.5852E+00
  1.2628E+03 -1.4861E+03 -2.9316E+03
OH            1964    0.000000   -0.683000
  1.5470E+01 -1.9913E+01 -1.6118E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1965    1.008000    0.418000
  1.5875E+01 -1.9286E+01 -1.5539E+01
 -2.0961E+01  5.3063E+00  9.9222E+00
  1.1351E+03 -2.3779E+03  5.5877E+02
HC            1966    1.008000    0.040000
  1.5191E+01 -1.8635E+01 -1.7703E+01
 -1.9230E+01  7.6379E+00 -4.8797E+00
  7.9879E+01  3.0220E+02  3.9416E+02
HC            1967    1.008000    0.040000
  1.4370E+01 -1.8149E+01 -1.6276E+01
  1.3874E+01  6.5657E+00 -2.2538E+00
 -9.4407E+02 -1.6760E+03  7.4426E+02
HC            1968    1.008000    0.040000
  1.3798E+01 -1.9575E+01 -1.7276E+01
 -1.0616E+00 -1.5560E+01  1.4363E+01
 -3.6651E+02  2.9383E+02  9.4832E+02
CT            1969   12.011000    0.145000
  1.1402E+01 -4.2514E+00 -2.2968E+00
 -3.2875E-01  3.8943E+00 -8.6833E-01
  7.5302E+02  2.0975E+03 -2.7145E+03
OH            1970    0.000000   -0.683000
  1.0145E+01 -4.4937E+00 -2.8889E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1971    1.008000    0.418000
  9.6756E+00 -3.6753E+00 -2.9396E+00
 -6.1514E+00 -3.2912E+00  2.7412E+00
  3.1309E+03  1.5648E+03 -1.8757E+02
HC            1972    1.008000    0.040000
  1.1373E+01 -3.6345E+00 -1.3987E+00
 -8.9318E+00  5.8944E-01  1.2263E+00
 -1.7983E+03  1.6553E+01 -2.1193E+02
HC            1973    1.008000    0.040000
  1.2021E+01 -3.7181E+00 -3.0185E+00
  8.2342E-01  2.6731E+00 -7.8693E-01
 -5.5380E+02  9.3632E+02 -1.7924E+02
HC            1974    1.008000    0.040000
  1.2027E+01 -5.1131E+00 -2.0617E+00
 -7.0978E+00 -3.0115E+00 -7.5952E+00
 -2.5095E+03 -1.7685E+03 -6.2970E+02
CT            1975   12.011000    0.145000
 -1.1558E+01 -1.9913E+01  1.3492E+01
  3.9140E-02 -1.6067E+00  3.3902E+00
 -7.8865E+02 -4.1568E+03 -1.1744E+03
OH            1976    0.000000   -0.683000
 -1.0180E+01 -2.0173E+01  1.3349E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1977    1.008000    0.418000
 -9.7563E+00 -1.9820E+01  1.4116E+01
 -9.3402E+00  7.6110E+00  1.8478E+00
  1.6344E+03  9.4731E+00 -1.2023E+03
HC            1978    1.008000    0.040000
 -1.1957E+01 -1.8901E+01  1.3569E+01
 -7.9920E-01 -1.3530E+00 -3.6415E+00
  2.2788E+03  2.3701E+02  2.3776E+03
HC            1979    1.008000    0.040000
 -1.1768E+01  2.0284E+01  1.4298E+01
  1.6851E+01 -1.2180E+01 -9.4832E-01
 -3.4477E+03  2.1956E+03  2.5743E+02
HC            1980    1.008000    0.040000
 -1.1945E+01 -2.0277E+01  1.2540E+01
  1.3768E+01  9.5827E-01 -3.4198E+00
 -2.3374E+03  5.3657E+02  9.0600E+02
CT            1981   12.011000    0.145000
  1.6125E+01  1.0506E+01  1.4831E+01
  1.9650E+00 -4.6867E+00 -1.8789E+00
 -1.3973E+03 -2.1557E+03 -2.3846E+03
OH            1982    0.000000   -0.683000
  1.5356E+01  9.8079E+00  1.5785E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1983    1.008000    0.418000
  1.6044E+01  9.3137E+00  1.6203E+01
  1.5991E-01  6.9310E+00  8.1993E+00
 -1.5791E+03 -1.0668E+03  1.0457E+03
HC            1984    1.008000    0.040000
  1.6877E+01  9.8772E+00  1.4356E+01
  1.8664E+01 -1.7603E+01  3.7415E+01
 -2.0629E+03 -8.6266E+02  1.5053E+03
HC            1985    1.008000    0.040000
  1.6735E+01  1.1318E+01  1.5228E+01
 -7.0910E+00  5.1667E+00 -7.5947E+00
 -2.1720E+03  8.7568E+02  4.8371E+02
HC            1986    1.008000    0.040000
  1.5387E+01  1.0868E+01  1.4115E+01
 -6.3131E+00  8.5942E+00  1.2708E+01
  1.1951E+03  1.8759E+03  3.5013E+01
CT            1987   12.011000    0.145000
  8.4255E+00  1.1908E+01 -1.0157E+01
 -2.0920E+00 -3.2608E-01  3.0456E+00
  1.9272E+03 -2.3050E+03  1.3355E+03
OH            1988    0.000000   -0.683000
  7.6965E+00  1.0870E+01 -1.0774E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1989    1.008000    0.418000
  7.4932E+00  1.1257E+01 -1.1611E+01
  1.0559E+01 -1.3766E+01 -9.3860E+00
  2.9274E+03 -3.9675E+03 -2.5239E+03
HC            1990    1.008000    0.040000
  8.8215E+00  1.1662E+01 -9.1718E+00
  7.2080E+00 -3.5265E+01 -7.9531E+00
 -2.9828E+03 -3.2478E+03 -5.4232E+02
HC            1991    1.008000    0.040000
  7.9018E+00  1.2853E+01 -1.0014E+01
  1.6194E+01  6.7654E+00  3.1513E+01
  6.3892E+02 -1.1539E+03 -1.4812E+03
HC            1992    1.008000    0.040000
  9.3603E+00  1.2056E+01 -1.0698E+01
 -2.0611E+01  1.1400E+01 -2.8486E+01
 -2.3964E+03  1.2887E+03 -2.1010E+03
CT            1993   12.011000    0.145000
  1.7621E+01 -4.0293E-01 -1.1114E+01
  4.3086E+00 -2.6252E+00 -1.1664E+00
 -6.4042E+02  3.3470E+03  1.9337E+03
OH            1994    0.000000   -0.683000
  1.7797E+01  4.0416E-01 -1.2256E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1995    1.008000    0.418000
  1.8716E+01  3.9930E-01 -1.2476E+01
 -2.4611E+00 -1.7017E+01 -1.1895E+01
 -5.4134E+02 -1.4616E+03 -8.6138E+02
HC            1996    1.008000    0.040000
  1.7243E+01 -1.4250E+00 -1.1095E+01
 -3.6518E+00  3.3507E-01  8.7329E+00
  5.6161E+01  6.1321E+02 -6.1263E+03
HC            1997    1.008000    0.040000
  1.6861E+01  2.2054E-02 -1.0458E+01
 -4.5241E+00 -1.6458E+01 -2.0235E+00
 -7.1677E+02  1.4517E+03 -1.8496E+03
HC            1998    1.008000    0.040000
  1.8396E+01 -5.0225E-01 -1.0354E+01
 -7.3911E+00  7.1915E+00  1.2605E+01
  2.7378E+03  2.9293E+03 -3.2508E+03
CT            1999   12.011000    0.145000
 -7.7214E+00  1.9269E+01  2.0034E+01
  9.8348E+00  4.3652E-01 -1.5319E-02
 -8.1997E+03  1.4056E+03  6.4137E+02
OH            2000    0.000000   -0.683000
 -7.7429E+00  1.9581E+01 -1.9491E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2001    1.008000    0.418000
 -7.0747E+00  2.0243E+01 -1.9404E+01
 -4.9110E+00  1.0028E+01 -2.8262E+01
  3.8835E+02 -1.4758E+03 -1.4428E+03
HC            2002    1.008000    0.040000
 -8.1419E+00  2.0187E+01  1.9624E+01
  6.7458E+00  2.8520E+00  8.3370E+00
  2.6256E+03  1.1921E+02 -2.7121E+03
HC            2003    1.008000    0.040000
 -8.5826E+00  1.8616E+01  1.9896E+01
  1.0714E+01  1.9817E+00 -1.4289E+01
  1.5565E+03 -2.2763E+03 -1.5051E+03
HC            2004    1.008000    0.040000
 -6.8348E+00  1.8860E+01  1.9550E+01
  4.3127E+00  7.1928E+00 -1.6567E+01
 -1.7495E+02  1.5914E+03  4.8692E+02
CT            2005   12.011000    0.145000
 -1.3775E+01 -3.8698E+00 -1.6396E+01
 -7.4262E-01 -2.5751E+00  8.2220E-01
 -1.0581E+03  2.0018E+03 -2.4274E+03
OH            2006    0.000000   -0.683000
 -1.2851E+01 -4.4236E+00 -1.7306E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2007    1.008000    0.418000
 -1.2649E+01 -5.2628E+00 -1.6921E+01
 -7.0565E+00  9.6663E+00  2.7068E+01
 -3.3051E+02  1.1169E+03  6.1687E+02
HC            2008    1.008000    0.040000
 -1.3896E+01 -2.8423E+00 -1.6740E+01
 -1.1664E+01 -4.2351E+00 -6.7889E-01
 -9.0533E+01  7.8642E+02  2.0966E+03
HC            2009    1.008000    0.040000
 -1.3363E+01 -3.9195E+00 -1.5388E+01
 -5.2194E+00  6.7588E+00  3.2237E+00
 -1.1843E+03  9.5474E+02  2.1841E+02
HC            2010    1.008000    0.040000
 -1.4778E+01 -4.2872E+00 -1.6482E+01
  4.0258E+00 -1.0371E+01 -2.7466E+01
  1.4283E+03 -1.4896E+03  1.4822E+02
CT            2011   12.011000    0.145000
  3.1434E+00 -1.2727E+01  9.2008E+00
  1.1896E-01 -2.9659E-01 -1.1538E-01
 -7.4269E+01  3.8933E+01  9.0748E+01
OH            2012    0.000000   -0.683000
  2.0261E+00 -1.2843E+01  8.3485E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2013    1.008000    0.418000
  1.7593E+00 -1.3747E+01  8.4165E+00
  8.9354E+00 -2.1055E+00  9.7042E+00
 -1.9289E+03  8.2061E+02 -1.4017E+03
HC            2014    1.008000    0.040000
  2.9621E+00 -1.3073E+01  1.0219E+01
 -2.8091E+01 -6.9390E-01 -4.4748E+00
 -2.2060E+03 -9.8943E+02 -1.2754E+03
HC            2015    1.008000    0.040000
  3.4786E+00 -1.1703E+01  9.3656E+00
 -2.4744E+00  3.1377E-02  3.2322E+00
 -1.2651E+03  6.7137E+02 -1.8223E+03
HC            2016    1.008000    0.040000
  4.0521E+00 -1.3238E+01  8.8817E+00
  1.1799E+01  2.9547E+00  2.5436E+01
 -1.5728E+03 -6.7722E+02 -4.2413E+02
CT            2017   12.011000    0.145000
 -4.4149E+00 -2.0065E+01  1.2279E+01
 -2.7536E+00  3.6835E+00  4.5455E+00
  5.0134E+03  8.5103E+03 -7.4988E+02
OH            2018    0.000000   -0.683000
 -5.3167E+00 -1.9564E+01  1.1317E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2019    1.008000    0.418000
 -4.8712E+00 -1.9110E+01  1.0618E+01
  2.0887E+01 -1.6886E+01  1.3116E+00
  2.0805E+03  1.1550E+03  3.0009E+03
HC            2020    1.008000    0.040000
 -3.8194E+00  1.9951E+01  1.2049E+01
 -1.1967E+01  8.7860E-01 -9.8820E+00
 -2.5436E+03 -5.9864E+02 -2.3614E+03
HC            2021    1.008000    0.040000
 -4.8237E+00 -2.0145E+01  1.3286E+01
  2.6726E+00  5.9799E+00  6.9698E+00
 -8.4305E+02 -6.7277E+02 -7.8097E+02
HC            2022    1.008000    0.040000
 -3.6183E+00 -1.9323E+01  1.2334E+01
 -7.0601E+00  1.1535E+01 -2.3209E+01
 -1.2221E+03  1.3139E+03  2.2225E+02
CT            2023   12.011000    0.145000
 -6.4026E+00  1.3475E+01 -6.6309E+00
  2.2440E+00 -5.0232E+00 -5.0132E+00
 -1.3645E+03 -4.3211E+03 -5.8052E+03
OH            2024    0.000000   -0.683000
 -6.1483E+00  1.4515E+01 -7.5483E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2025    1.008000    0.418000
 -7.0147E+00  1.4644E+01 -7.9030E+00
 -1.4877E+00  1.2225E+01  7.4832E+00
  1.0392E+03  3.9481E+03 -8.7160E+02
HC            2026    1.008000    0.040000
 -7.2750E+00  1.2954E+01 -7.0252E+00
  2.9140E+00 -3.9742E-01 -1.2821E+01
 -1.9475E+02  5.4873E+01 -6.8337E+02
HC            2027    1.008000    0.040000
 -6.6377E+00  1.3689E+01 -5.5883E+00
  1.9790E+01  3.4842E+00 -2.4346E+00
  4.2870E+03  9.0606E+02  1.7386E+02
HC            2028    1.008000    0.040000
 -5.5653E+00  1.2863E+01 -6.9667E+00
  2.7077E+00 -1.1123E+01  6.7331E+00
  1.0988E+03 -3.1805E+03  7.3113E+03
CT            2029   12.011000    0.145000
  1.6393E+01 -7.4317E+00  1.2481E+01
  2.2754E+00 -3.1067E+00  1.5938E+00
 -2.6668E+03  4.0363E+03 -1.5316E+03
OH            2030    0.000000   -0.683000
  1.5437E+01 -7.6021E+00  1.3503E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2031    1.008000    0.418000
  1.5892E+01 -8.3454E+00  1.3867E+01
  2.6333E+01  1.3946E+01 -2.0144E+00
 -3.3556E+03  7.8545E+02  2.3324E+03
HC            2032    1.008000    0.040000
  1.6682E+01 -8.3918E+00  1.2053E+01
 -1.1494E+01 -1.0609E+01  8.4645E+00
  6.3763E+01  4.8326E+02  4.4365E+02
HC            2033    1.008000    0.040000
  1.7247E+01 -6.8093E+00  1.2750E+01
 -3.1715E+00  1.4835E+01 -1.9615E+01
 -4.2864E+02 -1.3538E+03  7.0771E+02
HC            2034    1.008000    0.040000
  1.5911E+01 -6.8036E+00  1.1732E+01
 -7.4150E+00  1.7021E+01  2.3418E+01
 -1.1134E+02 -1.4309E+03 -1.6412E+02
CT            2035   12.011000    0.145000
  1.4517E+01  1.7276E+01  1.6821E+01
  7.4233E+00 -5.2771E-01 -4.5162E+00
  4.9515E+03 -4.0128E+03 -3.5283E+03
OH            2036    0.000000   -0.683000
  1.3775E+01  1.7240E+01  1.5622E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2037    1.008000    0.418000
  1.2905E+01  1.6921E+01  1.5808E+01
  1.8991E+00 -1.2225E+01 -1.0687E+01
  9.7148E+02 -1.6942E+03  5.1261E+02
HC            2038    1.008000    0.040000
  1.5467E+01  1.7785E+01  1.6660E+01
  1.2638E+01  3.7681E+00  3.1521E+01
 -1.7134E+03  1.9563E+03  1.4397E+03
HC            2039    1.008000    0.040000
  1.4915E+01  1.6280E+01  1.7014E+01
  1.2095E+01  1.4196E+00 -3.9565E+00
 -1.7630E+03 -9.3069E+02  7.0498E+02
HC            2040    1.008000    0.040000
  1.4018E+01  1.7631E+01  1.7723E+01
  3.4587E+00  1.2252E+01 -1.1485E+01
 -4.6327E+02  1.5762E+03 -1.6376E+03
CT            2041   12.011000    0.145000
  7.7729E-01  2.0131E-01  1.1373E+01
 -6.4616E+00  3.0931E+00  6.1493E-01
  2.8352E+03 -3.2617E+03  2.5030E+03
OH            2042    0.000000   -0.683000
  1.7981E-01 -9.5638E-01  1.0834E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2043    1.008000    0.418000
  6.3123E-01 -1.6991E+00  1.1205E+01
  1.7332E+01  7.8199E+00 -4.4053E+00
 -1.7690E+03 -3.8706E+01  6.5703E+02
HC            2044    1.008000    0.040000
  4.4577E-01  4.8046E-01  1.2373E+01
 -1.5723E+01 -7.3524E+00  6.5534E-01
 -8.3091E+02 -3.1461E+03  6.0178E+02
HC            2045    1.008000    0.040000
  7.8083E-01  1.1621E+00  1.0858E+01
  8.0090E+00 -4.9770E+00 -1.5376E+01
 -1.1860E+03 -2.9705E+03 -4.2445E+03
HC            2046    1.008000    0.040000
  1.8194E+00 -1.1376E-01  1.1427E+01
 -1.2963E+01 -2.1393E+01 -4.4346E+00
 -1.2952E+02  1.1065E+03  4.1891E+02
CT            2047   12.011000    0.145000
 -5.0127E-01 -7.1268E+00 -1.6582E+01
 -3.1818E+00 -2.2110E+00 -4.1931E+00
 -3.1733E+03 -2.0947E+03 -3.7335E+03
OH            2048    0.000000   -0.683000
 -1.6354E+00 -6.4728E+00 -1.6058E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2049    1.008000    0.418000
 -2.2794E+00 -6.6599E+00 -1.6724E+01
  1.1765E+01 -4.4905E+01 -2.0070E+00
  5.3977E+02  6.6646E+02  2.7581E+03
HC            2050    1.008000    0.040000
  3.5192E-01 -7.2421E+00 -1.5913E+01
 -7.7873E+00 -1.8134E+01 -6.3033E-01
 -1.5468E+02  2.2231E+03 -7.3376E+02
HC            2051    1.008000    0.040000
 -2.8603E-01 -6.6543E+00 -1.7540E+01
  1.7252E+01 -1.5700E+01 -6.8876E+00
  3.0389E+03  5.6901E+02  1.2406E+03
HC            2052    1.008000    0.040000
 -6.3070E-01 -8.1418E+00 -1.6957E+01
 -4.9721E-01 -4.3382E+00  5.3875E-01
 -2.5785E+03 -7.3488E+02  2.0786E+03
CT            2053   12.011000    0.145000
  2.0314E+01 -6.2284E+00 -1.3287E+01
 -1.8233E+00  7.6389E+00  2.8384E-01
 -1.1798E+03  2.9963E+03  4.0808E+02
OH            2054    0.000000   -0.683000
  1.8950E+01 -6.5663E+00 -1.3177E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2055    1.008000    0.418000
  1.8353E+01 -5.8386E+00 -1.3266E+01
 -1.1088E+01 -7.3260E+00  1.1041E+01
  2.4351E+03  1.2960E+03 -3.5183E+02
HC            2056    1.008000    0.040000
 -2.0219E+01 -5.5097E+00 -1.2554E+01
 -3.7209E+00 -8.2488E+00  1.7567E+01
 -2.9575E+03  3.0637E+02  7.1254E+02
HC            2057    1.008000    0.040000
 -2.0332E+01 -5.7761E+00 -1.4246E+01
  2.0051E+01  6.2786E+00  4.9139E+00
 -1.3624E+02 -1.8216E+03 -4.1658E+02
HC            2058    1.008000    0.040000
 -1.9907E+01 -7.0682E+00 -1.3140E+01
 -1.1764E+01 -1.0260E+01 -4.1300E+01
 -2.6712E+03 -3.4667E+02 -2.5233E+03
CT            2059   12.011000    0.145000
 -9.6954E+00  5.1226E+00 -1.4927E+01
  1.1944E+00  1.2291E+00 -2.4319E+00
 -2.3459E+03 -7.5173E+02  1.6032E+03
OH            2060    0.000000   -0.683000
 -9.7328E+00  6.3864E+00 -1.4303E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2061    1.008000    0.418000
 -8.8635E+00  6.6919E+00 -1.4513E+01
  4.8854E+00 -6.6394E+00  9.7788E+00
  2.0342E+02  9.7056E+02  2.7139E+03
HC            2062    1.008000    0.040000
 -9.9457E+00  5.3226E+00 -1.5969E+01
 -6.7405E+00 -3.5245E+00 -1.5205E+00
  3.7859E+01 -2.6995E+03 -3.6969E+02
HC            2063    1.008000    0.040000
 -1.0424E+01  4.4411E+00 -1.4489E+01
 -1.7743E+01  1.4252E+01 -1.2241E+01
 -2.5797E+03  2.2153E+03 -9.9179E+02
HC            2064    1.008000    0.040000
 -8.7730E+00  4.5491E+00 -1.4835E+01
  9.4744E+00  1.4635E+01  9.5002E-01
  1.7638E+03  3.1111E+03 -4.1169E+02
CT            2065   12.011000    0.145000
 -2.0253E+01 -5.0491E+00  1.0836E+01
  2.7912E-01  2.4982E+00  3.5745E+00
  6.9974E+02  1.1131E+03  3.0608E+03
OH            2066    0.000000   -0.683000
  1.9545E+01 -5.7305E+00  1.1393E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2067    1.008000    0.418000
  1.8932E+01 -6.0227E+00  1.0736E+01
  1.1377E+01  4.0896E-01 -1.1196E+01
  1.6590E+03  5.8841E+02 -1.6303E+03
HC            2068    1.008000    0.040000
 -2.0053E+01 -5.1120E+00  9.7659E+00
 -6.3672E+00  1.4165E+01  1.4728E+00
 -1.3723E+03 -2.1559E+03  3.7244E+02
HC            2069    1.008000    0.040000
 -1.9407E+01 -5.3951E+00  1.1429E+01
 -2.7953E+00 -1.2645E+01 -4.4297E-01
  8.2527E+02 -1.1676E+03 -1.8587E+03
HC            2070    1.008000    0.040000
 -2.0254E+01 -3.9799E+00  1.1048E+01
 -1.5991E+01  3.1692E+00  1.3718E+00
 -2.7409E+03  1.6250E+02 -5.7614E+02
CT            2071   12.011000    0.145000
 -1.4389E-01  1.7830E+01  8.2854E-01
 -1.2813E+00  5.4784E-02  8.5434E-01
 -1.0225E+02  1.3572E+03  4.6524E+02
OH            2072    0.000000   -0.683000
 -8.8909E-01  1.8185E+01 -3.1459E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2073    1.008000    0.418000
 -1.2196E+00  1.9065E+01 -2.2390E-01
 -5.4843E+00 -2.1699E+00  1.4947E+00
  5.3279E+02  2.0302E+02 -6.4673E+02
HC            2074    1.008000    0.040000
 -3.2516E-01  1.8528E+01  1.6457E+00
 -7.9920E+00  7.6609E-01 -1.1811E+00
 -1.3543E+03 -1.8995E+02 -2.2018E+01
HC            2075    1.008000    0.040000
  9.4094E-01  1.7854E+01  7.2535E-01
  5.1488E-01 -1.3473E+00  1.6871E+01
 -6.5375E+02  1.6100E+03 -2.1829E+03
HC            2076    1.008000    0.040000
 -2.9342E-01  1.6811E+01  1.1846E+00
  7.8108E+00 -2.9119E+00 -3.5091E+00
 -1.7432E+03  2.3225E+02 -8.2319E+02
CT            2077   12.011000    0.145000
  1.3787E+01 -1.5467E+01  1.2777E+01
  5.9171E-01  7.0191E+00  1.0485E+00
 -2.1698E+01 -9.5747E+03 -1.4563E+03
OH            2078    0.000000   -0.683000
  1.4812E+01 -1.5416E+01  1.1810E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2079    1.008000    0.418000
  1.4548E+01 -1.5878E+01  1.1029E+01
  7.9614E+00  6.2180E-01 -3.1590E+00
  9.0256E+02 -1.6023E+02 -1.5226E+02
HC            2080    1.008000    0.040000
  1.3950E+01 -1.5047E+01  1.3770E+01
 -4.4936E+00  1.0012E+01  6.5365E-01
 -4.7127E+02  2.1479E+03 -1.2999E+03
HC            2081    1.008000    0.040000
  1.3770E+01 -1.6534E+01  1.2998E+01
 -3.4577E+00  7.4532E+00  2.9078E+00
  1.0224E+03 -4.9203E+02  1.3134E+03
HC            2082    1.008000    0.040000
  1.2784E+01 -1.5491E+01  1.2351E+01
  3.6806E+00  3.9153E+00 -6.2133E+00
 -6.4654E+02  4.8125E+03  1.7164E+03
CT            2083   12.011000    0.145000
 -9.0042E-01 -1.3037E+01 -1.1927E+00
  2.2028E+00  2.6895E+00 -4.3405E+00
  3.9134E+02 -8.0085E+02 -8.3018E+03
OH            2084    0.000000   -0.683000
 -2.1019E+00 -1.2315E+01 -1.3483E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2085    1.008000    0.418000
 -2.1124E+00 -1.1990E+01 -2.2352E+00
  4.5232E+00 -2.7675E+00 -1.1041E+00
 -1.7516E+03 -2.4279E+03 -8.1539E+02
HC            2086    1.008000    0.040000
 -9.7708E-02 -1.2551E+01 -1.7473E+00
 -1.0346E+01  1.7750E+01 -1.0058E+01
 -4.1777E+02  2.0558E+03  1.1003E+03
HC            2087    1.008000    0.040000
 -1.0486E+00 -1.3945E+01 -1.7776E+00
  5.6410E-01 -2.1003E+01  2.9881E+01
  6.0153E+02 -1.2559E+03  2.9958E+03
HC            2088    1.008000    0.040000
 -5.2373E-01 -1.3322E+01 -2.1052E-01
 -2.2057E+00  5.5157E+00 -1.7934E+00
 -2.6818E+03  5.3774E+02  5.3533E+02
CT            2089   12.011000    0.145000
  1.9565E+01  4.3153E+00 -1.3901E+01
 -2.4990E+00 -3.3034E+00  3.3678E+00
  2.0437E+03  3.1345E+03 -2.8470E+03
OH            2090    0.000000   -0.683000
  1.8887E+01  5.4142E+00 -1.3335E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2091    1.008000    0.418000
  1.9471E+01  6.1528E+00 -1.3413E+01
  5.7271E+00 -4.1308E+00  3.0186E+00
  5.4445E+02 -3.1481E+02  1.4648E+03
HC            2092    1.008000    0.040000
 -2.0387E+01  4.1075E+00 -1.3405E+01
 -3.7608E+00 -1.3370E+01  1.7739E+00
 -5.7552E+02 -1.5896E+03  3.3193E+02
HC            2093    1.008000    0.040000
  1.9779E+01  4.8497E+00 -1.4827E+01
 -7.9506E+00 -6.5283E+00  1.9094E-01
  1.1283E+03 -3.9568E+03 -2.4152E+03
HC            2094    1.008000    0.040000
  1.8973E+01  3.4160E+00 -1.4068E+01
  1.3613E+01 -1.6065E+01  1.1939E+01
  1.0768E+03 -7.1114E+01  7.1500E+02
CT            2095   12.011000    0.145000
 -1.1734E+01 -1.6481E+01  1.2083E+01
  4.9944E-01  2.0862E-01  1.6512E+00
 -5.4619E+02 -2.0452E+02 -2.4245E+03
OH            2096    0.000000   -0.683000
 -1.2190E+01 -1.5147E+01  1.2050E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2097    1.008000    0.418000
 -1.2469E+01 -1.5017E+01  1.2944E+01
 -1.5142E+01 -2.5986E+01  5.6748E-02
  4.3733E+02  7.0316E-01 -9.1586E+02
HC            2098    1.008000    0.040000
 -1.0767E+01 -1.6600E+01  1.2572E+01
  3.5895E-01 -1.1583E+01 -6.3644E-01
 -1.6986E+03 -3.9061E+02  2.6176E+03
HC            2099    1.008000    0.040000
 -1.1644E+01 -1.7060E+01  1.1163E+01
 -1.8711E+00 -2.4808E+01  1.6255E+01
 -1.2621E+03  1.6733E+03 -2.7469E+02
HC            2100    1.008000    0.040000
 -1.2641E+01 -1.6759E+01  1.2620E+01
  4.5543E+00  9.8472E+00  1.3967E+01
  3.2226E+03 -6.1130E+03  1.2858E+03
CT            2101   12.011000    0.145000
 -9.7883E+00  9.0010E+00  6.5850E+00
  1.1918E+00 -1.4529E+00  1.8252E+00
  3.0544E+03 -8.0812E+02  8.7303E+02
OH            2102    0.000000   -0.683000
 -9.8141E+00  7.8917E+00  5.7150E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2103    1.008000    0.418000
 -1.0039E+01  8.1608E+00  4.8376E+00
  1.0539E+01 -9.0619E+00 -5.7410E+00
  1.6328E+03  1.8098E+02 -1.7320E+02
HC            2104    1.008000    0.040000
 -9.4605E+00  8.6662E+00  7.5692E+00
  1.0962E+01 -1.8679E+01 -6.8157E+00
 -1.5051E+03 -1.4468E+03 -2.5935E+02
HC            2105    1.008000    0.040000
 -1.0652E+01  9.6586E+00  6.6858E+00
  8.5461E+00  8.7079E+00  1.2846E-01
 -1.9129E+03 -3.2985E+03 -1.2148E+03
HC            2106    1.008000    0.040000
 -9.0255E+00  9.7624E+00  6.4222E+00
  8.6557E+00 -7.8559E+00  6.1411E+00
  1.1586E+03 -1.9331E+03 -3.5673E+03
CT            2107   12.011000    0.145000
 -1.2355E+01 -7.1092E+00 -1.4831E+01
 -3.5237E+00 -3.9521E-01 -2.5978E+00
  1.1699E+03  2.4847E+03  2.3781E+03
OH            2108    0.000000   -0.683000
 -1.1701E+01 -6.3530E+00 -1.5826E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2109    1.008000    0.418000
 -1.1236E+01 -5.6130E+00 -1.5466E+01
  5.7386E+00  1.0298E+01 -2.6281E+01
  5.2231E+02 -2.9209E+03  2.0399E+03
HC            2110    1.008000    0.040000
 -1.2620E+01 -6.5547E+00 -1.3931E+01
  5.9086E+00 -4.2140E+00  2.6779E+00
  6.6871E+02  2.0044E+03 -9.2950E+02
HC            2111    1.008000    0.040000
 -1.1606E+01 -7.7865E+00 -1.4420E+01
  8.2133E+00  1.4422E+01  1.3451E+00
 -2.0364E+03 -2.1421E+03 -1.4049E+03
HC            2112    1.008000    0.040000
 -1.3299E+01 -7.5163E+00 -1.5194E+01
  2.8724E+00 -1.3394E+01 -5.2538E+00
  1.5311E+03 -2.3413E+03 -5.0295E+02
CT            2113   12.011000    0.145000
  2.7629E+00 -1.4818E+01 -4.1082E+00
 -5.2361E-01 -3.2802E+00 -6.5523E+00
  6.5363E+02 -1.8009E+03  1.7891E+03
OH            2114    0.000000   -0.683000
  1.4873E+00 -1.5303E+01 -3.7548E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2115    1.008000    0.418000
  1.0418E+00 -1.5574E+01 -4.5432E+00
  1.5525E+01 -3.4095E+01  1.1255E+00
  3.2614E+03 -2.0226E+02 -2.4189E+02
HC            2116    1.008000    0.040000
  2.7039E+00 -1.3938E+01 -4.7499E+00
  1.1472E+01 -2.0484E+00 -6.1940E+00
  4.2934E+02 -1.1120E+03 -9.8283E+02
HC            2117    1.008000    0.040000
  3.3883E+00 -1.5565E+01 -4.5967E+00
  6.6800E+00  1.0446E+01 -1.9141E+01
 -1.0551E+03  3.8149E+02 -1.4012E+03
HC            2118    1.008000    0.040000
  3.3546E+00 -1.4492E+01 -3.2528E+00
 -1.2262E+01 -5.5990E+00  2.7181E+00
 -1.7456E+03 -2.6761E+02  1.3097E+03
CT            2119   12.011000    0.145000
 -1.0149E+01  1.8167E+01  7.6112E+00
  2.7429E+00  3.2393E+00  3.9425E+00
 -1.2371E+03 -1.4430E+03 -2.2363E+03
OH            2120    0.000000   -0.683000
 -9.2163E+00  1.8562E+01  6.6298E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2121    1.008000    0.418000
 -8.8645E+00  1.9359E+01  6.9956E+00
  1.4782E+01 -1.7350E+01  2.7015E+01
 -3.4285E+02 -2.0191E+03  2.2235E+03
HC            2122    1.008000    0.040000
 -9.7308E+00  1.8117E+01  8.6167E+00
  2.1341E+01  4.2065E+00 -3.3412E+00
  9.6738E+02 -8.3590E+02 -9.7438E+02
HC            2123    1.008000    0.040000
 -1.0593E+01  1.7210E+01  7.3394E+00
 -2.0503E+01  8.6462E+00  1.9895E+01
 -5.7717E+00  1.6370E+02  1.3681E+03
HC            2124    1.008000    0.040000
 -1.1008E+01  1.8836E+01  7.6580E+00
  3.8742E+00  4.9559E+00  5.2641E-01
  6.6130E+02  8.8839E+02 -6.2848E+02
CT            2125   12.011000    0.145000
  1.6627E+01  7.1265E+00 -7.6988E+00
 -3.2263E+00 -2.2796E+00 -3.1032E+00
 -2.1175E+03 -1.5414E+03 -2.3088E+03
OH            2126    0.000000   -0.683000
  1.7691E+01  6.8217E+00 -8.5728E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2127    1.008000    0.418000
  1.7376E+01  6.7601E+00 -9.4618E+00
  7.7298E+00 -1.7610E+01 -1.9345E+00
 -3.3874E+03  1.1354E+02  1.7888E+03
HC            2128    1.008000    0.040000
  1.6472E+01  6.2844E+00 -7.0243E+00
  1.1194E+01 -4.6687E+00 -2.4584E+00
  6.2268E+02  4.8355E+02  4.9324E+02
HC            2129    1.008000    0.040000
  1.5713E+01  7.2002E+00 -8.2885E+00
 -8.7264E+00  7.2370E+00  6.2582E+00
 -4.5945E+02  1.2214E+03  6.2707E+02
HC            2130    1.008000    0.040000
  1.6726E+01  8.0577E+00 -7.1411E+00
 -7.9334E-01 -2.1174E+00 -3.7935E+00
  9.4126E+02 -2.3819E+02 -2.0688E+02
CT            2131   12.011000    0.145000
 -3.3956E+00  1.9905E+01 -1.4559E+01
 -2.0396E-03 -2.6068E+00  1.5833E+00
 -2.9372E+03 -2.3368E+03 -2.2394E+03
OH            2132    0.000000   -0.683000
 -2.3850E+00  1.9396E+01 -1.5400E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2133    1.008000    0.418000
 -1.6668E+00  1.9929E+01 -1.5095E+01
 -4.5165E+00  7.7313E+00 -2.5925E+00
  2.7298E+03 -5.5000E+03  1.8497E+03
HC            2134    1.008000    0.040000
 -3.1677E+00 -1.9995E+01 -1.4189E+01
  9.2956E+00 -2.1035E+00 -5.1513E+00
  9.0033E+02 -6.0407E+02 -5.5993E+01
HC            2135    1.008000    0.040000
 -3.6020E+00  1.9256E+01 -1.3707E+01
  1.4263E+01  5.4460E-01  7.7392E+00
  7.4803E+02 -7.8695E+01 -8.5880E+01
HC            2136    1.008000    0.040000
 -4.2808E+00  1.9947E+01 -1.5193E+01
 -2.1361E+00 -1.4936E+01  3.4922E+00
 -9.0622E+02 -3.6316E+00  9.9708E+02
CT            2137   12.011000    0.145000
 -8.7706E+00 -3.9467E+00 -2.0955E+00
  2.8920E-01 -5.1591E+00 -9.0498E-01
  2.5588E+02 -3.2628E+03 -1.7431E+02
OH            2138    0.000000   -0.683000
 -7.4387E+00 -3.9478E+00 -1.6330E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2139    1.008000    0.418000
 -6.9556E+00 -4.6612E+00 -2.0211E+00
 -4.3192E+00 -1.6360E+00 -2.4400E+00
 -4.5651E+02 -3.0605E+01 -4.7212E+02
HC            2140    1.008000    0.040000
 -9.1108E+00 -4.9815E+00 -2.0558E+00
 -7.0743E+00 -2.9302E+00 -4.1393E+00
 -2.2344E+03  5.7509E+02  1.8232E+03
HC            2141    1.008000    0.040000
 -9.0044E+00 -3.7427E+00 -3.1404E+00
 -9.6602E+00 -2.1133E+01 -2.1381E+00
  2.0183E+03  9.6522E+02  2.8769E+02
HC            2142    1.008000    0.040000
 -9.3590E+00 -3.2244E+00 -1.5296E+00
 -1.1196E+00 -3.5433E+00 -4.4019E+00
 -9.2341E+02 -1.8142E+03  8.9392E+02
CT            2143   12.011000    0.145000
 -2.0433E+01  1.8616E+01  2.1500E+00
 -4.4134E+00  1.7781E+00 -5.2799E+00
 -2.9463E+03  2.4296E+02 -1.7758E+03
OH            2144    0.000000   -0.683000
  2.0428E+01  1.7268E+01  1.7378E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2145    1.008000    0.418000
  2.0336E+01  1.6919E+01  2.6108E+00
  4.9535E+01 -3.4316E+01 -4.3185E+00
 -1.1175E+02 -5.1730E+03 -5.5304E+03
HC            2146    1.008000    0.040000
 -1.9717E+01  1.8684E+01  2.9689E+00
  1.8619E+01 -5.9583E+00 -2.3645E+01
 -1.0347E+02  1.7970E+03 -1.5056E+03
HC            2147    1.008000    0.040000
  1.9427E+01  1.8714E+01  2.4610E+00
 -5.6391E+00  1.8719E+01 -1.3561E+01
  6.8319E+02  3.4308E+03  1.2235E+03
HC            2148    1.008000    0.040000
 -2.0270E+01  1.9301E+01  1.3175E+00
 -1.1451E+01  8.8919E+00 -9.5489E-01
  1.0674E+03  7.2791E+02  8.4174E+02
CT            2149   12.011000    0.145000
  7.4922E+00 -6.2845E+00 -6.8948E+00
  9.5780E-01  1.5626E+00  9.3163E-02
  7.1815E+02 -3.0297E+03  1.0858E+03
OH            2150    0.000000   -0.683000
  8.1152E+00 -6.5954E+00 -8.1209E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2151    1.008000    0.418000
  8.9801E+00 -6.8945E+00 -7.8851E+00
 -1.2372E+01 -1.4997E+01  3.2420E+01
 -1.6817E+03  3.2997E+02  1.5628E+03
HC            2152    1.008000    0.040000
  7.9371E+00 -5.4077E+00 -6.4242E+00
  9.3126E+00 -2.3684E+00 -2.9956E-01
  1.6337E+02 -5.2455E+02  3.2930E+02
HC            2153    1.008000    0.040000
  7.6301E+00 -7.1431E+00 -6.2376E+00
 -2.5804E+00  2.1293E+01  2.8446E+01
  1.0087E+02  1.7218E+03  1.2331E+03
HC            2154    1.008000    0.040000
  6.4130E+00 -6.1531E+00 -6.9725E+00
  1.4336E+00  2.3636E+00 -5.5856E+00
  2.9274E+02  1.1129E+03 -5.9760E+02
CT            2155   12.011000    0.145000
 -2.7237E+00 -9.9086E+00 -7.3013E+00
 -8.2003E+00 -5.9095E+00  6.4332E+00
 -1.9764E+02 -1.4144E+03  1.3269E+03
OH            2156    0.000000   -0.683000
 -1.7107E+00 -1.0760E+01 -6.8143E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2157    1.008000    0.418000
 -1.8399E+00 -1.0938E+01 -5.8952E+00
 -1.0158E+01  7.7244E+00  2.4188E-01
 -2.5548E+03  8.9323E+02 -2.3844E+02
HC            2158    1.008000    0.040000
 -2.5514E+00 -9.7513E+00 -8.3661E+00
  1.5013E+01 -1.2296E+01  8.6975E+00
  1.1638E+03  4.8343E+02  8.5440E+02
HC            2159    1.008000    0.040000
 -2.7159E+00 -8.9462E+00 -6.7897E+00
  7.7559E+00 -5.5592E+00  6.0293E+00
  1.7906E+03 -1.7058E+02 -1.0755E+02
HC            2160    1.008000    0.040000
 -3.7620E+00 -1.0240E+01 -7.3223E+00
 -2.9674E+00 -2.4475E+01 -2.5265E+01
  2.1902E+03 -3.0233E+03  1.7375E+03
CT            2161   12.011000    0.145000
  1.4120E+01  1.5073E+01 -4.1017E+00
 -2.4278E-01 -1.9558E+00  5.2399E-01
  7.8857E+02  3.8112E+03 -1.1611E+03
OH            2162    0.000000   -0.683000
  1.4883E+01  1.5293E+01 -2.9365E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2163    1.008000    0.418000
  1.4269E+01  1.4986E+01 -2.2871E+00
 -4.8056E+00 -1.5375E+01 -1.1221E+01
  1.7588E+03 -8.1075E+02  6.4867E+02
HC            2164    1.008000    0.040000
  1.4549E+01  1.5573E+01 -4.9705E+00
 -4.6793E+00 -2.8373E+01 -1.8082E+01
  1.3829E+03 -2.5367E+03 -1.6034E+02
HC            2165    1.008000    0.040000
  1.3157E+01  1.5577E+01 -4.0203E+00
 -2.0315E-02 -1.3601E+00 -5.1658E-01
 -9.2503E+02 -1.8188E+03  1.1019E+03
HC            2166    1.008000    0.040000
  1.4006E+01  1.4025E+01 -4.3793E+00
 -2.5818E+00 -2.4754E-01 -5.1065E+00
 -7.8405E+02  3.3825E+02  3.4064E+02
CT            2167   12.011000    0.145000
  9.9287E+00 -5.1302E+00 -1.9284E+01
  4.6169E+00  2.0769E+00 -1.1766E+00
  2.9591E+03  3.2157E+03 -2.2241E+02
OH            2168    0.000000   -0.683000
  1.0364E+01 -5.3633E+00 -1.7963E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2169    1.008000    0.418000
  1.1248E+01 -5.6917E+00 -1.8023E+01
  1.1707E+00 -3.4051E+00  2.5036E+01
 -2.7413E+02  8.1742E+02  9.3024E+02
HC            2170    1.008000    0.040000
  1.0601E+01 -4.3111E+00 -1.9539E+01
 -1.3602E+01  2.1124E+01  8.8374E+00
 -3.0223E+03  1.6692E+03 -1.9255E+03
HC            2171    1.008000    0.040000
  8.8728E+00 -4.8903E+00 -1.9159E+01
 -1.6898E+00 -2.3486E+01  1.7301E-01
  4.7902E+02  1.0643E+02 -3.6596E+03
HC            2172    1.008000    0.040000
  1.0172E+01 -5.9493E+00 -1.9960E+01
  1.8036E-01  4.3137E+00 -5.5477E+00
 -2.6958E+03 -5.5669E+02 -5.2720E+01
CT            2173   12.011000    0.145000
 -1.3517E+01 -6.3676E+00  1.0641E+01
  2.2246E+00 -1.3093E+00 -1.4103E+00
 -1.0147E+03  3.2907E+02  3.9313E+02
OH            2174    0.000000   -0.683000
 -1.3869E+01 -5.6863E+00  9.4576E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2175    1.008000    0.418000
 -1.3303E+01 -5.9660E+00  8.7548E+00
 -1.2198E+01  3.7473E-01 -1.0345E+01
  3.8952E+02  8.3775E+02  3.9885E+02
HC            2176    1.008000    0.040000
 -1.2470E+01 -6.6279E+00  1.0802E+01
  1.3536E+00  2.8198E+00  1.2125E+01
 -2.1650E+02 -6.8563E+02 -2.5390E+03
HC            2177    1.008000    0.040000
 -1.4173E+01 -7.2376E+00  1.0616E+01
  3.5076E+00 -4.6250E+00  3.2981E+01
  1.8115E+03 -6.7538E+02  3.6506E+03
HC            2178    1.008000    0.040000
 -1.3745E+01 -5.7409E+00  1.1503E+01
 -1.6414E+01 -6.0539E+00 -2.4749E+00
 -2.5649E+03 -1.0374E+03 -6.2751E+01
CT            2179   12.011000    0.145000
  9.7514E+00  6.5227E+00  1.8634E+01
 -4.8473E+00  5.9329E+00 -4.2403E+00
  6.5534E+03 -4.5670E+03 -3.2991E+03
OH            2180    0.000000   -0.683000
  1.0734E+01  7.4996E+00  1.8896E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2181    1.008000    0.418000
  1.1503E+01  6.9887E+00  1.8697E+01
 -4.3585E+00 -1.2962E+01  1.4433E+01
  1.6882E+03  4.9691E+03 -1.9186E+03
HC            2182    1.008000    0.040000
  8.7049E+00  6.4874E+00  1.8937E+01
 -5.8436E+00  1.5359E+01 -6.2731E+00
  4.1095E+02  4.7597E+03 -8.3304E+00
HC            2183    1.008000    0.040000
  1.0200E+01  5.6288E+00  1.9067E+01
  4.3584E-01  8.2070E+00 -4.9417E+00
 -1.8717E+03 -2.8835E+02  2.1623E+03
HC            2184    1.008000    0.040000
  9.9067E+00  6.2515E+00  1.7590E+01
 -1.1913E+01 -5.1067E+00 -2.5910E+00
 -3.4170E+03  2.9207E+02 -9.1693E+02
CT            2185   12.011000    0.145000
  1.4711E+01  1.4749E+01  1.9790E+01
 -1.4517E-01 -7.8265E-01 -2.4396E+00
  3.8480E+02  6.7484E+02  3.5004E+03
OH            2186    0.000000   -0.683000
  1.3529E+01  1.4041E+01  2.0090E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2187    1.008000    0.418000
  1.3733E+01  1.3121E+01  2.0161E+01
 -1.0140E+01 -2.3564E+00 -2.5541E-03
  4.5862E+02  1.9548E+02 -6.1811E+02
HC            2188    1.008000    0.040000
  1.4444E+01  1.5726E+01  1.9388E+01
  9.7564E+00  5.3529E-01 -6.1092E+00
  2.3305E+03  2.0855E+01 -1.2848E+03
HC            2189    1.008000    0.040000
  1.5329E+01  1.4146E+01  1.9124E+01
 -1.1938E+01  3.8771E+00 -1.8202E+01
  7.9860E+02  1.6302E+03  2.1043E+02
HC            2190    1.008000    0.040000
  1.5052E+01  1.4832E+01 -2.0078E+01
  1.1291E+01 -1.7852E+01 -4.4414E+00
  4.4954E+03  6.7081E+02 -1.5214E+03
CT            2191   12.011000    0.145000
 -4.8292E+00  1.6847E+01 -9.4887E+00
  1.6207E-02 -1.2074E+00 -2.0388E+00
 -4.9848E+03 -3.5870E+03 -4.5700E+02
OH            2192    0.000000   -0.683000
 -4.1391E+00  1.5792E+01 -8.8560E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2193    1.008000    0.418000
 -4.7876E+00  1.5359E+01 -8.3228E+00
  2.0410E+01  1.2528E+00  2.8108E+01
  2.1899E+03 -9.9060E+02 -1.5356E+02
HC            2194    1.008000    0.040000
 -5.3322E+00  1.6233E+01 -1.0236E+01
  1.4934E+01  9.0082E+00 -2.1418E+01
 -7.0671E+02  2.8707E+03 -1.8012E+03
HC            2195    1.008000    0.040000
 -4.4400E+00  1.7767E+01 -9.9250E+00
 -1.4235E+01  2.1393E+01  2.9042E+01
  3.5717E+03 -4.3227E+03  3.2067E+02
HC            2196    1.008000    0.040000
 -5.6122E+00  1.7270E+01 -8.8597E+00
  6.7927E+00  1.4742E+00  4.7489E+00
  6.4050E+02 -8.1218E+02  1.5586E+03
CT            2197   12.011000    0.145000
 -2.0064E+01  2.0672E+00 -3.0353E+00
  8.1163E-01 -3.3657E-01 -8.6379E-01
  6.3972E+03 -1.7032E+03 -2.9041E+02
OH            2198    0.000000   -0.683000
 -2.0414E+01  7.1603E-01 -2.8364E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2199    1.008000    0.418000
  1.9599E+01  6.6909E-01 -3.1597E+00
 -1.2867E+01 -5.6672E+00  3.2274E+01
  1.4263E+03  1.5278E+03  6.4262E+01
HC            2200    1.008000    0.040000
  2.0210E+01  2.8914E+00 -2.6934E+00
 -1.0696E+00  2.7575E+00 -1.1403E+01
 -3.3561E+03 -2.1865E+03 -2.4293E+03
HC            2201    1.008000    0.040000
 -1.9845E+01  2.0330E+00 -4.1025E+00
  3.1826E+01  2.6175E+01  3.0718E+00
 -4.6534E+02  5.4501E+03  7.8722E+02
HC            2202    1.008000    0.040000
 -1.9149E+01  2.3188E+00 -2.4978E+00
 -5.1106E+00  2.4606E+00  8.1307E+00
  1.6294E+03 -1.6480E+03 -1.6187E+03
CT            2203   12.011000    0.145000
  1.9626E+01  2.1972E+00  7.7844E+00
  5.6691E-01  1.7386E+00  3.0600E+00
 -1.0769E+03  4.1211E+03  3.9247E+02
OH            2204    0.000000   -0.683000
 -2.0008E+01  2.6030E+00  7.3151E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2205    1.008000    0.418000
 -1.9650E+01  3.1711E+00  7.9800E+00
 -8.9090E+00 -1.5592E+00  6.3110E+00
 -1.8988E+03 -2.3804E+02  1.1749E+03
HC            2206    1.008000    0.040000
  1.9242E+01  2.6520E+00  8.6975E+00
  6.6288E+00  6.1980E+00  3.4507E+00
  2.7230E+03  2.1502E+03  3.4084E+02
HC            2207    1.008000    0.040000
  1.9416E+01  1.1419E+00  7.9586E+00
 -1.6866E+01  1.9024E+00 -1.3598E+01
  1.5903E+03 -1.7358E+02 -3.8497E+03
HC            2208    1.008000    0.040000
  1.9021E+01  2.6873E+00  7.0211E+00
 -7.2791E+00  6.9449E+00  1.2388E+01
 -3.2877E+03 -3.5779E+03  3.0674E+02
CT            2209   12.011000    0.145000
  5.4666E+00 -5.1353E+00  1.2020E+01
  6.3603E+00  5.4550E+00 -5.3523E+00
  2.1869E+03 -1.8112E+03  1.0116E+03
OH            2210    0.000000   -0.683000
  5.5709E+00 -6.1888E+00  1.1089E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2211    1.008000    0.418000
  5.5482E+00 -5.7666E+00  1.0243E+01
 -3.6711E+00  1.2922E+01  6.2917E+00
 -1.4845E+03 -1.6444E+03 -4.2014E+02
HC            2212    1.008000    0.040000
  5.8627E+00 -5.6216E+00  1.2911E+01
 -1.8374E+00 -1.7743E+01 -1.3609E+01
  7.1804E+02  1.9812E+03  2.6515E-01
HC            2213    1.008000    0.040000
  4.4829E+00 -4.7875E+00  1.2335E+01
 -8.4742E-01 -1.8413E+01  5.7340E-01
 -8.6173E+02 -2.2724E+03 -2.4659E+03
HC            2214    1.008000    0.040000
  5.9874E+00 -4.2090E+00  1.1777E+01
 -1.7630E+01  2.2326E+01  3.6890E+00
  1.5075E+03 -2.1233E+03  3.8650E+02
CT            2215   12.011000    0.145000
  1.7493E+01 -5.4482E+00 -1.5927E+01
 -3.7633E-02 -5.2151E+00  1.4622E+00
 -1.1419E+03  5.0047E+03 -4.5944E+03
OH            2216    0.000000   -0.683000
  1.8752E+01 -5.6226E+00 -1.6537E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2217    1.008000    0.418000
  1.8834E+01 -5.1157E+00 -1.7330E+01
 -1.5497E+01  3.3852E+01  1.7880E+01
 -3.0667E+03 -2.8009E+02  1.3831E+03
HC            2218    1.008000    0.040000
  1.7052E+01 -4.6330E+00 -1.6500E+01
  1.8846E-02 -1.5102E+00  6.6155E+00
 -1.7847E+03 -1.1118E+03 -1.1061E+03
HC            2219    1.008000    0.040000
  1.7542E+01 -4.9423E+00 -1.4962E+01
  2.1536E+01  3.3306E+00 -3.5234E+00
  7.5883E+02 -2.8339E+03  6.0506E+02
HC            2220    1.008000    0.040000
  1.6835E+01 -6.3108E+00 -1.6029E+01
 -7.4694E+00  1.0046E-01  3.6039E+00
 -3.3320E+01  2.5339E+02  1.4465E+03
CT            2221   12.011000    0.145000
  1.7613E+01 -6.2734E+00 -1.0224E+01
 -2.9838E+00  4.5706E+00  5.7279E+00
 -2.3549E+03  4.1665E+03  4.3956E+03
OH            2222    0.000000   -0.683000
  1.8545E+01 -5.2677E+00 -1.0552E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2223    1.008000    0.418000
  1.9285E+01 -5.7247E+00 -1.0921E+01
  8.1821E+00  1.7094E+01 -5.8202E+00
  3.7066E+02  1.8781E+03 -9.2301E+02
HC            2224    1.008000    0.040000
  1.6980E+01 -5.8687E+00 -9.4341E+00
  1.0993E+01  1.5940E+01  1.1555E+01
  2.8995E+02  9.2499E+01  4.5525E+02
HC            2225    1.008000    0.040000
  1.8171E+01 -7.1040E+00 -9.7922E+00
 -1.2467E+01 -1.2183E+01 -1.2602E+01
 -2.4195E+03 -2.2008E+03 -2.3477E+03
HC            2226    1.008000    0.040000
  1.6941E+01 -6.5114E+00 -1.1049E+01
  1.3144E+01 -1.7657E+01 -1.9723E+00
  2.6457E+03 -3.3010E+03 -4.9299E+02
CT            2227   12.011000    0.145000
 -5.1025E+00 -1.0075E+01 -1.1131E+01
  3.5742E+00  5.8685E+00 -1.3193E+00
 -2.5946E+03 -2.2299E+03 -3.6665E+02
OH            2228    0.000000   -0.683000
 -6.0991E+00 -9.3282E+00 -1.0470E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2229    1.008000    0.418000
 -6.1502E+00 -8.4867E+00 -1.0897E+01
  2.7512E+01  7.2821E+00  8.9723E+00
  2.5050E+03 -1.0728E+03 -7.8233E+02
HC            2230    1.008000    0.040000
 -5.0382E+00 -9.7664E+00 -1.2174E+01
  7.4724E+00 -1.1665E+01 -6.6074E+00
  3.0030E+03  1.2408E+03  1.0242E+03
HC            2231    1.008000    0.040000
 -5.4043E+00 -1.1115E+01 -1.1261E+01
 -1.5723E+01  1.0332E+01  4.5268E+00
 -1.5599E+03  2.9824E+02  1.4490E+03
HC            2232    1.008000    0.040000
 -4.1755E+00 -1.0124E+01 -1.0560E+01
  1.4296E+01  7.7321E+00 -1.7874E+01
  1.1259E+03  2.0168E+03 -2.3601E+03
CT            2233   12.011000    0.145000
  1.3113E+00  4.3710E+00 -1.5843E+01
  4.6516E+00 -5.0808E+00 -9.2813E-01
  5.1064E+02 -1.1140E+03 -3.3336E+03
OH            2234    0.000000   -0.683000
  2.6612E-01  3.4246E+00 -1.5848E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2235    1.008000    0.418000
 -2.0730E-01  3.3945E+00 -1.5031E+01
 -1.0647E+01 -1.7990E+01 -6.2471E+00
  1.1124E+03  1.7830E+03 -9.9300E+01
HC            2236    1.008000    0.040000
  2.1313E+00  4.2784E+00 -1.5131E+01
  7.8880E+00 -3.0785E+01 -7.0056E+00
 -2.9823E+03 -1.9328E+03  2.0440E+03
HC            2237    1.008000    0.040000
  9.5906E-01  5.4025E+00 -1.5850E+01
 -8.8818E+00 -8.1352E+00  3.3504E+01
 -1.7059E+03 -1.6245E+03  2.0258E+03
HC            2238    1.008000    0.040000
  1.9026E+00  4.2102E+00 -1.6745E+01
  1.1175E+01 -1.1096E+01  4.3067E+00
 -9.2271E+02 -4.7132E+02 -6.9673E+02
CT            2239   12.011000    0.145000
  9.5864E+00 -4.1982E+00  9.7342E+00
  1.9805E+00 -2.8028E-02  1.7998E+00
  3.7344E+03 -6.2727E+02 -4.1113E+03
OH            2240    0.000000   -0.683000
  9.7125E+00 -2.7991E+00  9.6132E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2241    1.008000    0.418000
  9.4388E+00 -2.5015E+00  1.0467E+01
  8.4403E+00  2.7020E+01 -5.7318E+00
 -3.5794E+03  4.9239E+03 -3.3868E+03
HC            2242    1.008000    0.040000
  1.0203E+01 -4.5578E+00  1.0558E+01
 -2.1020E+00 -5.1224E+00  2.6845E+00
 -6.9129E+02 -4.4441E+02  2.1133E+02
HC            2243    1.008000    0.040000
  9.9343E+00 -4.7289E+00  8.8480E+00
 -1.1727E+00 -6.9830E+00  4.6511E+00
  2.8237E+03  1.7843E+03 -2.6966E+02
HC            2244    1.008000    0.040000
  8.6246E+00 -4.7112E+00  9.7331E+00
 -9.1857E+00  1.9883E+01  2.9584E+00
 -2.2881E+03  4.9737E+03  2.9930E+03
CT            2245   12.011000    0.145000
 -1.1360E+01 -1.8297E+01 -4.0627E+00
  7.4796E-01  3.0461E+00  4.7503E+00
  1.4207E+03  1.4333E+03 -1.7377E+03
OH            2246    0.000000   -0.683000
 -1.0135E+01 -1.8959E+01 -3.8382E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2247    1.008000    0.418000
 -9.6789E+00 -1.9110E+01 -4.6518E+00
  7.0697E-01  1.3329E+01 -2.3009E+00
 -1.7554E+03 -8.4693E+02 -5.3520E+02
HC            2248    1.008000    0.040000
 -1.1671E+01 -1.7652E+01 -3.2411E+00
  3.7284E+00  8.6695E+00  1.5258E+00
 -9.1216E+02 -2.4792E+03  1.3091E+03
HC            2249    1.008000    0.040000
 -1.2059E+01 -1.9091E+01 -4.3266E+00
 -1.6234E+01  2.1261E+01 -7.9868E+00
 -2.2223E+03  2.9095E+03 -7.2176E+02
HC            2250    1.008000    0.040000
 -1.1263E+01 -1.7570E+01 -4.8687E+00
 -1.8262E+01 -7.3327E+00 -7.6731E+00
 -9.1293E+02 -2.0792E+03 -1.7646E+03
CT            2251   12.011000    0.145000
 -7.0513E+00  4.8869E+00  1.7654E+01
  5.0492E+00  1.8432E+00 -3.4823E+00
 -2.9387E+03 -5.5206E+02  1.2877E+03
OH            2252    0.000000   -0.683000
 -7.6434E+00  4.3195E+00  1.6507E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2253    1.008000    0.418000
 -8.3496E+00  3.7316E+00  1.6727E+01
 -7.9958E+00  3.0290E+00 -1.6025E+01
  3.9491E+02  2.1706E+02  2.2410E+02
HC            2254    1.008000    0.040000
 -6.2790E+00  5.5282E+00  1.7229E+01
  2.1652E+01 -7.7381E+00  1.0891E+01
  2.0736E+02  1.3827E+03  4.0599E+03
HC            2255    1.008000    0.040000
 -6.6252E+00  4.0731E+00  1.8241E+01
  2.2751E+01  1.3267E+00 -1.6242E+01
  1.5975E+03  9.9222E+02 -3.6514E+02
HC            2256    1.008000    0.040000
 -7.8589E+00  5.3462E+00  1.8224E+01
  3.1004E+01  2.0789E+01  2.0877E+01
  2.8004E+03  2.6285E+03  2.7755E+02
CT            2257   12.011000    0.145000
 -1.1789E+01 -4.2954E+00 -6.2273E+00
 -1.0355E+01  2.5095E+00  4.2182E+00
 -2.6352E+03  2.8380E+03  1.6195E+03
OH            2258    0.000000   -0.683000
 -1.1191E+01 -3.9414E+00 -5.0006E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2259    1.008000    0.418000
 -1.1804E+01 -3.4746E+00 -4.4540E+00
  2.5234E+01  1.5870E+01  1.6920E+01
  6.7919E+02 -1.0719E+03 -5.6384E+02
HC            2260    1.008000    0.040000
 -1.1104E+01 -4.1049E+00 -7.0535E+00
 -2.5007E+01  9.0720E+00 -6.8792E+00
 -7.0095E+02 -1.5014E+03 -1.8643E+02
HC            2261    1.008000    0.040000
 -1.2570E+01 -3.5358E+00 -6.2629E+00
 -7.1475E+00  5.5396E+00 -3.9065E+00
 -9.9271E+02 -7.4731E+02 -3.3616E+03
HC            2262    1.008000    0.040000
 -1.2211E+01 -5.3003E+00 -6.2393E+00
 -7.3081E-01 -1.6324E+00 -6.7382E+00
  4.2922E+02  1.4755E+02 -6.0148E+02
CT            2263   12.011000    0.145000
 -1.4830E+01  9.9977E+00 -1.4826E+01
 -3.3973E+00 -2.5312E+00  5.9406E+00
 -4.9190E+02 -5.2963E+02 -2.2469E+03
OH            2264    0.000000   -0.683000
 -1.5918E+01  1.0853E+01 -1.5093E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2265    1.008000    0.418000
 -1.6424E+01  1.0449E+01 -1.5782E+01
 -6.4902E+00 -7.8680E+00  9.1123E+00
  2.3785E+03 -1.7485E+02 -1.2038E+03
HC            2266    1.008000    0.040000
 -1.5261E+01  9.0423E+00 -1.4528E+01
 -1.3457E+01 -2.0270E+00 -6.1399E+00
  1.5924E+03  2.5185E+02  1.7146E+03
HC            2267    1.008000    0.040000
 -1.4099E+01  1.0438E+01 -1.4147E+01
  2.9349E+00 -1.0828E+01  4.6662E+00
 -7.6034E+02 -1.1723E+03  1.1587E+03
HC            2268    1.008000    0.040000
 -1.4284E+01  9.8103E+00 -1.5751E+01
  1.8164E+00  1.1725E+01  5.8812E+00
 -3.0458E+02  9.9862E+02 -3.6019E+02
CT            2269   12.011000    0.145000
  1.1674E+01 -2.0071E+00  1.2477E+01
  1.8546E-01 -2.4873E+00 -6.8883E+00
  1.2883E+03 -3.4159E+03 -4.4282E+03
OH            2270    0.000000   -0.683000
  1.2967E+01 -1.4655E+00  1.2324E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2271    1.008000    0.418000
  1.3633E+01 -2.1268E+00  1.2436E+01
  8.6376E+00  1.0089E+01  1.0864E+01
  6.9442E+02  1.0139E+03 -3.9151E+02
HC            2272    1.008000    0.040000
  1.0888E+01 -1.2539E+00  1.2425E+01
 -3.2081E+00 -5.8014E+00 -4.1747E+00
 -5.9638E+01 -3.8570E+02  1.0182E+03
HC            2273    1.008000    0.040000
  1.1512E+01 -2.7127E+00  1.3292E+01
 -9.5129E+00 -4.9710E+00 -1.0824E+01
  7.0911E+02  1.8992E+03  1.3884E+03
HC            2274    1.008000    0.040000
  1.1572E+01 -2.6070E+00  1.1573E+01
  1.3757E+00  1.5893E+01 -1.9778E+01
 -1.2057E+03  8.4078E+01  1.0320E+02
CT            2275   12.011000    0.145000
 -1.9870E+00  7.7207E+00 -1.5621E+01
 -1.6990E+00  2.3898E+00  5.7044E-01
  1.4274E+03  6.5452E+02 -1.3744E+03
OH            2276    0.000000   -0.683000
 -2.8114E+00  7.3924E+00 -1.6717E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2277    1.008000    0.418000
 -2.5691E+00  7.9033E+00 -1.7474E+01
 -3.2422E+00  4.6365E+00  2.0425E+00
  1.3784E+03  1.1646E+03  1.2690E+03
HC            2278    1.008000    0.040000
 -9.8188E-01  7.3497E+00 -1.5822E+01
 -5.7261E+00 -4.9138E+00 -6.7071E+00
 -6.0476E+01 -2.0990E+02  6.0535E+01
HC            2279    1.008000    0.040000
 -2.3639E+00  7.2739E+00 -1.4701E+01
 -1.0346E+01  1.4369E+01  3.0899E+00
  6.1026E+01  3.5860E+02 -2.2135E+02
HC            2280    1.008000    0.040000
 -1.9029E+00  8.7887E+00 -1.5420E+01
 -4.1400E+00 -1.8957E+00  2.8299E+01
 -1.0162E+03 -6.0401E+02  9.2445E+01
CT            2281   12.011000    0.145000
 -1.6235E+01 -7.4061E-01  4.5729E+00
  2.2192E+00 -5.2729E+00 -2.2134E+00
  6.7108E+02  4.5537E+02  1.7384E+02
OH            2282    0.000000   -0.683000
 -1.5683E+01 -1.0321E+00  5.8374E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2283    1.008000    0.418000
 -1.4866E+01 -1.4871E+00  5.7046E+00
  4.3414E+00  7.6037E+00  9.2334E-02
  2.9554E+02  1.0133E+03 -1.2978E+03
HC            2284    1.008000    0.040000
 -1.6869E+01  1.4068E-01  4.6670E+00
  2.8871E+00 -6.8372E+00  2.4592E+01
  6.9311E+02 -3.2163E+02  2.5460E+02
HC            2285    1.008000    0.040000
 -1.6854E+01 -1.5364E+00  4.1595E+00
  6.2679E+00 -2.2549E+00 -1.4518E+01
  1.4235E+03 -6.2316E+02 -4.0192E+02
HC            2286    1.008000    0.040000
 -1.5377E+01 -5.1987E-01  3.9380E+00
  2.0304E+00  2.0334E+00 -2.0032E-02
 -1.3790E+03  3.5172E+01 -1.7939E+03
CT            2287   12.011000    0.145000
 -1.9569E+01 -9.3487E+00  1.9872E+01
  2.7775E+00  3.8201E+00  1.3498E+00
 -4.4094E+03  2.1469E+03 -8.0024E+01
OH            2288    0.000000   -0.683000
 -1.9814E+01 -9.6557E+00 -1.9673E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2289    1.008000    0.418000
 -1.9272E+01 -1.0425E+01 -1.9586E+01
 -1.3902E+01 -8.2980E+00  2.1413E+01
 -1.2693E+02  9.4086E+02  4.1301E+03
HC            2290    1.008000    0.040000
 -1.8541E+01 -9.2317E+00  1.9531E+01
 -2.7420E+00  1.3235E+01 -1.2981E+01
  6.8059E+01 -6.3573E+01  2.7466E+03
HC            2291    1.008000    0.040000
 -2.0089E+01 -8.4443E+00  1.9557E+01
  2.5955E+00 -4.7177E+00 -2.5280E+01
  9.1729E+01 -4.1866E+02 -6.6516E+01
HC            2292    1.008000    0.040000
 -2.0033E+01 -1.0156E+01  1.9306E+01
 -9.0836E+00  1.5498E+01 -6.1839E+00
 -1.2769E+02  7.0283E+02 -3.9820E+02
CT            2293   12.011000    0.145000
  6.9539E+00 -1.2229E+01 -1.9927E+01
 -3.0964E+00 -6.2452E+00  6.8471E-02
 -4.2497E+03 -5.0204E+03  1.8897E+03
OH            2294    0.000000   -0.683000
  5.8952E+00 -1.1705E+01  2.0204E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2295    1.008000    0.418000
  6.2285E+00 -1.1804E+01  1.9325E+01
 -1.2622E+01  2.7476E+00 -5.3223E+00
 -3.0248E+03 -1.3321E+03 -9.2563E+02
HC            2296    1.008000    0.040000
  7.0070E+00 -1.3317E+01 -1.9963E+01
  1.5546E+01 -6.0599E+00  9.6772E+00
 -6.8344E+02  5.9963E+01 -7.9553E+02
HC            2297    1.008000    0.040000
  6.6560E+00 -1.1999E+01 -1.8904E+01
 -5.2816E-01  1.9505E+01 -4.2898E+00
  3.8793E+03  1.2729E+03  5.0009E+02
HC            2298    1.008000    0.040000
  7.9672E+00 -1.1947E+01 -2.0213E+01
  5.1436E-01 -6.5264E-01  1.7198E+01
 -9.6064E+02  2.6823E+03  1.7625E+03
CT            2299   12.011000    0.145000
 -2.0110E+00  1.8145E+01 -7.6661E+00
 -1.0819E+00  6.0715E+00  1.8981E+00
 -1.3968E+02 -1.8362E+03 -1.4714E+03
OH            2300    0.000000   -0.683000
 -1.1791E+00  1.8611E+01 -8.7048E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2301    1.008000    0.418000
 -2.9560E-01  1.8624E+01 -8.3698E+00
 -3.4054E+00  5.0115E+00  9.1459E+00
 -1.1362E+03  4.3842E+02  2.9527E+03
HC            2302    1.008000    0.040000
 -1.6248E+00  1.7133E+01 -7.5451E+00
  7.9845E+00  7.0123E+00 -1.5874E+01
 -2.0691E+03 -2.1580E+01  2.1359E+03
HC            2303    1.008000    0.040000
 -3.0069E+00  1.8146E+01 -8.1091E+00
  2.3760E+00 -7.9108E+00 -6.5369E+00
 -5.3077E+02 -7.2037E+02  1.7850E+03
HC            2304    1.008000    0.040000
 -1.9979E+00  1.8787E+01 -6.7856E+00
 -1.9795E+00  2.2101E+01 -9.3462E+00
  9.8887E+02 -8.5306E+02 -1.2640E+02
CT            2305   12.011000    0.145000
  1.7604E+01  1.7284E+01  1.0399E+01
 -4.3470E+00 -1.2139E-01  7.5411E+00
 -1.0327E+03 -2.9410E+02 -6.9788E+02
OH            2306    0.000000   -0.683000
  1.6756E+01  1.8302E+01  9.9169E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2307    1.008000    0.418000
  1.5995E+01  1.7770E+01  9.7378E+00
  1.1443E+01 -1.0820E+01 -2.0124E+01
 -9.0114E+02  2.9217E+03 -2.3599E+02
HC            2308    1.008000    0.040000
  1.8505E+01  1.7780E+01  1.0759E+01
 -6.5851E+00 -5.5708E+00  2.1298E+01
  1.3051E+02 -2.2675E+03  2.2998E+03
HC            2309    1.008000    0.040000
  1.7909E+01  1.6514E+01  9.6909E+00
  1.5279E+01  3.5336E+00  1.1446E+01
  2.8853E+02  2.1664E+03 -1.7177E+03
HC            2310    1.008000    0.040000
  1.7045E+01  1.6636E+01  1.1075E+01
 -8.5327E+00 -1.9654E+01 -1.3408E+01
  2.5366E+03  2.2463E+03  2.3588E+03
CT            2311   12.011000    0.145000
 -1.3494E+01 -1.9699E+01  1.8357E+01
 -3.3670E+00  4.9473E-01 -3.8722E+00
  3.8475E+03  8.2521E+02  3.7561E+03
OH            2312    0.000000   -0.683000
 -1.2443E+01 -1.9856E+01  1.7430E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2313    1.008000    0.418000
 -1.2932E+01 -1.9878E+01  1.6621E+01
  8.8858E+00 -5.9305E+00 -5.3889E+00
  1.4917E+03  6.8855E+02 -8.0129E+02
HC            2314    1.008000    0.040000
 -1.3089E+01 -1.9319E+01  1.9295E+01
 -1.2318E+01 -8.8236E+00  4.0059E+00
  1.3035E+03 -2.3250E+03  6.7181E+02
HC            2315    1.008000    0.040000
 -1.3899E+01  2.0221E+01  1.8608E+01
  2.7696E+01 -9.8265E+00  1.1055E+01
 -5.2060E+02  1.7752E+03 -5.0454E+02
HC            2316    1.008000    0.040000
 -1.4216E+01 -1.8891E+01  1.8243E+01
 -3.3638E+00  2.7803E+00  1.0550E+01
 -3.0322E+02 -1.6652E+03 -3.6675E+03
CT            2317   12.011000    0.145000
 -8.0955E+00  3.2157E+00  1.3342E+01
  2.6767E+00  2.7054E+00 -5.0596E-01
  6.6188E+03 -6.3726E+03  1.7466E+03
OH            2318    0.000000   -0.683000
 -8.0245E+00  2.8841E+00  1.1974E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2319    1.008000    0.418000
 -7.6566E+00  2.0353E+00  1.1781E+01
  1.0497E+01  9.1268E-01  1.4344E+01
 -2.5805E+03 -2.3333E+03  6.2644E+03
HC            2320    1.008000    0.040000
 -8.2654E+00  4.2588E+00  1.3609E+01
  2.4268E+00 -6.9172E-01  1.3373E+01
 -5.8269E+02 -8.3131E+02 -2.6887E+02
HC            2321    1.008000    0.040000
 -7.0889E+00  2.9259E+00  1.3644E+01
 -3.3129E-01  3.9534E+00  1.1226E+01
  1.0524E+03  2.9850E+03  1.5336E+03
HC            2322    1.008000    0.040000
 -8.6184E+00  2.5280E+00  1.4007E+01
 -3.3199E+00  9.5227E+00  1.9641E+00
 -3.2014E+03  9.5795E+02 -1.2782E+03
CT            2323   12.011000    0.145000
 -1.3551E+01 -1.8524E+01 -8.9614E-01
  4.1893E+00  1.3620E-02  5.2731E+00
  8.2766E+03 -3.2542E+02  6.0879E+03
OH            2324    0.000000   -0.683000
 -1.3589E+01 -1.9933E+01 -8.7035E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2325    1.008000    0.418000
 -1.3833E+01 -2.0138E+01 -1.7601E+00
  1.7279E+01 -2.2106E+01 -5.2539E-01
  2.0794E+03 -5.4588E+03  9.5632E+02
HC            2326    1.008000    0.040000
 -1.3793E+01 -1.8089E+01  7.3161E-02
 -7.1717E+00  3.0069E+01 -9.7775E+00
  2.0330E+02  1.0165E+03 -1.1432E+03
HC            2327    1.008000    0.040000
 -1.4111E+01 -1.8049E+01 -1.7016E+00
  2.0525E+01 -1.5063E+01 -1.6158E+01
 -1.5483E+03 -1.0079E+03  3.1013E+03
HC            2328    1.008000    0.040000
 -1.2518E+01 -1.8394E+01 -1.2193E+00
  2.8028E-01 -3.4638E+01 -2.8520E+01
 -1.9021E+03  1.6306E+03  1.1484E+03
CT            2329   12.011000    0.145000
  8.9504E+00  1.2701E+01 -4.3324E-01
 -2.8566E+00 -1.6565E+00  2.0784E+00
  2.2971E+02  1.7794E+02 -7.2646E+02
OH            2330    0.000000   -0.683000
  9.3696E+00  1.1430E+01 -8.7726E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2331    1.008000    0.418000
  9.2852E+00  1.0815E+01 -1.6475E-01
  6.9352E+00 -2.9547E-01  6.3563E-01
 -2.3913E+03  1.7582E+03  1.0458E+03
HC            2332    1.008000    0.040000
  9.2605E+00  1.3637E+01 -8.9769E-01
  1.9153E+00 -4.2626E+00 -6.0653E-02
  1.8784E+03 -2.6386E+03 -4.1875E+03
HC            2333    1.008000    0.040000
  9.4128E+00  1.2841E+01  5.4385E-01
 -6.6499E+00 -1.5127E+01  6.0177E+00
 -4.2376E+03 -9.5078E+02  1.9790E+03
HC            2334    1.008000    0.040000
  7.8631E+00  1.2703E+01 -5.1070E-01
 -7.2353E+00 -9.3881E+00  4.1883E+01
  5.5047E+02  3.6977E+02  4.8780E+03
CT            2335   12.011000    0.145000
 -1.9943E+01  7.4997E+00  1.1981E+01
  2.3479E+00 -9.0678E-01  1.7222E+00
 -5.8367E+02  3.2569E+03 -1.3991E+03
OH            2336    0.000000   -0.683000
 -1.9219E+01  7.1724E+00  1.0816E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2337    1.008000    0.418000
 -1.8356E+01  7.4613E+00  1.1072E+01
  1.6354E+00  2.0146E+01 -2.4373E+01
  1.4576E+03 -4.0531E+03 -4.2087E+03
HC            2338    1.008000    0.040000
 -1.9378E+01  7.0384E+00  1.2791E+01
  3.5054E+00 -3.2392E+00 -3.9901E-01
 -2.5885E+03  2.6426E+02  1.5787E+03
HC            2339    1.008000    0.040000
  1.9934E+01  7.1775E+00  1.1789E+01
  8.6361E+00 -1.4323E+01 -1.1309E+01
  2.6452E+02 -8.0594E+02  2.5284E+03
HC            2340    1.008000    0.040000
 -1.9791E+01  8.5791E+00  1.1977E+01
  1.7054E+01 -2.6486E+00  1.1594E+01
 -1.5930E+03  2.1039E+02  2.9270E+03
CT            2341   12.011000    0.145000
  2.0314E+01  1.4345E+01 -4.9625E+00
  4.7258E+00  1.8269E+00 -3.8801E+00
  1.6920E+03 -2.2807E+03  1.2438E+03
OH            2342    0.000000   -0.683000
  1.9936E+01  1.3346E+01 -5.8828E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2343    1.008000    0.418000
  1.9353E+01  1.3765E+01 -6.4972E+00
  8.4836E+00  8.4127E+00 -2.5626E+00
 -1.1665E+03 -4.3567E+01  1.4240E+03
HC            2344    1.008000    0.040000
 -2.0022E+01  1.3989E+01 -4.1005E+00
  2.0513E+01 -5.0030E+00 -1.6502E+01
 -6.1414E+02 -3.0095E+03 -1.0204E+03
HC            2345    1.008000    0.040000
  1.9449E+01  1.4871E+01 -4.5580E+00
 -1.2430E+00  8.7585E+00 -2.4399E+01
  1.8428E+02  1.0940E+03 -2.2113E+03
HC            2346    1.008000    0.040000
 -1.9821E+01  1.4990E+01 -5.3944E+00
  8.3604E-02  1.3721E+00 -1.3028E+01
 -2.3895E+03  1.8899E+03 -1.1786E+03
CT            2347   12.011000    0.145000
 -4.4988E+00  1.0395E+01 -4.3433E+00
 -1.9207E+00  3.3311E+00 -4.8310E+00
 -1.1940E+03  8.2983E+01 -7.1928E+03
OH            2348    0.000000   -0.683000
 -3.1659E+00  1.0773E+01 -4.6043E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2349    1.008000    0.418000
 -2.9933E+00  1.1237E+01 -5.4096E+00
  5.6869E+00 -8.8062E+00 -4.0052E+00
 -3.3044E+03  5.1916E+02 -1.1073E+02
HC            2350    1.008000    0.040000
 -4.7225E+00  9.5407E+00 -4.9824E+00
 -2.0103E+01 -6.8260E+00  1.3882E+01
 -3.9018E+02 -1.0665E+03  1.8072E+03
HC            2351    1.008000    0.040000
 -5.2089E+00  1.1145E+01 -4.6921E+00
 -7.0554E+00  3.4090E+00  5.4127E+00
 -1.9616E+02  1.1202E+03  2.0894E+03
HC            2352    1.008000    0.040000
 -4.6968E+00  1.0067E+01 -3.3229E+00
  5.8004E+00 -8.2117E+00 -6.8510E+00
  4.5117E+02  6.4599E+02 -5.0012E+02
CT            2353   12.011000    0.145000
  1.6706E+01  1.1044E+01 -9.1201E+00
 -1.9950E+00 -3.1438E+00 -5.5292E-01
 -2.8947E+03  5.3088E+03  2.4384E+03
OH            2354    0.000000   -0.683000
  1.6363E+01  1.1493E+01 -1.0412E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2355    1.008000    0.418000
  1.5569E+01  1.1019E+01 -1.0605E+01
 -7.3615E+00  7.7006E+00  1.0223E+01
 -8.6864E+02  9.4021E+02  1.7877E+03
HC            2356    1.008000    0.040000
  1.7574E+01  1.1605E+01 -8.7750E+00
  1.9127E+00 -1.3063E+01  6.1969E+00
  1.8754E+03 -3.0911E+03  5.9106E+02
HC            2357    1.008000    0.040000
  1.6755E+01  9.9607E+00 -9.0105E+00
  1.4268E+01 -2.7462E+00 -1.4941E+00
  1.6809E+03  6.8109E+02  3.0237E+02
HC            2358    1.008000    0.040000
  1.5904E+01  1.1455E+01 -8.5072E+00
  4.4854E-01 -1.1088E+01  8.2128E+00
 -4.6685E+02 -2.0613E+03  1.5294E+03
CT            2359   12.011000    0.145000
  9.3250E+00 -2.0237E+01 -6.2983E+00
  1.4930E+00 -6.7250E+00 -2.2599E+00
 -4.6183E+02  9.1977E+02 -1.4448E+02
OH            2360    0.000000   -0.683000
  9.1505E+00 -1.9819E+01 -7.6336E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2361    1.008000    0.418000
  8.9456E+00  2.0321E+01 -8.1574E+00
 -8.3862E+00  1.8252E+01 -2.5159E+01
 -4.0879E+02  9.0188E+02  8.6751E+02
HC            2362    1.008000    0.040000
  9.2953E+00 -1.9320E+01 -5.7107E+00
  1.8223E+01 -1.2998E+01  9.1461E+00
 -1.7442E+02 -1.6013E+03  2.0220E+03
HC            2363    1.008000    0.040000
  1.0299E+01  2.0181E+01 -6.2119E+00
 -4.2030E+00 -1.8300E+01 -7.0035E-01
 -9.4827E+00  6.1950E+02  4.3765E+02
HC            2364    1.008000    0.040000
  8.5471E+00  1.9948E+01 -6.0287E+00
  1.8029E+00 -3.7570E+00  6.8409E+00
 -1.4355E+02  5.6979E+02  7.6826E+02
CT            2365   12.011000    0.145000
 -8.8222E-01 -1.0293E+01 -1.2366E+01
 -1.2666E+00 -1.2786E+00 -2.8750E+00
 -8.8594E+02 -4.4435E+02 -1.5069E+03
OH            2366    0.000000   -0.683000
 -3.2773E-01 -9.2149E+00 -1.3086E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2367    1.008000    0.418000
 -5.2713E-02 -8.5102E+00 -1.2519E+01
  4.9493E+01 -2.7303E+00 -1.5852E+01
  9.2799E+02 -2.1056E+03 -2.0850E+03
HC            2368    1.008000    0.040000
 -1.7401E+00 -1.0027E+01 -1.1749E+01
  1.4668E+01  2.2096E+00  1.8961E+01
  1.6023E+03  1.2218E+03  7.5708E+02
HC            2369    1.008000    0.040000
 -1.0508E-01 -1.0774E+01 -1.1772E+01
  1.2952E+01  1.5883E+00 -1.8394E+01
  5.3559E+02  2.1084E+03  1.0544E+02
HC            2370    1.008000    0.040000
 -1.2056E+00 -1.1152E+01 -1.2954E+01
  1.1962E+01 -1.0089E+01  2.2502E+00
  3.7621E+02  1.4784E+03 -1.9765E+03
CT            2371   12.011000    0.145000
 -1.3639E+00  7.8454E+00 -3.0523E+00
 -1.6860E+00  5.2928E+00 -4.7116E+00
  2.2469E+03 -8.2471E+02  7.0730E+02
OH            2372    0.000000   -0.683000
 -1.0379E+00  6.9868E+00 -4.1221E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2373    1.008000    0.418000
 -1.1697E+00  6.1565E+00 -3.6905E+00
 -3.1509E+00  5.0064E+00  8.9355E+00
  2.1117E+03 -1.2036E+03 -2.2974E+03
HC            2374    1.008000    0.040000
 -2.4019E+00  8.0530E+00 -2.7922E+00
 -1.0583E+01 -2.6496E+01 -1.0534E+01
 -3.5955E+02 -1.8045E+03 -3.9631E+03
HC            2375    1.008000    0.040000
 -8.0211E-01  8.7585E+00 -3.2491E+00
 -2.0146E+00  1.1912E+00 -2.7369E+01
 -6.0835E+02 -4.5418E+02 -2.3760E+03
HC            2376    1.008000    0.040000
 -9.8107E-01  7.4027E+00 -2.1327E+00
  1.3064E+01 -1.0127E+00 -1.3524E+01
  1.4030E+03 -2.0968E+02 -7.7209E+02
CT            2377   12.011000    0.145000
 -4.2200E+00  2.0814E+00  1.5341E+01
 -5.5141E-01 -5.9830E+00 -5.2391E+00
  1.9368E+01 -1.8975E+03 -7.6722E+02
OH            2378    0.000000   -0.683000
 -3.0636E+00  1.4977E+00  1.5898E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2379    1.008000    0.418000
 -2.6807E+00  2.2550E+00  1.6313E+01
 -1.4054E+01  3.9594E+00  6.3430E+00
  2.9284E+03 -2.4212E+03  5.7487E+02
HC            2380    1.008000    0.040000
 -4.7334E+00  2.6968E+00  1.6080E+01
  5.0975E+00  2.2712E+00 -8.0423E+00
  1.1838E+03  1.7939E+03 -8.9657E+02
HC            2381    1.008000    0.040000
 -4.9506E+00  1.3638E+00  1.4967E+01
 -3.2742E+00 -2.1208E-01 -1.1211E+01
  1.2417E+03 -3.6827E+02 -1.9271E+03
HC            2382    1.008000    0.040000
 -3.6892E+00  2.6599E+00  1.4585E+01
 -2.4066E+01  2.1667E+01 -2.3442E+00
 -5.4901E+03  2.2617E+03 -1.2213E+03
CT            2383   12.011000    0.145000
  1.9963E+01 -1.7658E+01 -8.8926E+00
 -3.4354E-01 -1.5129E+00 -8.5290E-01
  5.1216E+02  9.4859E+02  6.8649E+02
OH            2384    0.000000   -0.683000
  1.9498E+01 -1.8229E+01 -7.6898E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2385    1.008000    0.418000
  1.8866E+01 -1.7582E+01 -7.4138E+00
  1.7237E+00  9.6054E+00 -1.7137E+01
 -2.9336E+02 -9.1297E+02 -7.5721E+01
HC            2386    1.008000    0.040000
  2.0207E+01 -1.6618E+01 -8.6784E+00
 -1.7289E+01  2.2501E+00  1.6085E+00
 -2.3220E+02 -7.7705E+01 -2.5071E+02
HC            2387    1.008000    0.040000
  1.9131E+01 -1.7615E+01 -9.5954E+00
 -4.8285E+00  1.6264E+01  5.0310E+00
  1.1497E+03 -1.8634E+02 -6.5344E+02
HC            2388    1.008000    0.040000
 -2.0016E+01 -1.8087E+01 -9.2857E+00
  9.9113E+00 -5.3800E+00  2.5361E+01
 -1.4306E+03 -1.9098E+03  7.6262E+02
CT            2389   12.011000    0.145000
 -1.0289E+01  1.4543E+01  9.3349E+00
 -6.0139E+00 -2.8553E+00  4.6594E-01
 -1.3864E+03 -1.4771E+03  3.5099E+02
OH            2390    0.000000   -0.683000
 -9.9302E+00  1.3635E+01  8.3170E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2391    1.008000    0.418000
 -1.0744E+01  1.3385E+01  7.9072E+00
 -9.7541E+00  8.0262E+00  1.3618E+01
 -1.2879E+03  2.1656E+02  2.8074E+03
HC            2392    1.008000    0.040000
 -9.5962E+00  1.5365E+01  9.5111E+00
  2.7164E-01 -1.1835E+01  2.0640E+01
  4.7485E+01 -8.4178E+02 -2.3910E+02
HC            2393    1.008000    0.040000
 -1.0486E+01  1.4035E+01  1.0279E+01
 -4.3951E+00 -1.2146E+00  1.6923E+00
  1.5367E+03 -1.1973E+02  3.7658E+02
HC            2394    1.008000    0.040000
 -1.1270E+01  1.4916E+01  9.0400E+00
  9.6341E-01  8.5677E+00 -9.2111E+00
  2.4235E+03  6.2837E+03 -3.3825E+02
CT            2395   12.011000    0.145000
 -9.7292E+00 -4.5103E+00 -2.0189E+01
  4.1633E+00  1.8136E+00  1.5359E+00
 -5.7025E+03 -4.5980E+03  3.9572E+03
OH            2396    0.000000   -0.683000
 -9.0800E+00 -5.7095E+00  2.0352E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2397    1.008000    0.418000
 -9.6540E+00 -6.4563E+00  2.0428E+01
 -7.6891E+00  6.9051E+00  1.3603E+01
 -9.8717E+02  1.1909E+03  3.1261E+03
HC            2398    1.008000    0.040000
 -1.0812E+01 -4.5898E+00 -2.0289E+01
  4.8544E+00  1.1870E+01 -1.9206E+01
  3.2009E+01  7.6989E+02 -5.1240E+03
HC            2399    1.008000    0.040000
 -9.3548E+00 -3.6548E+00  2.0149E+01
  2.5783E+00  5.1044E+00  5.4381E+00
 -4.3192E+02  1.2931E+03  2.8931E+03
HC            2400    1.008000    0.040000
 -9.8221E+00 -4.4503E+00 -1.9105E+01
 -2.9776E+00  1.5565E+01  3.8587E-01
  4.8389E+03  3.5014E+03  3.2611E+02
CT            2401   12.011000    0.145000
 -1.4106E+01  1.8143E+01  1.0346E+01
  1.2187E+00 -4.5803E+00  1.4728E+00
  2.5334E+03 -1.8001E+03  2.7193E+03
OH            2402    0.000000   -0.683000
 -1.3033E+01  1.8140E+01  9.4310E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2403    1.008000    0.418000
 -1.2304E+01  1.8121E+01  1.0033E+01
 -2.3716E+00 -3.0459E+01  3.4698E+00
 -4.2065E-01  5.5352E+02 -1.7277E+03
HC            2404    1.008000    0.040000
 -1.4498E+01  1.9098E+01  1.0696E+01
  9.8034E+00  2.0490E+00 -6.4547E+00
 -1.5280E+03  6.1335E+02 -4.1713E+03
HC            2405    1.008000    0.040000
 -1.3627E+01  1.7904E+01  1.1295E+01
 -5.6591E+00 -1.6606E+00  5.7498E+00
 -1.3380E+03 -3.1806E+03  1.4945E+02
HC            2406    1.008000    0.040000
 -1.4782E+01  1.7331E+01  1.0080E+01
  7.0472E+00 -9.6707E+00  1.9779E+00
 -1.9648E+03  1.5916E+03  1.0511E+03
CT            2407   12.011000    0.145000
  9.6032E+00  1.2321E+01  1.5613E+01
 -3.3413E+00  7.0651E-01 -4.0146E+00
  1.6096E+03  1.4327E+03 -6.2143E+03
OH            2408    0.000000   -0.683000
  9.7160E+00  1.0954E+01  1.5285E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2409    1.008000    0.418000
  1.0258E+01  1.0626E+01  1.5987E+01
 -1.7768E+00 -6.5322E+00 -1.6151E+00
 -1.3868E+03 -2.5305E+03 -9.7090E+01
HC            2410    1.008000    0.040000
  8.9080E+00  1.2399E+01  1.6449E+01
 -1.9735E+00 -9.8574E+00 -1.7520E+00
  9.8119E+02  2.9767E+03 -3.8515E+02
HC            2411    1.008000    0.040000
  9.3611E+00  1.2900E+01  1.4722E+01
 -3.1247E+00  2.5249E+00 -2.8963E+00
 -5.5973E+03 -1.3163E+03  1.9947E+02
HC            2412    1.008000    0.040000
  1.0512E+01  1.2911E+01  1.5733E+01
 -6.1675E+00  9.8135E-02  3.0150E+01
  1.6693E+03 -4.2830E+03  5.0296E+03
CT            2413   12.011000    0.145000
  4.2786E+00  5.3301E+00 -8.7166E+00
 -1.3639E+00 -6.1570E+00 -6.0132E+00
 -8.2762E+02  1.3603E+03 -1.6714E+03
OH            2414    0.000000   -0.683000
  2.8906E+00  5.4277E+00 -8.4890E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2415    1.008000    0.418000
  2.7224E+00  5.9900E+00 -7.7483E+00
  2.0307E+00  1.4795E+01 -1.0324E+01
  3.6057E+03  4.6431E+02  5.5902E+01
HC            2416    1.008000    0.040000
  4.4090E+00  5.1796E+00 -9.7882E+00
 -3.3969E+01 -1.2938E+01 -1.0078E+01
 -5.6121E+02 -1.7062E+03  1.0352E+03
HC            2417    1.008000    0.040000
  4.7861E+00  4.5722E+00 -8.1199E+00
  1.3240E+01  1.4660E+01  9.4951E+00
 -9.0312E+02  8.9508E+02  1.1142E+02
HC            2418    1.008000    0.040000
  4.8408E+00  6.2398E+00 -8.5055E+00
  1.8435E+01 -2.0774E+01  8.0648E+00
 -8.4273E+02 -7.0057E+02  2.0567E+03
CT            2419   12.011000    0.145000
 -9.1186E+00  4.0457E+00 -9.8811E+00
 -3.1057E+00  3.7597E+00 -9.4999E+00
 -5.2061E+03  2.5110E+03 -2.0874E+03
OH            2420    0.000000   -0.683000
 -8.8985E+00  5.3601E+00 -9.4208E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2421    1.008000    0.418000
 -9.7650E+00  5.7282E+00 -9.5028E+00
 -9.4765E+00 -1.8499E+01  1.0482E+01
  1.1486E+03  9.8564E+02  2.7874E+02
HC            2422    1.008000    0.040000
 -9.7342E+00  4.1603E+00 -1.0773E+01
 -2.2886E+01  4.6773E+01  6.8608E+00
  3.5349E+02  5.5477E+02  2.0133E+03
HC            2423    1.008000    0.040000
 -9.7129E+00  3.6477E+00 -9.0585E+00
  2.8088E+01  1.4363E+01  2.0584E+01
  2.4089E+03 -2.4314E+03 -1.8249E+03
HC            2424    1.008000    0.040000
 -8.2620E+00  3.4137E+00 -1.0115E+01
 -4.8963E+00 -1.4247E+01  2.5815E+01
  3.6548E+02  8.3855E+02  5.1144E+03
CT            2425   12.011000    0.145000
 -5.6597E+00  1.6594E+01 -1.5613E+01
 -3.7733E+00 -3.5303E+00 -1.8163E+00
  2.7965E+03  2.1569E+03  2.9818E+03
OH            2426    0.000000   -0.683000
 -4.6871E+00  1.5573E+01 -1.5634E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2427    1.008000    0.418000
 -4.5628E+00  1.5300E+01 -1.4738E+01
 -1.1282E+01 -1.2792E+01 -2.0118E+00
  3.0025E+02  1.7061E+02 -3.4345E+02
HC            2428    1.008000    0.040000
 -5.4842E+00  1.7392E+01 -1.6335E+01
 -9.5235E+00  6.1470E+00  7.2080E+00
  1.0595E+03 -3.2265E+02  2.4070E+02
HC            2429    1.008000    0.040000
 -5.4966E+00  1.6968E+01 -1.4603E+01
  1.0770E+01 -2.3886E+01  4.0148E+00
  1.9270E+02  1.7012E+03 -1.1277E+03
HC            2430    1.008000    0.040000
 -6.7356E+00  1.6419E+01 -1.5617E+01
 -4.5284E+00 -1.1031E+00  1.5852E+01
  1.4032E+03 -4.4079E+03 -2.9624E+02
CT            2431   12.011000    0.145000
  6.4965E+00 -1.9680E+01  1.0077E+01
 -4.7283E+00 -3.9110E-01 -1.5226E+00
 -3.0687E+03  4.1903E+02  1.2546E+03
OH            2432    0.000000   -0.683000
  6.4453E+00  1.9907E+01  1.0589E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2433    1.008000    0.418000
  6.8859E+00  1.9873E+01  1.1425E+01
  8.4825E+00  3.0196E+01 -2.0698E+00
  1.2501E+03  3.9979E+03 -1.0945E+03
HC            2434    1.008000    0.040000
  6.0557E+00 -1.9078E+01  1.0871E+01
  4.1923E+00 -2.8668E+00  5.4757E+00
  8.6949E+02  2.0206E+03 -9.7393E+02
HC            2435    1.008000    0.040000
  5.8245E+00 -1.9640E+01  9.2196E+00
 -2.3135E+01 -1.5669E+00  1.2235E+01
 -1.2277E+03  7.8637E+02  1.3707E+03
HC            2436    1.008000    0.040000
  7.4418E+00 -1.9279E+01  9.7115E+00
  8.3103E+00 -2.0762E+01  7.9900E+00
  1.4462E+03 -2.1304E+03  3.0538E+03
CT            2437   12.011000    0.145000
 -5.8381E+00  2.0427E+01 -1.0139E+01
  1.0533E+00  2.8246E+00 -5.3758E-02
  3.7699E+01 -1.1260E+03  3.9276E+03
OH            2438    0.000000   -0.683000
 -7.1478E+00 -1.9984E+01 -9.9547E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2439    1.008000    0.418000
 -7.7773E+00  2.0211E+01 -9.9422E+00
 -1.0926E+01  9.5147E+00  7.5142E+00
  6.7135E+02 -1.2789E+02 -1.4282E+03
HC            2440    1.008000    0.040000
 -5.1055E+00 -1.9673E+01 -1.0032E+01
 -9.5386E+00  1.2312E+01  3.5463E+00
 -7.4968E+02  3.9055E+02  2.7927E+02
HC            2441    1.008000    0.040000
 -5.5767E+00  1.9816E+01 -1.1003E+01
 -1.8566E+01 -2.4234E+00 -2.7650E+00
 -3.7456E+03  1.5974E+03 -1.7884E+03
HC            2442    1.008000    0.040000
 -5.6456E+00  1.9708E+01 -9.3434E+00
  1.2028E+01 -3.4744E-01 -5.3762E+00
  2.0114E+02  1.0678E+03  1.0983E+03
CT            2443   12.011000    0.145000
  2.5624E+00  8.2832E+00  2.6981E+00
  4.8889E+00  4.9933E+00  2.2178E-01
  5.0691E+03  4.9344E+03  5.3039E+03
OH            2444    0.000000   -0.683000
  1.5517E+00  9.2570E+00  2.8331E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2445    1.008000    0.418000
  9.0346E-01  8.9936E+00  2.1979E+00
 -8.5378E+00  2.1786E+01 -1.1880E+00
 -2.4202E+03  5.7326E+02  2.9630E+03
HC            2446    1.008000    0.040000
  3.4161E+00  8.8157E+00  3.1173E+00
  5.5689E+00  1.4058E+01 -1.2116E+01
  1.8054E+03 -8.0844E+02 -1.2987E+03
HC            2447    1.008000    0.040000
  2.7940E+00  8.0260E+00  1.6645E+00
  1.2816E+01 -2.2931E+01  8.0731E+00
 -3.3670E+01 -2.0060E+03  1.5590E+03
HC            2448    1.008000    0.040000
  2.4016E+00  7.4518E+00  3.3843E+00
 -6.7563E+00 -3.0528E+00 -1.1753E+01
 -2.0589E+02 -2.1217E+03 -2.9347E+03
CT            2449   12.011000    0.145000
 -1.6303E+01  2.8534E+00  5.5182E+00
 -4.5778E+00  5.9915E+00  2.4401E-01
  1.2830E+03  1.3264E+03 -7.3795E+02
OH            2450    0.000000   -0.683000
 -1.6484E+01  2.7624E+00  4.1229E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2451    1.008000    0.418000
 -1.7063E+01  3.4776E+00  3.9081E+00
  7.1342E+00  4.5263E+00 -4.5950E+00
 -2.6563E+02 -1.0543E+03 -2.3769E+03
HC            2452    1.008000    0.040000
 -1.5812E+01  3.8081E+00  5.7076E+00
  4.4428E+00 -2.6219E-01  9.4906E+00
 -8.1210E+02  7.3803E+01  1.5165E+03
HC            2453    1.008000    0.040000
 -1.5575E+01  2.1038E+00  5.8279E+00
 -7.7661E-01  1.5649E+01  1.5814E+01
 -1.9562E+03 -1.1188E+03  4.9129E+02
HC            2454    1.008000    0.040000
 -1.7278E+01  2.7524E+00  5.9942E+00
 -8.0761E+00 -1.3292E+01 -9.9892E+00
  1.2513E+03 -6.1381E+02  1.0668E+03
CT            2455   12.011000    0.145000
  1.9225E+01 -1.5014E+01  3.6106E+00
 -4.5021E+00  5.2795E+00 -8.2168E+00
 -3.5169E+03  1.0519E+03 -6.5701E+03
OH            2456    0.000000   -0.683000
  1.7952E+01 -1.5422E+01  4.0594E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2457    1.008000    0.418000
  1.7892E+01 -1.5263E+01  4.9889E+00
 -1.3689E+00 -3.7703E+01  7.9970E+00
  2.0569E+03  1.3551E+02 -1.6063E+03
HC            2458    1.008000    0.040000
  1.9291E+01 -1.5213E+01  2.5410E+00
 -7.8082E+00  1.0074E+01 -9.3470E+00
  4.9515E+02 -1.8850E+03 -4.5566E+01
HC            2459    1.008000    0.040000
  2.0082E+01 -1.5479E+01  4.0978E+00
  8.9728E-01  2.2857E+01 -1.1609E-01
 -4.3977E+02  2.2169E+03  1.2898E+03
HC            2460    1.008000    0.040000
  1.9208E+01 -1.3925E+01  3.5609E+00
 -2.6984E+00  5.8574E+00  1.7449E+00
  2.7541E+03  3.2994E+02  3.2262E+03
CT            2461   12.011000    0.145000
 -1.2079E+01 -7.7060E+00 -3.4348E+00
 -5.8225E+00 -4.5969E+00 -8.7089E-01
  6.6243E+02  2.4126E+02 -4.8377E+03
OH            2462    0.000000   -0.683000
 -1.1193E+01 -8.8011E+00 -3.5082E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2463    1.008000    0.418000
 -1.1045E+01 -9.0636E+00 -2.6126E+00
  4.5687E+00  1.4783E+01  3.8598E+00
 -1.4272E+03 -3.8553E+03 -1.5319E+03
HC            2464    1.008000    0.040000
 -1.1524E+01 -6.9002E+00 -2.9541E+00
 -1.2494E+01 -6.0218E+00  9.5350E+00
 -2.7960E+03  7.9447E+02  1.5260E+03
HC            2465    1.008000    0.040000
 -1.3041E+01 -7.9572E+00 -2.9882E+00
  7.1469E+00 -8.7710E+00  2.6854E+01
  1.7319E+03  2.2897E+03  3.2503E+03
HC            2466    1.008000    0.040000
 -1.2337E+01 -7.3706E+00 -4.4392E+00
 -1.2238E+01  1.0185E+01  5.4200E+00
  1.1282E+03  1.0758E+03 -6.7748E+01
CT            2467   12.011000    0.145000
 -3.1618E+00  2.0543E+00 -8.7512E+00
 -3.0783E+00 -3.1796E+00 -8.3799E-01
  3.9328E+03 -5.8216E+03 -2.5526E+03
OH            2468    0.000000   -0.683000
 -3.2762E+00  2.5207E+00 -1.0077E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2469    1.008000    0.418000
 -2.7934E+00  3.3331E+00 -1.0080E+01
  9.3893E+00 -5.3004E+00  9.1077E+00
 -1.5621E+03  5.7126E+02 -3.2862E+02
HC            2470    1.008000    0.040000
 -2.1222E+00  2.0116E+00 -8.4265E+00
 -5.4581E+00  9.1171E+00  9.1917E+00
  3.4687E+02  1.9440E+03 -4.4426E+02
HC            2471    1.008000    0.040000
 -3.4355E+00  1.0008E+00 -8.6932E+00
 -2.7756E+01  3.3070E+00  3.8556E+01
 -2.8988E+03  1.9478E+03  1.7455E+03
HC            2472    1.008000    0.040000
 -3.6431E+00  2.6142E+00 -7.9493E+00
  5.6062E+00 -7.0866E+00  7.2980E+00
 -2.0217E+03  2.5943E+02 -2.5868E+03
CT            2473   12.011000    0.145000
 -2.3929E+00  2.4067E+00  1.8039E+00
  2.5268E+00  3.8535E+00 -2.0845E+00
 -7.6465E+03  5.7876E+03 -1.9657E+03
OH            2474    0.000000   -0.683000
 -2.2931E+00  3.0195E+00  3.0698E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2475    1.008000    0.418000
 -2.8507E+00  3.7694E+00  3.2103E+00
 -8.9768E+00 -7.8142E+00  7.4994E+00
 -1.6249E+02  1.6679E+02 -4.0455E+03
HC            2476    1.008000    0.040000
 -3.4455E+00  2.1272E+00  1.8472E+00
  5.3969E+00 -7.2022E+00 -6.3424E-01
  2.6686E+02 -3.2667E+03 -2.5930E+03
HC            2477    1.008000    0.040000
 -1.7427E+00  1.5729E+00  1.5390E+00
  2.6360E+01  1.8570E+01  6.8261E+00
  4.8230E+02  1.8310E+03  8.3838E+02
HC            2478    1.008000    0.040000
 -2.3756E+00  3.2759E+00  1.1464E+00
  2.5159E+01  5.2094E+00 -4.8402E-01
  3.2137E+03 -2.4336E+03 -3.5013E+03
CT            2479   12.011000    0.145000
  1.9007E+01 -9.2904E+00 -7.6005E-01
  5.6266E-01 -4.8714E-01 -3.5237E-01
 -1.4059E+03  9.0825E+02  9.8630E+02
OH            2480    0.000000   -0.683000
  1.8065E+01 -9.6689E+00 -1.7387E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2481    1.008000    0.418000
  1.8388E+01 -9.5173E+00 -2.6137E+00
 -5.0589E+00 -1.3701E+01 -4.5104E+00
  1.7510E+03  3.3805E+02  1.0680E+03
HC            2482    1.008000    0.040000
  1.9136E+01 -8.2156E+00 -6.3318E-01
  4.4651E+00 -8.4187E-01 -1.2033E+00
  1.4307E+03  3.1292E+02 -3.5943E+03
HC            2483    1.008000    0.040000
  1.9928E+01 -9.8155E+00 -1.0124E+00
  2.9585E+00  2.1866E+00  2.7424E+00
  1.1574E+03  1.3140E+03  2.1102E+03
HC            2484    1.008000    0.040000
  1.8654E+01 -9.4839E+00  2.5288E-01
 -5.7166E+00  2.1995E+00 -1.9793E+00
 -3.8134E+01 -3.3992E+03 -6.6101E+02
CT            2485   12.011000    0.145000
  6.3813E-01  9.5925E+00  1.4699E+01
 -9.2180E-01  9.4181E-01 -1.5234E+00
  3.3993E+03 -3.6519E+03  5.1848E+03
OH            2486    0.000000   -0.683000
  1.8803E+00  1.0096E+01  1.4261E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2487    1.008000    0.418000
  2.5898E+00  9.4769E+00  1.4341E+01
  1.5515E+01  1.6011E+01 -6.8983E+00
 -3.2287E+03 -2.0652E+03  9.3124E+02
HC            2488    1.008000    0.040000
  4.4012E-01  1.0036E+01  1.5675E+01
  5.2679E+00  1.9484E+01 -8.2617E+00
  8.3350E+02 -2.1569E+02  9.2858E+01
HC            2489    1.008000    0.040000
  6.4790E-01  8.5143E+00  1.4858E+01
 -6.2522E+00  3.2875E+00  1.7066E+01
  2.8777E+03  1.3585E+02  4.8572E+02
HC            2490    1.008000    0.040000
 -3.2339E-01  9.6179E+00  1.4186E+01
  4.8758E+00 -1.9613E+00 -1.2871E+01
  3.0250E+03  4.8443E+03 -4.3204E+03
CT            2491   12.011000    0.145000
  1.2196E+01  1.0214E+01  1.7657E+01
 -1.1420E-02  3.7287E-01  3.3613E+00
  2.4489E+02 -3.3057E+03 -3.3471E+03
OH            2492    0.000000   -0.683000
  1.0796E+01  1.0041E+01  1.7668E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2493    1.008000    0.418000
  1.0683E+01  9.3297E+00  1.8279E+01
  2.8235E+00 -3.0132E+00 -2.9426E+00
 -5.4181E+02 -1.3182E+03 -1.6456E+03
HC            2494    1.008000    0.040000
  1.2654E+01  1.1122E+01  1.8050E+01
 -9.2064E+00  5.1909E+00  3.2364E+00
 -1.9597E+03  1.3717E+02  9.7152E+02
HC            2495    1.008000    0.040000
  1.2226E+01  1.0153E+01  1.6569E+01
 -1.1175E+01 -1.6088E+01  3.6132E+00
  4.6397E+03 -4.7074E+02  4.4183E+02
HC            2496    1.008000    0.040000
  1.2498E+01  9.2829E+00  1.8136E+01
 -2.9207E+01 -9.4772E+00  4.6159E+00
  2.8671E+03  1.7229E+03 -1.1084E+03
CT            2497   12.011000    0.145000
  4.7278E+00  5.0068E+00 -3.0800E+00
 -3.0234E+00  1.4423E+00 -2.8856E-01
  5.1560E+03 -2.4604E+03  9.8503E+02
OH            2498    0.000000   -0.683000
  5.2802E+00  6.2385E+00 -2.6726E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2499    1.008000    0.418000
  6.2072E+00  6.1679E+00 -2.8421E+00
 -2.9499E+00  3.4968E+00 -2.0100E+01
 -3.1929E+02  2.8174E+03 -1.0312E+03
HC            2500    1.008000    0.040000
  4.2407E+00  4.8777E+00 -4.0465E+00
 -4.1510E+00 -1.4353E+01  2.1232E+00
  6.9027E+01  2.4460E+03  3.6309E+02
HC            2501    1.008000    0.040000
  4.1253E+00  4.4917E+00 -2.3318E+00
 -9.6837E+00 -4.0273E+00 -9.2119E+00
 -3.2281E+02  1.0018E+03  8.4938E+01
HC            2502    1.008000    0.040000
  5.6542E+00  4.4330E+00 -3.1083E+00
 -2.0990E-01  2.3398E+00  3.3342E+01
 -1.5934E+03 -1.3289E+03 -2.0366E+02
CT            2503   12.011000    0.145000
 -8.7593E+00  1.9054E+01 -7.0681E+00
 -1.3057E+00  9.3518E-01 -2.6023E+00
 -1.5252E+03  4.3133E+03 -7.1084E+03
OH            2504    0.000000   -0.683000
 -9.5337E+00  1.9982E+01 -6.3424E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2505    1.008000    0.418000
 -1.0415E+01  1.9672E+01 -6.1996E+00
  4.6983E+00 -2.1473E+01 -1.3131E+01
  1.4644E+03 -3.8194E+03 -1.2157E+03
HC            2506    1.008000    0.040000
 -9.2363E+00  1.9238E+01 -8.0308E+00
  1.4069E+01  1.3124E+01 -8.3198E+00
  6.9774E+02 -1.6065E+03 -8.9601E+02
HC            2507    1.008000    0.040000
 -8.7526E+00  1.7968E+01 -6.9718E+00
 -1.9791E+01  1.1020E+00  4.6680E+00
 -1.8504E+03  9.5291E+02  4.2994E+03
HC            2508    1.008000    0.040000
 -7.7590E+00  1.9446E+01 -7.2519E+00
  5.0390E+00 -1.2980E+01  9.1112E-01
  6.4568E+02 -1.1865E+03  1.0230E+03
CT            2509   12.011000    0.145000
  1.2557E+01  1.3813E+01  6.8737E+00
  5.5678E+00  1.8254E+00 -5.6747E-01
  4.4947E+02  4.0591E+02  1.9089E+03
OH            2510    0.000000   -0.683000
  1.3009E+01  1.2532E+01  7.2534E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2511    1.008000    0.418000
  1.2638E+01  1.2480E+01  8.1211E+00
  1.2848E+01  2.6273E+00  5.8834E+00
 -8.3706E+02 -3.3302E+03 -9.4146E+02
HC            2512    1.008000    0.040000
  1.1467E+01  1.3810E+01  6.8685E+00
  4.7126E+00  1.5196E+00  2.7439E+01
  6.1201E+02  1.0056E+03  1.6372E+03
HC            2513    1.008000    0.040000
  1.2883E+01  1.4225E+01  5.9191E+00
 -8.9746E+00  1.0275E+01 -2.1850E+00
 -1.6072E+03  3.4944E+02 -7.1233E+01
HC            2514    1.008000    0.040000
  1.2939E+01  1.4525E+01  7.6048E+00
 -1.5511E+01  2.5734E+01 -1.1276E+01
 -2.8728E+03  8.9098E+02 -2.6244E+02
CT            2515   12.011000    0.145000
 -4.9589E+00 -1.7583E+01 -1.7147E+00
 -4.4612E+00  2.8793E+00 -5.6697E+00
 -3.3563E+03 -1.2702E+03  4.6611E+02
OH            2516    0.000000   -0.683000
 -5.4207E+00 -1.6584E+01 -8.3331E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2517    1.008000    0.418000
 -5.5208E+00 -1.7035E+01 -9.3560E-03
  1.3001E+01 -1.6851E+01 -7.0493E+00
 -4.1779E+02 -8.5673E+02 -1.0600E+03
HC            2518    1.008000    0.040000
 -4.4210E+00 -1.7205E+01 -2.5844E+00
  1.0204E+01  2.2221E+01  1.0801E+01
 -1.8166E+03  1.2991E+03  6.4030E+02
HC            2519    1.008000    0.040000
 -5.8080E+00 -1.8175E+01 -2.0554E+00
  1.9144E+01 -1.8165E+01 -3.3048E+01
  1.5440E+03  2.6142E+02 -5.6127E+02
HC            2520    1.008000    0.040000
 -4.3047E+00 -1.8335E+01 -1.2738E+00
 -5.9199E+00  1.7233E+01  2.3368E+01
 -4.5885E+02  2.2212E+03  2.8580E+03
CT            2521   12.011000    0.145000
  5.9008E+00 -3.2446E+00  5.6126E+00
 -1.7196E+00 -3.6265E+00 -1.1315E+00
 -7.8260E+02 -1.2368E+03 -6.6343E+02
OH            2522    0.000000   -0.683000
  6.6384E+00 -3.2148E+00  4.4113E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2523    1.008000    0.418000
  6.1009E+00 -2.7354E+00  3.7995E+00
 -1.3055E+01  7.8187E+00  1.6758E+01
 -3.4005E+03 -4.1806E+03  5.1779E+02
HC            2524    1.008000    0.040000
  5.2958E+00 -2.3410E+00  5.6870E+00
  1.9721E+01  1.2085E+01 -7.5611E+00
  5.9331E+02 -3.3075E+02 -1.1652E+03
HC            2525    1.008000    0.040000
  6.5296E+00 -3.2938E+00  6.5015E+00
  3.0830E+01 -1.2359E+01 -2.2832E+01
  9.8472E+02 -5.9012E+02 -2.2716E+03
HC            2526    1.008000    0.040000
  5.2731E+00 -4.1355E+00  5.6337E+00
  1.1118E+00 -5.5930E+00  1.8034E+01
 -1.3919E+02  3.9062E+02 -1.8056E+02
CT            2527   12.011000    0.145000
  2.7863E+00 -3.0084E+00 -1.9931E+01
 -2.5080E-01 -4.8749E+00  4.1645E-01
 -1.0902E+03 -5.9095E+03 -1.8583E+03
OH            2528    0.000000   -0.683000
  4.0913E+00 -3.1153E+00  2.0446E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2529    1.008000    0.418000
  4.6617E+00 -3.1885E+00 -1.9705E+01
  1.3144E+01 -9.3491E+00 -1.0419E+01
  3.9619E+02  1.7341E+03 -6.5890E+02
HC            2530    1.008000    0.040000
  1.9156E+00 -3.1415E+00  2.0327E+01
 -3.4676E+01  2.4114E+01  3.5970E+01
  2.7227E+03  2.4590E+03  5.4575E+02
HC            2531    1.008000    0.040000
  2.5772E+00 -2.1070E+00 -1.9355E+01
 -5.2005E+00  2.4721E+00 -1.2452E+01
  6.1230E+02 -3.5311E+02 -5.3620E+02
HC            2532    1.008000    0.040000
  2.6799E+00 -3.8857E+00 -1.9293E+01
  9.9669E+00  2.9116E+00  1.3346E+01
  1.7837E+02  1.1785E+03  1.9106E+03
CT            2533   12.011000    0.145000
 -1.4324E+01 -1.0650E+01 -2.0365E+01
 -2.2684E+00 -6.2304E+00 -3.6747E-01
 -1.7489E+03  2.4751E+03 -2.5776E+02
OH            2534    0.000000   -0.683000
 -1.4321E+01 -1.0561E+01  1.9128E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2535    1.008000    0.418000
 -1.4948E+01 -9.9824E+00  1.8722E+01
  2.0386E+01  8.9161E-01 -3.4224E+01
  4.5750E+02 -1.6637E+03  1.2200E+03
HC            2536    1.008000    0.040000
 -1.3868E+01 -1.1569E+01 -1.9997E+01
 -1.2165E+01 -1.4736E+01 -8.6895E+00
  4.2499E+02  7.4152E+02 -1.5519E+02
HC            2537    1.008000    0.040000
 -1.5297E+01 -1.0602E+01 -1.9876E+01
  3.1859E+00 -2.5184E+01  1.3516E+01
 -7.4308E+02 -2.6683E+03 -1.9779E+03
HC            2538    1.008000    0.040000
 -1.3867E+01 -9.7469E+00 -1.9961E+01
  4.0902E+00 -4.8738E+00 -1.0243E+01
  2.7544E+03 -1.2522E+03 -2.5711E+02
CT            2539   12.011000    0.145000
 -1.2075E+00 -1.3643E+01  5.0986E+00
 -7.5838E+00 -1.4578E+00 -3.0209E+00
 -5.5981E+03 -7.4325E+02  1.1308E+03
OH            2540    0.000000   -0.683000
 -1.4946E+00 -1.2264E+01  5.1769E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2541    1.008000    0.418000
 -6.3716E-01 -1.1901E+01  5.0167E+00
  3.2944E+00 -5.5201E+00  4.7056E+00
 -9.3316E+02  1.0660E+03 -1.6938E+03
HC            2542    1.008000    0.040000
 -4.1450E-01 -1.3906E+01  5.7984E+00
 -1.6727E+00  3.0617E+00 -7.9033E+00
  6.9253E+02 -5.8056E+02 -1.4737E+03
HC            2543    1.008000    0.040000
 -9.8335E-01 -1.3980E+01  4.0866E+00
  2.9825E+01 -7.6266E-02  3.3808E+00
  2.2236E+03  7.1354E+02  1.4516E+03
HC            2544    1.008000    0.040000
 -2.1402E+00 -1.4080E+01  5.4544E+00
 -8.2460E+00  8.3994E+00  7.9869E+00
  6.2439E+02 -1.7318E+03  7.1202E+01
CT            2545   12.011000    0.145000
  1.1121E+01  2.6573E+00 -9.3087E+00
 -6.0471E+00  2.6338E+00 -7.0114E-01
  2.3575E+03 -3.2213E+03  1.5047E+03
OH            2546    0.000000   -0.683000
  1.1178E+01  3.1253E+00 -7.9799E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2547    1.008000    0.418000
  1.0311E+01  3.0628E+00 -7.6105E+00
  7.6069E-01 -6.2283E+00  8.4121E-01
  1.1304E+03 -2.7925E+03  2.2159E+03
HC            2548    1.008000    0.040000
  1.1501E+01  1.6418E+00 -9.1967E+00
  1.4320E+01  1.1359E+01  1.6279E+01
 -5.7779E+02  2.1457E+02 -9.7602E+02
HC            2549    1.008000    0.040000
  1.1838E+01  3.1102E+00 -9.9933E+00
 -3.4334E+00 -1.8340E+01 -1.2702E+01
 -2.9025E+02  3.6385E+02  1.0591E+03
HC            2550    1.008000    0.040000
  1.0163E+01  2.5839E+00 -9.8222E+00
 -1.5398E+00 -1.8022E+01 -7.1153E+00
 -1.0879E+01  1.3108E+03  1.6018E+03
CT            2551   12.011000    0.145000
 -1.3808E+01  4.8369E+00 -1.3460E+01
  8.6325E+00  5.2730E-01 -8.3847E-01
  4.0888E+02  3.1007E+01 -8.1652E+02
OH            2552    0.000000   -0.683000
 -1.3880E+01  4.0331E+00 -1.4616E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2553    1.008000    0.418000
 -1.3241E+01  3.3558E+00 -1.4778E+01
  4.9577E+00  2.1331E-01  1.6803E+01
  4.9299E+03  1.9738E+03  9.9430E+03
HC            2554    1.008000    0.040000
 -1.4380E+01  5.6849E+00 -1.3837E+01
 -1.3336E+01 -6.4851E+00  1.4624E+01
 -2.4764E+03 -6.7407E+02  3.1927E+03
HC            2555    1.008000    0.040000
 -1.2947E+01  5.3976E+00 -1.3096E+01
  2.1080E+01 -1.4439E+01 -6.1108E+00
  4.9946E+03 -5.0874E+03 -3.7082E+03
HC            2556    1.008000    0.040000
 -1.4280E+01  4.3526E+00 -1.2605E+01
  2.6815E+00 -1.7968E+01 -1.3957E+01
 -9.5832E+02  2.3322E+02 -1.0693E+03
CT            2557   12.011000    0.145000
 -1.7208E+01  3.4546E+00 -1.2039E+01
  1.8867E+00 -7.6306E-01 -4.8850E-01
  6.9486E+03 -1.7454E+03 -7.2299E+02
OH            2558    0.000000   -0.683000
 -1.7353E+01  2.4659E+00 -1.1044E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2559    1.008000    0.418000
 -1.8156E+01  2.6535E+00 -1.0583E+01
  6.9480E+00 -2.3335E+01  2.4172E+01
  7.7151E+02 -2.6804E+03  5.2785E+02
HC            2560    1.008000    0.040000
 -1.6954E+01  4.4561E+00 -1.1692E+01
  1.8970E+00  1.3899E+00 -6.5865E+00
 -5.3169E+02 -7.3092E+02  2.1152E+03
HC            2561    1.008000    0.040000
 -1.7790E+01  3.5826E+00 -1.2952E+01
  7.6091E+00 -2.4810E+01 -8.2426E+00
 -4.9238E+03 -3.3693E+03  3.7877E+03
HC            2562    1.008000    0.040000
 -1.6335E+01  3.1459E+00 -1.2613E+01
  4.0580E+00 -3.6588E-01  2.5736E+00
  1.6421E+03 -8.5818E+01  1.5041E+03
CT            2563   12.011000    0.145000
 -2.5462E+00  2.8016E-01 -1.7713E+01
 -4.1481E+00  6.4537E+00  2.7746E+00
  4.2061E+03  5.1956E+03  2.7032E+03
OH            2564    0.000000   -0.683000
 -2.3672E+00  9.1969E-01 -1.8956E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2565    1.008000    0.418000
 -1.7453E+00  1.6286E+00 -1.8895E+01
  5.0371E+00 -4.3551E+00 -3.4298E-03
 -9.8684E+02  6.5664E+02  1.0910E+03
HC            2566    1.008000    0.040000
 -3.5493E+00  6.3810E-01 -1.7480E+01
  1.2067E+00  1.2793E+01  1.7339E+01
  3.1955E+02 -2.4713E+03  3.7232E+03
HC            2567    1.008000    0.040000
 -1.7716E+00  7.7147E-01 -1.7124E+01
  1.3031E+00  2.3799E+01 -1.7604E+01
 -2.1172E+03  1.3903E+03  1.2552E+03
HC            2568    1.008000    0.040000
 -2.3565E+00 -7.7494E-01 -1.7515E+01
 -1.4530E+01  3.6319E+00 -1.6494E+00
 -2.1746E+03 -8.7657E+02 -4.3323E+03
CT            2569   12.011000    0.145000
 -1.8126E+01 -1.2962E+01  1.2565E+00
  5.9855E+00  9.6514E+00  6.6208E-01
 -1.6384E+03  4.1173E+03 -5.2813E+03
OH            2570    0.000000   -0.683000
 -1.7221E+01 -1.3471E+01  3.0287E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2571    1.008000    0.418000
 -1.7392E+01 -1.2976E+01 -4.8333E-01
 -7.5367E+00  2.7539E+01  1.7568E+01
 -4.3827E+02 -3.1710E+02  1.2562E+03
HC            2572    1.008000    0.040000
 -1.8019E+01 -1.1877E+01  1.2895E+00
 -1.1658E+01  1.1467E+01  1.0463E+01
 -2.3002E+02 -2.0046E+01  1.7611E+03
HC            2573    1.008000    0.040000
 -1.8059E+01 -1.3386E+01  2.2582E+00
 -2.3137E+00  3.3541E+00 -1.3397E+00
 -7.1537E+02  5.2415E+02 -4.2832E+02
HC            2574    1.008000    0.040000
 -1.9107E+01 -1.3172E+01  8.3105E-01
  7.2562E+00 -1.9855E+01  1.0045E+01
 -3.3210E+02 -5.5934E+02  2.2771E+03
CT            2575   12.011000    0.145000
 -5.2688E-01  1.7384E+01  7.8621E+00
  2.0742E+00 -5.5476E+00 -9.3557E-01
  2.8333E+03 -1.9733E+03 -2.3157E+03
OH            2576    0.000000   -0.683000
  5.1727E-01  1.7626E+01  8.7781E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2577    1.008000    0.418000
  3.3740E-01  1.7407E+01  9.6796E+00
  8.4805E+00 -4.4390E+00  7.1578E-01
 -8.0212E+02 -8.9894E+02 -4.9913E+02
HC            2578    1.008000    0.040000
 -1.3544E+00  1.8016E+01  8.1845E+00
  1.1408E+01  1.7535E+01 -1.9258E+01
 -1.0714E+03 -1.2826E+03 -4.0563E+03
HC            2579    1.008000    0.040000
 -7.2158E-01  1.6365E+01  7.5263E+00
 -6.9448E+00 -5.0005E+00  2.3590E+00
 -3.2130E+03 -1.4469E+03  5.6614E+03
HC            2580    1.008000    0.040000
 -8.1949E-02  1.7631E+01  6.8982E+00
  4.7903E+00  1.8816E+01  5.8877E+00
 -2.4106E+03  6.0971E+03  3.4192E+02
CT            2581   12.011000    0.145000
  1.2659E+01 -6.0390E+00  1.3967E+01
 -2.0556E+00  4.1012E+00 -1.6120E+00
 -2.1701E+03  4.8659E+03 -6.2126E+02
OH            2582    0.000000   -0.683000
  1.3934E+01 -5.4446E+00  1.3869E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2583    1.008000    0.418000
  1.4442E+01 -6.2383E+00  1.3798E+01
  6.6000E+00  5.4441E+00 -2.1229E+01
  3.8697E+03  2.9609E+03 -2.4161E+03
HC            2584    1.008000    0.040000
  1.2073E+01 -5.3815E+00  1.4609E+01
  3.2786E+00  1.0654E+01 -3.3338E+00
 -1.0514E+03 -2.6790E+02 -3.2829E+02
HC            2585    1.008000    0.040000
  1.2689E+01 -7.0467E+00  1.4382E+01
  1.2017E+01  1.3240E+00 -8.7584E+00
  4.7109E+02  3.1500E+02 -8.1185E+02
HC            2586    1.008000    0.040000
  1.2198E+01 -5.9723E+00  1.2982E+01
 -2.8213E+01  2.1174E+01  1.0656E+01
 -8.1439E+02 -1.5378E+03  1.2778E+03
CT            2587   12.011000    0.145000
  4.9592E+00  1.8842E+01 -1.1540E+01
  3.6303E+00 -1.3410E+00 -3.9219E+00
 -2.3500E+03 -6.9364E+03  2.0201E+03
OH            2588    0.000000   -0.683000
  3.9231E+00  1.8856E+01 -1.2497E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2589    1.008000    0.418000
  3.6847E+00  1.8098E+01 -1.3008E+01
  1.1539E+01  6.1448E+00 -1.5289E+01
  3.6325E+03 -3.4003E+03  4.7314E+03
HC            2590    1.008000    0.040000
  4.6139E+00  1.8213E+01 -1.0720E+01
  9.3385E+00 -7.6072E+00 -6.2298E+00
  5.1526E+02 -6.6119E+02  3.3301E+02
HC            2591    1.008000    0.040000
  5.0997E+00  1.9818E+01 -1.1076E+01
  1.3474E+01 -6.9692E+00  5.3822E+00
  2.9906E+03 -1.9775E+02 -2.0602E+03
HC            2592    1.008000    0.040000
  5.8042E+00  1.8308E+01 -1.1974E+01
 -2.1444E+00 -8.3015E+00 -6.8025E+00
  1.7472E+03  2.4277E+03  8.3333E+02
CT            2593   12.011000    0.145000
 -1.8275E+01 -8.9078E+00 -1.1497E+01
  9.4387E-01  1.1119E+00  4.3054E+00
  2.6072E+03  1.9902E+03  2.5999E+03
OH            2594    0.000000   -0.683000
 -1.7443E+01 -1.0041E+01 -1.1391E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2595    1.008000    0.418000
 -1.7123E+01 -1.0010E+01 -1.0503E+01
 -1.3083E+01  1.0021E+01  4.6814E+00
 -1.5781E+02 -1.7352E+03 -2.9676E+02
HC            2596    1.008000    0.040000
 -1.9099E+01 -8.9254E+00 -1.0784E+01
 -1.3024E+01  1.3179E+01 -1.0741E+01
 -1.3402E+03 -1.8195E+02 -2.1196E+03
HC            2597    1.008000    0.040000
 -1.8598E+01 -8.8018E+00 -1.2533E+01
 -1.3361E+01 -1.4988E+01  6.6623E+00
 -1.3231E+03 -3.4374E+02  9.8547E+02
HC            2598    1.008000    0.040000
 -1.7665E+01 -8.0677E+00 -1.1165E+01
 -5.0633E+00  7.1085E-01  1.6977E+01
 -5.4889E+02  8.7694E+02 -8.9864E+02
CT            2599   12.011000    0.145000
 -9.1176E+00 -4.4866E-02  3.7399E+00
  1.3724E+00 -4.7698E-01  4.3557E-01
 -4.6801E+02 -1.0410E+03  5.4073E+02
OH            2600    0.000000   -0.683000
 -9.2721E+00  6.3491E-01  4.9655E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2601    1.008000    0.418000
 -9.9680E+00  1.2103E+00  4.6872E+00
 -1.2476E+01 -1.4172E+01  6.1541E-01
 -1.6574E+03 -1.1104E+03  2.6725E+03
HC            2602    1.008000    0.040000
 -9.8441E+00 -8.1877E-01  3.4920E+00
 -9.2806E+00  6.2521E+00  9.6615E+00
 -2.0638E+03  9.3466E+02  2.9920E+03
HC            2603    1.008000    0.040000
 -8.1852E+00 -6.0420E-01  3.6636E+00
 -3.3952E+00 -8.0675E+00 -3.4325E+00
  1.4496E+03  2.6804E+03  1.2133E+03
HC            2604    1.008000    0.040000
 -9.2867E+00  6.9621E-01  2.9587E+00
  5.4805E+00 -6.2837E+00 -6.0808E+00
  2.8587E+03 -7.0005E+02 -1.1357E+03
CT            2605   12.011000    0.145000
 -7.6691E-01 -1.2305E+01  1.2318E+01
  3.4128E+00 -6.9490E-01  9.9216E-01
  1.6855E+03 -3.8355E+03  5.2145E+03
OH            2606    0.000000   -0.683000
 -7.6503E-01 -1.3450E+01  1.1496E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2607    1.008000    0.418000
 -5.7705E-01 -1.2986E+01  1.0695E+01
  1.8092E+01 -2.4220E+01 -1.1089E+01
 -1.0349E+03 -4.2530E+03 -1.8724E+03
HC            2608    1.008000    0.040000
  1.1560E-01 -1.1673E+01  1.2218E+01
  1.4874E+00  1.0631E+00 -5.3655E+00
  3.3938E+02 -9.1285E+02 -1.4128E+03
HC            2609    1.008000    0.040000
 -7.0528E-01 -1.2693E+01  1.3335E+01
  3.7144E+00  3.4220E+00  2.5638E+00
 -1.6071E+03  1.0576E+03  1.0643E+03
HC            2610    1.008000    0.040000
 -1.6362E+00 -1.1654E+01  1.2222E+01
 -6.2968E+00 -1.1850E+01  1.0164E+01
 -4.5090E+02 -1.5987E+03 -2.0979E+02
CT            2611   12.011000    0.145000
 -5.5642E+00  4.8843E+00 -1.1178E+01
 -2.3955E+00  3.4255E+00  2.0302E-02
 -1.3549E+03 -3.7171E+03 -7.4665E+03
OH            2612    0.000000   -0.683000
 -4.5141E+00  5.6171E+00 -1.1768E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2613    1.008000    0.418000
 -3.7172E+00  5.2730E+00 -1.1395E+01
  6.7363E+00 -1.1143E+01 -2.2786E+01
 -1.4568E+02  2.1439E+03  1.1010E+02
HC            2614    1.008000    0.040000
 -5.3976E+00  3.9275E+00 -1.1673E+01
 -1.5264E+01 -4.6190E+00  1.0556E+01
  5.9395E+02 -3.1852E+03  5.4181E+03
HC            2615    1.008000    0.040000
 -6.4780E+00  5.1457E+00 -1.1712E+01
 -1.4246E+01  1.8879E+00  1.8637E+01
 -2.9131E+03  2.6302E+03  5.6479E+03
HC            2616    1.008000    0.040000
 -5.3890E+00  4.9336E+00 -1.0103E+01
  2.6823E+01 -5.2426E+00 -3.4708E+00
 -3.8893E+03 -1.5447E+03 -1.2297E+03
CT            2617   12.011000    0.145000
  9.9482E+00 -1.2518E+01  1.2931E+01
 -2.7874E+00  1.4585E+00  4.3299E+00
 -6.4417E+01 -1.8464E+03 -3.4915E+03
OH            2618    0.000000   -0.683000
  1.0149E+01 -1.3798E+01  1.3485E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2619    1.008000    0.418000
  1.0969E+01 -1.3755E+01  1.3952E+01
  2.4024E+00 -2.3301E+01 -8.8098E-01
 -6.3582E+02 -4.6080E+02  4.9847E+01
HC            2620    1.008000    0.040000
  9.5414E+00 -1.1766E+01  1.3608E+01
  1.4713E+01  2.5436E+01 -1.0153E+01
 -1.0049E+03 -7.8563E+02 -1.8858E+03
HC            2621    1.008000    0.040000
  9.3728E+00 -1.2802E+01  1.2050E+01
 -4.6512E+00  2.8582E+00  5.0882E+00
 -3.7600E+03  3.0578E+03  1.1305E+03
HC            2622    1.008000    0.040000
  1.0811E+01 -1.2043E+01  1.2463E+01
 -1.6727E+00  1.2448E+01  1.6925E+01
  1.4137E+03 -4.8936E+02  2.3605E+03
CT            2623   12.011000    0.145000
 -1.0083E+01 -5.1535E+00  9.5411E-01
 -3.4574E+00 -6.8293E+00  6.0886E+00
 -2.1154E+03  1.5441E+03  1.2374E+03
OH            2624    0.000000   -0.683000
 -9.4888E+00 -4.4742E+00  2.0376E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2625    1.008000    0.418000
 -8.8369E+00 -3.9053E+00  1.6574E+00
  9.8547E+00 -1.5650E+01 -7.5712E+00
  1.6433E+03 -1.5299E+03  1.3029E+03
HC            2626    1.008000    0.040000
 -1.0759E+01 -5.9807E+00  1.1706E+00
 -1.6303E+01 -8.3561E+00 -3.2276E+01
  2.3523E+03  9.6558E+01 -1.9840E+02
HC            2627    1.008000    0.040000
 -9.2744E+00 -5.4059E+00  2.6777E-01
  1.6788E+01  7.9014E+00  2.3175E+01
 -1.2467E+03 -1.0850E+03  8.0961E+02
HC            2628    1.008000    0.040000
 -1.0749E+01 -4.4145E+00  5.0917E-01
  6.3555E+00 -4.6646E+00 -5.5442E+00
  1.2331E+03 -1.8324E+02 -2.3303E+03
CT            2629   12.011000    0.145000
 -1.4890E+01  1.1418E+01  6.5049E+00
  1.3790E+00 -3.3174E+00 -2.0193E+00
  2.2226E+03 -3.8049E+03 -3.3970E+03
OH            2630    0.000000   -0.683000
 -1.6043E+01  1.1437E+01  5.6935E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2631    1.008000    0.418000
 -1.6416E+01  1.0594E+01  5.9002E+00
 -1.9638E+01  9.6280E+00  6.3171E+00
 -1.6676E+03  1.2176E+03  2.8229E+02
HC            2632    1.008000    0.040000
 -1.4212E+01  1.0674E+01  6.0857E+00
  2.0251E+01  1.3547E+01 -2.9169E+00
  8.8268E+01  8.0132E+02 -1.0495E+03
HC            2633    1.008000    0.040000
 -1.4968E+01  1.1049E+01  7.5275E+00
  1.3089E+00  2.0905E+01  7.3705E+00
 -3.3610E+03  2.2094E+03 -1.0039E+02
HC            2634    1.008000    0.040000
 -1.4248E+01  1.2297E+01  6.5542E+00
  1.4473E+00 -3.8760E+00  9.9688E+00
 -2.0143E+03  1.1013E+03 -1.0161E+03
CT            2635   12.011000    0.145000
  2.4345E+00  7.4320E+00 -1.3729E+00
 -8.1803E-01 -7.6885E+00 -1.1263E+01
 -3.5421E+02  4.2811E+03  2.1832E+03
OH            2636    0.000000   -0.683000
  3.1240E+00  8.4320E+00 -2.0890E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2637    1.008000    0.418000
  3.8774E+00  7.8756E+00 -2.2146E+00
  1.3514E+01  1.0943E+01  2.5138E+01
  2.1328E+03  5.4048E+03 -3.1995E+03
HC            2638    1.008000    0.040000
  1.4512E+00  7.6934E+00 -9.8196E-01
  7.0093E-01 -2.2007E+01  3.1957E+00
 -7.1944E+02  6.7302E+02 -3.5100E+03
HC            2639    1.008000    0.040000
  2.8330E+00  7.2346E+00 -3.7773E-01
  3.3446E+00  2.6195E+01 -4.9994E+00
  3.6887E+03  2.2927E+03 -1.9133E+03
HC            2640    1.008000    0.040000
  2.4663E+00  6.4384E+00 -1.8198E+00
  8.2732E+00 -1.3995E+00 -2.5315E+01
 -1.5140E+03  1.8377E+03 -2.7632E+03
CT            2641   12.011000    0.145000
 -8.5424E+00  1.0751E+01 -5.9366E+00
  1.1156E+00 -1.6594E+00 -9.6423E-01
  1.7142E+03 -7.1987E+03 -3.6505E+03
OH            2642    0.000000   -0.683000
 -8.3344E+00  1.0160E+01 -4.6735E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2643    1.008000    0.418000
 -8.4912E+00  9.2281E+00 -4.7000E+00
 -2.3342E+01  2.7303E+00  1.3925E+01
  8.3641E+01  8.2886E+02 -4.0085E+02
HC            2644    1.008000    0.040000
 -7.6127E+00  1.0559E+01 -6.4724E+00
 -1.3477E+01 -1.6251E+01 -2.2753E+01
 -2.3070E+02  4.0715E+03 -3.9801E+02
HC            2645    1.008000    0.040000
 -8.8789E+00  1.1776E+01 -5.7838E+00
  7.5894E+00  1.1482E+00 -5.1114E+00
  2.0714E+03  2.1436E+01 -3.7488E+02
HC            2646    1.008000    0.040000
 -9.1847E+00  1.0110E+01 -6.5410E+00
  4.7375E+00 -2.9406E+01  2.2387E+01
 -1.9748E+03  1.5653E+03  2.0013E+03
CT            2647   12.011000    0.145000
 -1.5365E+01  2.0377E+01  1.5432E+01
  1.5437E+00 -1.8853E+00 -3.7687E+00
 -5.9309E+02  3.9998E+02 -3.1640E+03
OH            2648    0.000000   -0.683000
 -1.4404E+01 -1.9497E+01  1.5318E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2649    1.008000    0.418000
 -1.4808E+01 -1.8850E+01  1.4760E+01
  1.1449E+01  4.8297E+00 -2.9876E+00
  2.3635E+03 -1.6884E+02 -1.8113E+03
HC            2650    1.008000    0.040000
 -1.5241E+01  1.9667E+01  1.6249E+01
  2.1877E+01 -3.8775E+00 -8.0383E+00
  2.7836E+03  1.1316E+03 -3.2249E+01
HC            2651    1.008000    0.040000
 -1.5414E+01  1.9764E+01  1.4532E+01
 -1.2226E+01 -1.5203E+01  5.5542E+00
  1.6749E+03 -4.3479E+01  2.8682E+02
HC            2652    1.008000    0.040000
 -1.6396E+01 -2.0172E+01  1.5471E+01
  1.1473E+01  3.0139E+01 -1.1777E-01
  1.7710E+03  3.3502E+03  1.0688E+03
CT            2653   12.011000    0.145000
 -4.9036E+00 -5.1881E+00  2.0008E+01
  7.4505E-02  1.4383E-01 -2.5215E-01
  1.6302E+03  3.4048E+03 -2.2433E+03
OH            2654    0.000000   -0.683000
 -3.6209E+00 -5.7717E+00  2.0055E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2655    1.008000    0.418000
 -3.6157E+00 -6.4185E+00  1.9366E+01
 -5.0021E+00 -8.3146E+00  7.5470E+00
 -8.2234E+02  2.0249E+03 -1.5250E+03
HC            2656    1.008000    0.040000
 -4.8594E+00 -4.7124E+00  1.9028E+01
  1.0425E+01 -1.0647E+00 -4.8292E-01
 -2.7050E+03 -1.9490E+02 -3.0358E+02
HC            2657    1.008000    0.040000
 -4.9719E+00 -4.3507E+00 -2.0197E+01
  1.1189E+01  1.4451E+01 -1.5599E+01
 -7.8308E+02 -1.2457E+03  4.9400E+02
HC            2658    1.008000    0.040000
 -5.7299E+00 -5.8924E+00  2.0104E+01
 -1.3528E+01  1.6531E+01  8.4003E+00
 -2.9364E+01  1.1428E+03 -2.2930E+02
CT            2659   12.011000    0.145000
  5.7371E+00 -6.1140E+00  4.9073E-01
 -3.3503E+00 -3.7594E+00 -5.5646E+00
  3.2088E+03  2.1844E+03 -2.1919E+03
OH            2660    0.000000   -0.683000
  6.7156E+00 -7.1240E+00  5.9414E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2661    1.008000    0.418000
  7.4688E+00 -6.7915E+00  1.3041E-01
  7.2505E+00  2.5067E+00  1.3078E+01
  7.1183E+02 -5.1777E+02  1.1321E+03
HC            2662    1.008000    0.040000
  5.9115E+00 -5.5926E+00 -4.5042E-01
  6.4142E+00  2.1155E+01  9.0607E+00
 -2.0419E+03 -1.5690E+03 -2.8188E+02
HC            2663    1.008000    0.040000
  5.9121E+00 -5.2785E+00  1.1685E+00
 -9.9440E+00 -1.6223E+01  1.2264E+01
  5.2290E+00 -1.6187E+03  1.6540E+03
HC            2664    1.008000    0.040000
  4.7027E+00 -6.4320E+00  6.2090E-01
 -2.4681E+00 -1.6542E+00  8.0545E+00
  6.9758E+02 -5.0943E+02  1.4259E+02
CT            2665   12.011000    0.145000
  1.5956E+01  1.1906E+01 -2.7590E+00
  1.2328E+00 -2.0595E-01  5.0708E-01
 -3.8436E+03  1.4302E+03  6.7127E+03
OH            2666    0.000000   -0.683000
  1.5670E+01  1.0531E+01 -2.6244E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2667    1.008000    0.418000
  1.5618E+01  1.0222E+01 -3.5160E+00
  8.9221E+00 -4.6463E+00  9.7605E-01
 -1.3038E+03 -1.7494E+03  8.2154E+02
HC            2668    1.008000    0.040000
  1.5284E+01  1.2518E+01 -3.3597E+00
 -1.1255E+01  1.9955E+00  1.6053E+01
  5.6300E+02 -2.7575E+03 -2.2268E+03
HC            2669    1.008000    0.040000
  1.6983E+01  1.2267E+01 -2.8156E+00
 -2.6870E+00  1.4444E+01  1.5165E+01
 -2.8491E+02 -1.9089E+03 -4.5393E+02
HC            2670    1.008000    0.040000
  1.5580E+01  1.2231E+01 -1.7891E+00
  4.7755E+00 -1.1287E+01  5.7720E+00
  2.2141E+03  1.2595E+03  9.7204E+02
CT            2671   12.011000    0.145000
 -1.5138E+01 -1.5449E+01  2.2442E+00
  3.8945E-01  2.4395E+00 -5.9427E+00
 -2.3642E+02  2.5292E+03 -1.8494E+03
OH            2672    0.000000   -0.683000
 -1.6544E+01 -1.5483E+01  2.1453E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2673    1.008000    0.418000
 -1.6775E+01 -1.4770E+01  1.5698E+00
  2.0556E+01 -4.5917E+00 -1.5115E+01
  1.9877E+03 -1.6513E+03 -2.1956E+03
HC            2674    1.008000    0.040000
 -1.4718E+01 -1.5767E+01  1.2900E+00
  2.4309E+00 -1.5241E+01  4.7043E-01
  6.1932E+02 -1.9147E+03  1.0310E+03
HC            2675    1.008000    0.040000
 -1.4809E+01 -1.6073E+01  3.0754E+00
  4.7449E+00  6.9560E+00 -4.2303E+00
  6.6336E+02 -8.3334E+02 -1.2859E+03
HC            2676    1.008000    0.040000
 -1.4774E+01 -1.4452E+01  2.4901E+00
 -3.1680E+01  6.5654E+00  3.6266E+01
 -2.6929E+03 -1.4072E+03  3.0480E+02
CT            2677   12.011000    0.145000
 -1.1305E+01  5.6738E+00  1.4823E+01
  2.2514E-01 -1.6936E+00 -9.9329E-02
 -7.8478E+02  5.7105E+03  2.1149E+02
OH            2678    0.000000   -0.683000
 -1.2676E+01  5.5099E+00  1.4539E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2679    1.008000    0.418000
 -1.2775E+01  5.0818E+00  1.3702E+01
 -5.0863E+01  7.3776E-01  2.5068E+00
 -3.5721E+03  3.2962E+02  2.5213E+03
HC            2680    1.008000    0.040000
 -1.1055E+01  6.3709E+00  1.5623E+01
  1.9749E+01 -2.8543E+01  1.9037E+01
 -2.0857E+03 -6.2742E+02 -3.3207E+02
HC            2681    1.008000    0.040000
 -1.1015E+01  6.1020E+00  1.3863E+01
 -1.7198E+01 -2.2587E+01 -1.5706E+01
  2.9790E+03 -2.1734E+03  8.6638E+02
HC            2682    1.008000    0.040000
 -1.0694E+01  4.8442E+00  1.5178E+01
  1.6454E+00  3.2232E+00  9.2516E+00
 -1.7074E+03 -1.6435E+03 -2.9860E+03
CT            2683   12.011000    0.145000
 -1.5136E+01  1.6083E+01  1.8920E+01
  3.0102E+00 -7.9452E+00  5.5945E+00
 -3.3195E+02 -1.9052E+03  1.3334E+03
OH            2684    0.000000   -0.683000
 -1.6265E+01  1.6252E+01  1.9748E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2685    1.008000    0.418000
 -1.6585E+01  1.5407E+01  2.0024E+01
  7.7455E+00  4.2270E-01  1.0958E+01
  2.3410E+03 -1.4999E+03 -2.8484E+03
HC            2686    1.008000    0.040000
 -1.4396E+01  1.6828E+01  1.9211E+01
 -5.1759E+00  1.4959E+00  2.8150E+00
  3.1733E+02 -1.2235E+02 -1.4200E+03
HC            2687    1.008000    0.040000
 -1.5454E+01  1.6181E+01  1.7882E+01
 -1.5160E+01 -1.3194E+01  1.0284E+01
  5.9109E+02  2.2572E+01  3.5218E+02
HC            2688    1.008000    0.040000
 -1.4779E+01  1.5069E+01  1.9098E+01
  1.4740E-01 -1.1486E+01 -7.6955E+00
  1.2672E+03  1.2610E+02 -1.6131E+03
CT            2689   12.011000    0.145000
  7.5585E+00  3.2533E+00  1.9459E+01
 -2.3104E+00 -2.0549E+00  5.6549E-01
  1.3212E+03  2.6962E+03 -3.3740E+03
OH            2690    0.000000   -0.683000
  8.3396E+00  2.2244E+00  1.8894E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2691    1.008000    0.418000
  8.8722E+00  2.6263E+00  1.8224E+01
  9.9820E+00 -2.1924E+00  6.4094E+00
 -7.2941E+01 -1.9578E+03 -9.8437E+02
HC            2692    1.008000    0.040000
  7.4140E+00  3.3382E+00 -2.0364E+01
  2.0111E+01  1.5552E+01  2.9461E+00
  2.7160E+03 -8.8914E+02 -4.8405E+02
HC            2693    1.008000    0.040000
  6.6125E+00  3.2429E+00  1.8917E+01
 -1.1344E+01  9.0442E+00  1.5358E+01
 -1.5530E+03  1.4837E+03  2.8819E+03
HC            2694    1.008000    0.040000
  8.2690E+00  3.9813E+00  1.9067E+01
 -3.1572E+00 -4.2798E+00 -5.2052E+00
 -2.8586E+03  4.5108E+03  2.8358E+03
CT            2695   12.011000    0.145000
  1.8832E+01  1.9830E+01 -1.7921E+01
  3.9227E+00  1.7691E+00  3.4976E-02
 -1.1856E+03  8.5505E+02  7.9413E+02
OH            2696    0.000000   -0.683000
  1.9072E+01  1.9261E+01 -1.6653E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2697    1.008000    0.418000
  1.8283E+01  1.8789E+01 -1.6437E+01
  5.6420E+00 -1.5717E+01 -1.1758E+01
 -1.0309E+02  8.5349E+02 -5.9571E+02
HC            2698    1.008000    0.040000
  1.8110E+01 -2.0259E+01 -1.7831E+01
  1.2126E+01  8.4663E+00  7.3494E+00
 -1.4571E+03 -1.4287E+03 -3.1466E+02
HC            2699    1.008000    0.040000
  1.8442E+01  1.8946E+01 -1.8426E+01
 -1.3572E+01  2.5529E+00  1.1307E+01
 -2.5312E+02  2.4091E+03 -2.7704E+03
HC            2700    1.008000    0.040000
  1.9685E+01  2.0266E+01 -1.8440E+01
  9.0361E+00 -1.4679E+01 -6.0325E+00
  7.8896E+02 -1.5239E+03  6.3681E+02
CT            2701   12.011000    0.145000
 -3.4439E+00  1.2251E+00  1.0545E+01
 -2.0051E+00  5.0021E-01 -3.9078E+00
 -1.5580E+03 -8.5481E+02 -3.7607E+03
OH            2702    0.000000   -0.683000
 -2.1906E+00  1.4338E+00  9.9337E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2703    1.008000    0.418000
 -1.6939E+00  1.7978E+00  1.0651E+01
 -1.8757E+01 -7.6464E+00  1.7898E+01
  8.9504E+02 -3.4171E+02 -1.7369E+03
HC            2704    1.008000    0.040000
 -4.0155E+00  2.0946E+00  1.0870E+01
  3.4162E+00 -4.1069E+00  1.9876E+01
  1.5120E+03  4.4042E+01  7.4364E+02
HC            2705    1.008000    0.040000
 -3.4411E+00  4.6795E-01  1.1329E+01
 -5.2769E+00 -4.3023E+00 -8.4645E+00
  6.5573E+01  1.0320E+01 -3.1260E+02
HC            2706    1.008000    0.040000
 -3.8868E+00  8.3621E-01  9.6281E+00
  1.1364E+00 -1.5116E+00 -4.5874E+00
 -4.3679E+03 -7.2978E+02  2.1382E+03
CT            2707   12.011000    0.145000
  3.3123E+00  1.0093E+00 -6.7538E+00
 -1.7943E+00  8.4308E+00  8.8276E-01
  3.9651E+03 -4.3622E+03 -3.8654E+03
OH            2708    0.000000   -0.683000
  4.4978E+00  1.1747E+00 -6.0086E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2709    1.008000    0.418000
  5.2709E+00  1.3706E+00 -6.5155E+00
 -1.5427E-01 -1.1937E+01 -5.1825E+00
 -1.8692E+03 -1.6036E+02 -2.6606E+03
HC            2710    1.008000    0.040000
  2.6952E+00  2.6332E-01 -6.2530E+00
  1.2017E+01 -1.9466E+00  3.0471E+00
 -1.5470E+03  2.6476E+03  7.4554E+02
HC            2711    1.008000    0.040000
  3.5736E+00  4.1715E-01 -7.6308E+00
 -9.4241E+00  1.0860E+01 -3.1223E+00
  9.7925E+02  4.1846E+02 -5.5734E+02
HC            2712    1.008000    0.040000
  2.8282E+00  1.8536E+00 -7.2446E+00
  2.5132E+01  1.4496E+01 -1.7483E+01
  1.3372E+03  6.7080E+02  3.0053E+03
CT            2713   12.011000    0.145000
 -1.3489E+01  2.1163E+00  8.5349E+00
  8.2758E-01  5.6148E-01 -6.7299E-01
  2.6182E+02 -1.5786E+03 -2.2769E+03
OH            2714    0.000000   -0.683000
 -1.4509E+01  2.8543E+00  7.8991E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2715    1.008000    0.418000
 -1.4454E+01  3.7823E+00  8.0693E+00
 -3.2527E+01 -1.4349E-01  1.9879E+01
  5.0781E+02 -1.6934E+03  8.2974E+01
HC            2716    1.008000    0.040000
 -1.4064E+01  1.7159E+00  9.3698E+00
 -1.5676E+01 -1.5467E+01 -1.8703E+01
  4.7716E+03 -5.4175E+02  1.3185E+03
HC            2717    1.008000    0.040000
 -1.2570E+01  2.6850E+00  8.6756E+00
 -8.7019E+00  1.2508E+01  1.7229E+01
 -1.5341E+03  1.1499E+03  3.1743E+03
HC            2718    1.008000    0.040000
 -1.3127E+01  1.3351E+00  7.8668E+00
  9.4652E+00  1.1365E+01 -9.0090E+00
 -2.5880E+03 -2.1216E+03  1.5007E+03
CT            2719   12.011000    0.145000
  1.8815E+01 -1.4856E+01  1.5635E+01
 -3.6504E+00  3.2448E+00  3.2689E-01
  1.2596E+03 -1.7053E+03 -7.5307E+02
OH            2720    0.000000   -0.683000
  1.9325E+01 -1.4176E+01  1.4510E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2721    1.008000    0.418000
  1.8708E+01 -1.4459E+01  1.3853E+01
 -1.1278E+01  2.0962E+01  6.8553E-01
  1.2048E+03  1.5382E+03 -1.0189E+03
HC            2722    1.008000    0.040000
  1.7810E+01 -1.4676E+01  1.6016E+01
  2.1311E+00  1.4620E+01  1.0916E+01
  2.5050E+02  3.3346E+03 -1.9141E+03
HC            2723    1.008000    0.040000
  1.9451E+01 -1.4827E+01  1.6520E+01
 -1.2742E+01 -2.5818E+01  8.9406E+00
  1.5953E+02 -1.1605E+03 -1.1242E+03
HC            2724    1.008000    0.040000
  1.8733E+01 -1.5872E+01  1.5248E+01
  7.6618E+00  3.7142E+00 -3.6816E+00
  2.2741E+03 -1.1819E+03  2.5020E+03
CT            2725   12.011000    0.145000
  7.6525E+00 -1.3221E+01  1.7316E+01
  4.2558E+00  4.2298E+00 -3.5566E+00
  4.3523E+02  1.0315E+03 -1.4184E+03
OH            2726    0.000000   -0.683000
  6.6803E+00 -1.2201E+01  1.7378E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2727    1.008000    0.418000
  6.6653E+00 -1.1851E+01  1.6501E+01
  6.0034E+00  1.6736E+00  5.1944E-01
  9.1958E+02  1.2689E+03  5.0530E+02
HC            2728    1.008000    0.040000
  7.9443E+00 -1.3801E+01  1.8191E+01
  4.8950E+01  3.3211E+01  4.0747E+00
 -2.1312E+03  3.6361E+03 -3.9831E+02
HC            2729    1.008000    0.040000
  8.6224E+00 -1.2800E+01  1.7051E+01
  1.6800E+01 -1.3796E+01  1.1091E+01
 -1.7400E+02 -4.7117E+02  6.0884E+02
HC            2730    1.008000    0.040000
  7.4175E+00 -1.3921E+01  1.6514E+01
 -2.6858E+00  5.4281E+00 -2.6307E+00
 -8.0296E+02  5.4030E+02 -2.3485E+02
CT            2731   12.011000    0.145000
 -1.7010E+01  8.7735E+00 -1.8169E+01
 -4.0619E+00 -9.3010E-01  7.6486E-01
 -1.6719E+03  5.0100E+03 -4.9425E+03
OH            2732    0.000000   -0.683000
 -1.7050E+01  9.7797E+00 -1.7182E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2733    1.008000    0.418000
 -1.7888E+01  1.0194E+01 -1.7321E+01
  1.8523E-01  1.9297E+00  4.4677E+00
  3.9875E+02  9.9955E+02  6.2974E+02
HC            2734    1.008000    0.040000
 -1.7017E+01  9.4387E+00 -1.9033E+01
  7.2274E+00  2.3888E+00  3.0588E+00
 -1.2025E+03 -1.4493E+03 -1.5682E+03
HC            2735    1.008000    0.040000
 -1.7956E+01  8.2383E+00 -1.8085E+01
  4.6277E+00 -1.5515E+01  1.0163E+01
  1.6696E+03 -2.4729E+03 -5.7853E+02
HC            2736    1.008000    0.040000
 -1.6156E+01  8.1524E+00 -1.8440E+01
 -1.2255E+01 -7.3748E+00 -1.1249E+01
 -3.8260E+00 -5.4778E+02  4.0581E+03
CT            2737   12.011000    0.145000
 -1.8078E+01  4.6607E+00  8.8123E+00
 -6.1458E-01 -8.6380E+00 -4.9357E+00
  1.2073E+03 -9.5300E+02  4.3626E+03
OH            2738    0.000000   -0.683000
 -1.9340E+01  4.4275E+00  9.3977E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2739    1.008000    0.418000
 -1.9621E+01  5.2814E+00  9.6883E+00
  1.8111E+01  2.8494E+00  1.0743E+01
  2.1197E+03 -4.0397E+02  2.4823E+03
HC            2740    1.008000    0.040000
 -1.7705E+01  3.6369E+00  8.7866E+00
 -1.1103E+01 -1.2428E+01 -1.5014E+01
  2.4048E+03  1.0806E+03 -3.6847E+03
HC            2741    1.008000    0.040000
 -1.7485E+01  5.2831E+00  9.4818E+00
 -1.0153E+01  1.6522E+01 -1.8510E+01
 -1.0052E+02  3.3635E+02 -1.0283E+03
HC            2742    1.008000    0.040000
 -1.8147E+01  5.1895E+00  7.8616E+00
  2.3581E+01 -5.8080E+00 -5.7251E+00
  1.4778E+03 -1.5938E+03 -5.9472E+01
CT            2743   12.011000    0.145000
  1.1820E+01 -1.7766E+01 -1.3444E+01
 -4.8921E-01 -5.8169E+00 -1.1377E+00
 -1.2229E+03 -5.8521E+03 -3.5832E+02
OH            2744    0.000000   -0.683000
  1.2600E+01 -1.8048E+01 -1.2304E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2745    1.008000    0.418000
  1.2131E+01 -1.7775E+01 -1.1530E+01
  6.0273E+00 -1.7847E+01  1.0559E+01
  4.2832E+03  1.6249E+03  1.4169E+03
HC            2746    1.008000    0.040000
  1.1323E+01 -1.6809E+01 -1.3609E+01
 -1.4623E+01 -1.0496E+01  1.1878E+01
  6.2486E+02  3.3769E+02  4.2035E+03
HC            2747    1.008000    0.040000
  1.1103E+01 -1.8525E+01 -1.3131E+01
 -4.0448E+00  1.8436E+00  9.9241E+00
 -3.9969E+03  2.1474E+03 -3.4198E+03
HC            2748    1.008000    0.040000
  1.2131E+01 -1.8069E+01 -1.4443E+01
 -2.0956E+01 -4.6158E+00 -8.3535E+00
  2.4468E+03 -9.7266E+02  1.6663E+03
CT            2749   12.011000    0.145000
  2.7134E+00  7.3148E+00 -5.1453E+00
 -4.7190E+00 -3.1877E+00  7.0012E-02
 -4.6240E+03  4.6684E+03 -6.9748E+02
OH            2750    0.000000   -0.683000
  2.7580E+00  7.2280E+00 -6.5520E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2751    1.008000    0.418000
  2.6008E+00  8.1081E+00 -6.8580E+00
  1.1623E+01  7.6770E+00  1.4758E+01
  1.4049E+02  5.2936E+02  2.3202E+03
HC            2752    1.008000    0.040000
  2.2630E+00  6.5569E+00 -4.5043E+00
  1.6813E+01 -9.6569E+00  8.4464E+00
  4.9860E+03 -3.9192E+03 -1.6257E+03
HC            2753    1.008000    0.040000
  1.8946E+00  7.9750E+00 -4.8591E+00
  1.2528E-01  3.4100E+00 -1.0510E+00
  1.0926E+03  3.2660E+03 -2.4012E+03
HC            2754    1.008000    0.040000
  3.5890E+00  7.8111E+00 -4.7269E+00
 -1.2546E+01 -5.1010E+00  1.9805E+01
 -3.3236E+02 -1.6499E+03  1.4367E+03
CT            2755   12.011000    0.145000
  1.8234E+00 -1.1279E+01 -5.2101E+00
  1.2764E-01 -3.2540E+00  4.9204E+00
  6.5049E+02 -4.3476E+03  6.3331E+03
OH            2756    0.000000   -0.683000
  2.7236E+00 -1.0360E+01 -4.6328E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2757    1.008000    0.418000
  2.1495E+00 -9.6338E+00 -4.4420E+00
 -3.6843E+00 -7.6299E+00  2.0535E+01
  4.1948E+02 -5.1412E+02  1.1327E+03
HC            2758    1.008000    0.040000
  2.2468E+00 -1.2109E+01 -5.7748E+00
 -2.3635E+01 -2.5135E+00 -1.5742E+01
 -5.3949E+02  3.2609E+03 -4.1574E+03
HC            2759    1.008000    0.040000
  9.2042E-01 -1.0821E+01 -5.6145E+00
  9.6984E-01 -4.5245E+00  1.5692E+00
  1.2918E+03 -1.0148E+03 -2.9971E+03
HC            2760    1.008000    0.040000
  1.4602E+00 -1.1839E+01 -4.3489E+00
 -3.5362E-01  1.0631E+00  7.5584E+00
 -1.5910E+03  7.6043E+02  5.5740E+02
CT            2761   12.011000    0.145000
 -2.0433E+01  2.0300E+01 -1.2908E+01
  8.4218E-02  1.5799E-01 -6.4970E-02
  7.1658E+02 -4.7719E+03  1.9640E+03
OH            2762    0.000000   -0.683000
 -2.0432E+01 -2.0064E+01 -1.1603E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2763    1.008000    0.418000
  1.9937E+01  2.0310E+01 -1.1025E+01
  1.6027E+01 -7.7992E+00  8.2899E+00
  1.0381E+02  7.3782E+02  6.6640E+01
HC            2764    1.008000    0.040000
 -1.9672E+01 -2.0101E+01 -1.3508E+01
  1.5985E+01  5.0096E+00  2.2786E+01
 -1.6835E+03 -2.3485E+02 -3.0583E+02
HC            2765    1.008000    0.040000
  1.9480E+01  2.0197E+01 -1.3357E+01
  3.4727E+00 -5.7211E-01 -7.4835E+00
  2.0569E+02  1.7799E+03 -5.1572E+02
HC            2766    1.008000    0.040000
 -2.0102E+01  1.9282E+01 -1.2705E+01
 -6.9029E-01  2.8382E+00  1.6031E+01
  5.6607E+02 -1.9057E+02 -1.4877E+03
CT            2767   12.011000    0.145000
 -3.4832E+00 -2.1269E+00 -7.8246E+00
 -1.5124E+00  1.6454E+00 -6.4793E+00
  3.0559E+03  3.3381E+02 -5.2385E+03
OH            2768    0.000000   -0.683000
 -3.6868E+00 -3.4913E+00 -8.1163E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2769    1.008000    0.418000
 -3.7744E+00 -3.9018E+00 -7.2697E+00
 -2.0738E+00 -2.5905E+01 -1.1811E+01
 -3.2407E+02 -1.6355E+03 -1.5200E+03
HC            2770    1.008000    0.040000
 -3.9639E+00 -1.7894E+00 -6.9064E+00
 -1.5102E+00 -3.2461E+00 -4.6508E+00
  1.5196E+02 -9.1684E+01 -4.7807E+02
HC            2771    1.008000    0.040000
 -3.7039E+00 -1.5091E+00 -8.6951E+00
  4.1551E+01  3.6428E+00 -1.8276E+01
  5.4771E+02 -4.7377E+02  1.5049E+03
HC            2772    1.008000    0.040000
 -2.3962E+00 -2.0519E+00 -7.7961E+00
 -1.5496E+00  2.6885E+01 -2.9878E+01
 -1.0045E+03  2.6265E+03  1.3748E+03
CT            2773   12.011000    0.145000
  5.3378E+00  5.7539E+00  1.7010E+00
  1.4776E+00 -7.5966E-01  8.4550E-01
  5.5108E+02 -3.4063E+02 -5.4930E+02
OH            2774    0.000000   -0.683000
  4.6753E+00  4.5098E+00  1.7368E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2775    1.008000    0.418000
  3.9253E+00  4.6890E+00  2.2830E+00
 -4.6759E+00  4.0519E+00 -7.5745E+00
  5.5223E+02 -2.4662E+03  1.2039E+03
HC            2776    1.008000    0.040000
  5.6109E+00  6.1972E+00  2.6586E+00
  8.5329E+00  5.1807E+00 -3.8047E+00
 -9.6343E+02 -2.2809E+03  1.0501E+03
HC            2777    1.008000    0.040000
  4.8248E+00  6.5645E+00  1.1834E+00
  1.8260E+01 -1.5069E+00 -1.8203E+01
 -1.2654E+03 -2.0806E+03 -6.0351E+02
HC            2778    1.008000    0.040000
  6.3090E+00  5.7155E+00  1.2076E+00
  8.4116E+00 -1.6484E+00  1.4108E+01
 -1.2659E+02 -6.5985E+02  1.1201E+02
CT            2779   12.011000    0.145000
 -3.3355E+00 -1.3203E+01 -9.3280E+00
  4.6555E+00 -5.9388E+00 -3.6433E+00
 -2.4323E+03  5.6726E+01  2.1022E+03
OH            2780    0.000000   -0.683000
 -4.4305E+00 -1.3547E+01 -1.0147E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2781    1.008000    0.418000
 -4.0471E+00 -1.3786E+01 -1.0977E+01
  8.0480E-01 -2.5113E+00  1.0874E+00
 -2.0167E+03  9.1743E+02 -1.1472E+03
HC            2782    1.008000    0.040000
 -3.8654E+00 -1.3019E+01 -8.3933E+00
  5.3704E+00 -1.7043E+01 -9.1479E-01
  2.4516E+03 -9.5118E+02  1.7783E+03
HC            2783    1.008000    0.040000
 -2.7831E+00 -1.2283E+01 -9.5231E+00
  3.9278E+00 -2.9128E+00  7.8290E+00
 -8.9879E+02 -3.6198E+02 -2.1638E+03
HC            2784    1.008000    0.040000
 -2.6496E+00 -1.4047E+01 -9.2578E+00
 -4.8415E+00 -1.3955E+01 -5.0187E+00
 -3.7200E+02  1.5628E+02  1.2919E+03
CT            2785   12.011000    0.145000
  2.0033E+01  1.2898E+01  1.1196E+01
 -2.1083E+00 -3.8723E-01 -1.2428E+00
 -4.2648E+02  3.0320E+03 -3.2728E+03
OH            2786    0.000000   -0.683000
  1.9358E+01  1.3771E+01  1.2074E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2787    1.008000    0.418000
  1.9989E+01  1.3921E+01  1.2761E+01
 -1.7277E+00  1.7320E+01 -1.7390E+00
 -1.3552E+03  2.7827E+03  4.5112E+02
HC            2788    1.008000    0.040000
 -2.0291E+01  1.2128E+01  1.1708E+01
 -2.4297E+01 -1.8634E+01 -2.1250E+00
 -3.0382E+03 -1.8257E+03 -8.8480E+02
HC            2789    1.008000    0.040000
 -2.0178E+01  1.3488E+01  1.0591E+01
 -1.7883E+01  3.2796E+00 -1.6477E+01
 -6.7187E+02 -1.4201E+02 -6.5553E+02
HC            2790    1.008000    0.040000
  1.9348E+01  1.2404E+01  1.0507E+01
  3.4333E+00 -1.4097E+01  2.7569E+00
  4.9880E+02 -5.7750E+02  4.7151E+01
CT            2791   12.011000    0.145000
  1.4786E+01  1.3206E+01  3.8053E+00
  5.5511E+00 -5.8624E+00 -2.2657E+00
  5.1356E+03 -3.6169E+03 -8.4438E+02
OH            2792    0.000000   -0.683000
  1.5448E+01  1.4156E+01  3.0011E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2793    1.008000    0.418000
  1.5825E+01  1.3783E+01  2.2192E+00
 -2.2171E+01  4.6773E+00 -1.3826E+01
 -1.0668E+03 -1.4952E+03  1.1123E+03
HC            2794    1.008000    0.040000
  1.4283E+01  1.3847E+01  4.5303E+00
  7.2512E+00  1.8519E+01 -2.1299E+01
  1.5512E+03 -9.3107E+02 -1.4493E+02
HC            2795    1.008000    0.040000
  1.5633E+01  1.2693E+01  4.2588E+00
 -4.1421E+00 -1.6221E+00  2.2224E+01
 -2.2505E+03 -2.1214E+03  1.8044E+03
HC            2796    1.008000    0.040000
  1.4075E+01  1.2520E+01  3.3446E+00
 -3.7805E+00 -3.3012E+00  7.8843E+00
  4.0313E+02  5.8101E+02 -8.6139E+02
CT            2797   12.011000    0.145000
  1.4410E+01  8.0222E-01  1.9068E+01
 -5.7729E+00  5.0863E+00  1.5090E+00
 -1.9833E+02  4.5678E+03  5.5432E+03
OH            2798    0.000000   -0.683000
  1.3817E+01 -1.3952E-01  1.9934E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2799    1.008000    0.418000
  1.3094E+01  2.7296E-01  2.0381E+01
  1.7358E+01  1.9906E+01  1.1599E+01
  3.9811E+02 -1.1113E+03 -3.8951E+02
HC            2800    1.008000    0.040000
  1.4901E+01  1.4590E+00  1.9786E+01
  1.9671E+00 -9.3091E+00  9.8507E+00
 -5.3287E+01  1.6874E+03 -1.3817E+03
HC            2801    1.008000    0.040000
  1.3593E+01  1.3973E+00  1.8660E+01
 -8.3333E+00  1.0105E+00  6.3285E-01
  1.7725E+03 -9.1388E+02 -4.8455E+03
HC            2802    1.008000    0.040000
  1.5264E+01  4.6008E-01  1.8483E+01
  5.5227E+00  2.1296E+01  7.7766E+00
 -2.8323E+03  2.7120E+01 -2.2683E+03
CT            2803   12.011000    0.145000
  1.5608E+01 -1.4799E+01 -1.5071E+01
 -1.3863E+00  1.3642E-02 -4.8002E+00
  2.8165E+02  1.7552E+00  1.9466E+03
OH            2804    0.000000   -0.683000
  1.4418E+01 -1.5470E+01 -1.4724E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2805    1.008000    0.418000
  1.4598E+01 -1.6084E+01 -1.4029E+01
  6.0408E+00 -4.1277E-01 -1.8745E+00
  3.0250E+03 -5.0568E+02 -1.2018E+03
HC            2806    1.008000    0.040000
  1.5341E+01 -1.3891E+01 -1.5610E+01
 -6.1976E-01  9.3780E+00  1.0038E+01
  9.6374E+02  1.2111E+03  2.0405E+03
HC            2807    1.008000    0.040000
  1.6352E+01 -1.5280E+01 -1.5707E+01
 -8.8526E+00  7.1626E+00 -1.9439E+01
 -1.8519E+03 -2.6337E+03  5.7112E+02
HC            2808    1.008000    0.040000
  1.6099E+01 -1.4625E+01 -1.4114E+01
 -3.8655E+00 -6.0293E+00 -2.3807E+00
  4.6472E+02  2.2999E+03 -6.1482E+02
CT            2809   12.011000    0.145000
 -1.0835E+01 -1.7019E+01  1.8521E+01
  3.6188E+00  4.1346E+00  4.5164E+00
  6.4996E+03  3.4505E+03  1.5597E+03
OH            2810    0.000000   -0.683000
 -1.0305E+01 -1.8170E+01  1.9139E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2811    1.008000    0.418000
 -1.0702E+01 -1.8967E+01  1.8822E+01
 -2.9235E-01 -3.2833E+00  8.3650E+00
 -3.3562E+02  1.4592E+03 -2.6021E+03
HC            2812    1.008000    0.040000
 -1.0596E+01 -1.6361E+01  1.9357E+01
 -2.8895E+00  1.8169E+01 -4.2852E+00
 -1.1071E+03  3.4578E+03 -1.9595E+03
HC            2813    1.008000    0.040000
 -1.1864E+01 -1.6737E+01  1.8298E+01
  1.5685E+00  6.2458E+00  1.6016E+01
 -8.8004E+02 -4.7967E+03  1.0993E+03
HC            2814    1.008000    0.040000
 -1.0175E+01 -1.6803E+01  1.7681E+01
 -1.0977E+01 -8.3605E+00 -1.0889E+01
 -1.5423E+03  8.2019E+02 -8.1544E+02
CT            2815   12.011000    0.145000
  4.5784E+00  4.5878E-01  1.3532E+01
 -4.2519E+00 -3.9730E+00 -4.9125E+00
 -6.7173E+02 -3.6884E+02 -1.5310E+03
OH            2816    0.000000   -0.683000
  4.0017E+00  1.6602E+00  1.3071E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2817    1.008000    0.418000
  4.7444E+00  2.1639E+00  1.2775E+01
  4.7477E-01  7.8643E+00  1.3723E+01
 -1.1830E+03  8.9401E+01 -1.6352E+03
HC            2818    1.008000    0.040000
  5.5011E+00  5.4676E-01  1.4105E+01
 -9.0765E+00  1.5884E+01  5.8466E-01
 -7.1537E+02  2.6735E+03  1.0883E+02
HC            2819    1.008000    0.040000
  4.8742E+00 -1.5400E-01  1.2680E+01
  1.4927E+01 -2.9135E+01  1.8062E+01
 -1.7280E+03 -1.6646E+03  2.0244E+03
HC            2820    1.008000    0.040000
  3.8196E+00  3.3701E-02  1.4189E+01
 -1.2300E+01  2.0737E+00 -1.0101E+01
  4.4415E+02 -2.6597E+03 -1.5521E+03
CT            2821   12.011000    0.145000
  1.5698E+01  1.8144E+01 -4.5692E+00
 -3.1284E+00  7.4990E-01 -1.3623E+00
  2.1150E+03  1.8469E+02  1.1197E+03
OH            2822    0.000000   -0.683000
  1.5116E+01  1.8025E+01 -3.2903E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2823    1.008000    0.418000
  1.4860E+01  1.7116E+01 -3.2505E+00
 -9.3671E+00  1.9691E+00 -1.0383E+01
  1.4979E+03  4.9124E+01  1.9692E+03
HC            2824    1.008000    0.040000
  1.4895E+01  1.7771E+01 -5.2048E+00
  8.1724E+00 -2.3224E+01 -2.6396E+00
  2.9559E+03  7.0936E+02 -2.7711E+03
HC            2825    1.008000    0.040000
  1.6561E+01  1.7481E+01 -4.5087E+00
  2.0463E+00  4.9966E+00 -2.1294E+01
 -9.0166E+02 -1.3105E+03 -3.2334E+03
HC            2826    1.008000    0.040000
  1.6187E+01  1.9088E+01 -4.8115E+00
  3.0354E+01 -1.1504E+01  1.2447E+01
 -2.4375E+03 -3.2846E+02  8.2788E+02
CT            2827   12.011000    0.145000
  8.7704E+00  1.8246E+01  1.0961E+00
 -3.4352E-01  6.7578E-01 -1.2793E+00
  7.1488E+01  2.5783E+02  1.3037E+02
OH            2828    0.000000   -0.683000
  1.0121E+01  1.8177E+01  6.9861E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2829    1.008000    0.418000
  1.0300E+01  1.9054E+01  3.9592E-01
  5.7873E+00  5.8723E+00  1.9013E+01
 -7.6077E+02 -7.2648E+01  6.7184E+02
HC            2830    1.008000    0.040000
  8.4346E+00  1.7279E+01  1.4715E+00
 -2.4329E+01  3.8064E+00 -1.2764E+01
 -2.9754E+02  1.2872E+03  1.0513E+03
HC            2831    1.008000    0.040000
  8.1085E+00  1.8500E+01  2.6831E-01
 -2.2746E+01 -7.3729E+00  1.3222E+01
 -3.3640E+02  3.7134E+02  1.2331E+03
HC            2832    1.008000    0.040000
  8.8809E+00  1.9009E+01  1.8664E+00
 -1.1579E+01 -2.0338E+01  2.2634E+01
 -4.3007E+03 -1.1333E+03  6.9136E+02
CT            2833   12.011000    0.145000
 -7.8188E+00 -1.5971E+01 -1.6502E+01
 -1.2533E+00  1.3472E+00 -2.5326E-01
 -7.2015E+03 -2.5603E+03 -1.4274E+03
OH            2834    0.000000   -0.683000
 -8.0963E+00 -1.5972E+01 -1.5120E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2835    1.008000    0.418000
 -8.7407E+00 -1.5291E+01 -1.5001E+01
  3.3170E+00  1.1222E+01 -3.4898E+01
  2.8356E+03  1.5374E+03 -1.9595E+03
HC            2836    1.008000    0.040000
 -7.3697E+00 -1.6902E+01 -1.6848E+01
  1.5433E+01  7.0170E+00  5.1676E+00
  1.6134E+03  7.9086E+02  5.4423E+02
HC            2837    1.008000    0.040000
 -7.3473E+00 -1.5129E+01 -1.7009E+01
  6.0264E+00 -6.3679E+00 -6.6002E+00
  8.6397E+02  2.2882E+02  2.3890E+03
HC            2838    1.008000    0.040000
 -8.8630E+00 -1.6033E+01 -1.6809E+01
 -1.0152E+01 -5.8447E+00  2.8388E+01
  1.0364E+03  6.8281E+02 -1.8121E+03
CT            2839   12.011000    0.145000
  1.9672E+01 -8.4491E+00 -1.6483E+01
 -1.4901E+00 -1.1852E+00  1.3638E+00
  3.8369E+03  1.4941E+03  3.2814E+03
OH            2840    0.000000   -0.683000
  2.0381E+01 -9.6389E+00 -1.6745E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2841    1.008000    0.418000
 -2.0281E+01 -9.7215E+00 -1.7656E+01
 -9.6766E-01 -1.1068E+01  6.1429E-01
 -1.5471E+03  1.8234E+03 -3.3529E+02
HC            2842    1.008000    0.040000
  2.0396E+01 -7.6940E+00 -1.6788E+01
 -2.1484E+01  1.6965E+01 -3.6605E+00
 -3.7837E+03  2.3654E+03 -3.0496E+03
HC            2843    1.008000    0.040000
  1.9640E+01 -8.2568E+00 -1.5410E+01
  3.2510E+01 -2.9878E+01  9.4214E+00
 -1.2873E+03 -2.4564E+03 -1.2244E+03
HC            2844    1.008000    0.040000
  1.8714E+01 -8.4097E+00 -1.7002E+01
  6.7307E+00  1.5333E+01 -1.3630E+01
  1.4303E+03  2.7935E+03 -9.8602E+02
CT            2845   12.011000    0.145000
 -9.2335E+00 -1.5069E+01  1.5104E+01
 -1.2822E+00 -1.8544E+00 -1.8327E+00
 -7.8239E+03 -3.2336E+03 -3.9785E+02
OH            2846    0.000000   -0.683000
 -9.6464E+00 -1.3986E+01  1.4301E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2847    1.008000    0.418000
 -8.9346E+00 -1.3945E+01  1.3681E+01
 -1.2705E+01  7.5708E+00 -1.4788E+01
 -1.8998E+03  6.3952E+02 -1.7597E+03
HC            2848    1.008000    0.040000
 -9.2362E+00 -1.5907E+01  1.4407E+01
  1.9772E+01 -1.0279E+01  7.3606E+00
  2.5971E+03 -1.2530E+03  1.5180E+03
HC            2849    1.008000    0.040000
 -1.0088E+01 -1.5274E+01  1.5749E+01
 -1.0844E+01 -7.4757E+00 -1.5802E+01
  9.8313E+02 -7.7517E+01  1.4566E+03
HC            2850    1.008000    0.040000
 -8.3012E+00 -1.5026E+01  1.5667E+01
 -3.2805E+00 -3.9539E+00  1.6724E+00
  4.3043E+01  1.1193E+03 -1.4149E+03
CT            2851   12.011000    0.145000
 -2.5326E+00  3.6418E+00 -1.3918E+01
 -1.1201E+00  1.1802E+00  2.6538E+00
 -1.7349E+03 -3.7954E+03  3.3160E+03
OH            2852    0.000000   -0.683000
 -1.2523E+00  3.5398E+00 -1.3336E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2853    1.008000    0.418000
 -1.2412E+00  3.8594E+00 -1.2446E+01
 -6.1052E+00  3.1019E+01 -9.8386E+00
 -3.6556E+03  1.3804E+02 -1.1098E+03
HC            2854    1.008000    0.040000
 -2.4112E+00  3.2315E+00 -1.4920E+01
 -3.4108E+00 -6.2300E+00  5.3424E+00
 -2.1811E+03  3.2410E+03 -1.2169E+03
HC            2855    1.008000    0.040000
 -2.9831E+00  4.6210E+00 -1.3755E+01
 -9.7300E+00 -3.4164E+00  7.1920E+00
  1.5534E+02  1.3326E+02 -2.9325E+03
HC            2856    1.008000    0.040000
 -3.1711E+00  2.8957E+00 -1.3445E+01
  3.5592E+00 -8.0386E+00 -5.2172E+00
 -9.0347E+02  7.7674E+02  4.8642E+02
CT            2857   12.011000    0.145000
  6.6677E+00 -1.0075E+01  1.4440E+00
 -4.7098E+00 -4.5119E+00  6.1674E+00
  1.2854E+03 -3.1410E+03  4.2359E+03
OH            2858    0.000000   -0.683000
  6.8746E+00 -9.0220E+00  2.3590E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2859    1.008000    0.418000
  6.7448E+00 -8.2842E+00  1.7829E+00
 -1.2079E+01 -9.3365E+00 -9.8074E+00
 -1.3565E+03 -8.4665E+02 -3.8889E+02
HC            2860    1.008000    0.040000
  6.8754E+00 -9.9810E+00  3.7807E-01
  7.1750E+00  1.7440E+01  9.8140E+00
  1.4171E+03  3.9491E+03  1.2029E+03
HC            2861    1.008000    0.040000
  5.6113E+00 -1.0285E+01  1.6106E+00
 -7.7279E+00  3.0480E+00 -2.5669E+00
  7.7687E+02 -4.1037E+03 -1.6674E+03
HC            2862    1.008000    0.040000
  7.4245E+00 -1.0813E+01  1.7079E+00
 -4.2128E+00  9.8754E-01  2.1095E+01
 -2.8345E+03 -2.2809E+03  2.3054E+03
CT            2863   12.011000    0.145000
 -2.7098E+00 -6.0828E+00 -1.1640E+01
  4.8796E+00 -2.4270E+00 -5.5010E+00
  2.7543E+03 -1.8829E+02 -2.2012E+03
OH            2864    0.000000   -0.683000
 -1.7158E+00 -6.2810E+00 -1.0660E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2865    1.008000    0.418000
 -2.0405E+00 -6.1179E+00 -9.7872E+00
  3.4400E+01  1.0237E+01  1.2551E+01
 -2.8827E+01  1.6713E+03 -2.0535E+03
HC            2866    1.008000    0.040000
 -3.6957E+00 -6.4418E+00 -1.1344E+01
  8.9262E+00 -9.2776E-01  1.0790E+01
  1.3052E+03 -4.1675E+02  2.5358E+03
HC            2867    1.008000    0.040000
 -2.4944E+00 -6.6337E+00 -1.2555E+01
 -1.1009E+01 -2.6637E+01  4.3085E+00
  5.0252E+02 -2.7768E+02  1.0091E+03
HC            2868    1.008000    0.040000
 -2.8143E+00 -5.0380E+00 -1.1932E+01
  1.1174E+00 -6.8937E-01  1.8006E+00
  2.7058E+02  4.1900E+02  1.4437E+03
CT            2869   12.011000    0.145000
  1.7529E+01 -6.8648E+00 -2.0136E+01
  5.3746E+00 -3.6683E+00  2.1886E+00
 -7.1635E+02 -1.9079E+03  5.6039E+03
OH            2870    0.000000   -0.683000
  1.6873E+01 -8.0487E+00  2.0368E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2871    1.008000    0.418000
  1.6563E+01 -7.8164E+00  1.9506E+01
 -1.9402E+01 -2.1835E+01  1.1128E-01
 -4.6727E+03 -2.7793E+03  1.2998E+03
HC            2872    1.008000    0.040000
  1.7809E+01 -6.3395E+00  1.9851E+01
 -2.6406E+01  3.4473E+00 -4.6867E+00
 -6.1754E+02  7.0271E+02  1.9662E+03
HC            2873    1.008000    0.040000
  1.8307E+01 -7.1617E+00 -1.9433E+01
  2.8699E+00  5.3190E+00  8.9501E+00
  1.4463E+03  1.5997E+03 -6.3823E+02
HC            2874    1.008000    0.040000
  1.6760E+01 -6.3975E+00 -1.9521E+01
  3.2962E+00 -1.9941E+01  1.2572E+01
  1.2278E+03  3.0245E+03 -1.4947E+03
CT            2875   12.011000    0.145000
 -1.5457E+01 -3.6622E+00 -1.1293E+01
  2.7148E+00  2.2339E+00 -6.0906E-01
 -3.6771E+03  4.0936E+02  1.7285E+03
OH            2876    0.000000   -0.683000
 -1.6045E+01 -3.2876E+00 -1.2519E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2877    1.008000    0.418000
 -1.5564E+01 -2.5235E+00 -1.2798E+01
  8.8452E+00  9.5679E-01  1.6572E+01
 -5.4867E+02  5.9339E+02  1.6490E+03
HC            2878    1.008000    0.040000
 -1.4387E+01 -3.8584E+00 -1.1349E+01
  1.9436E+00 -4.7832E+00  7.3056E+00
 -4.6867E+02 -4.0374E+02  3.2434E+02
HC            2879    1.008000    0.040000
 -1.6046E+01 -4.5360E+00 -1.1014E+01
 -1.7362E+00 -3.3679E+00 -2.5196E+01
  2.2610E+03 -3.9049E+02  1.2810E+03
HC            2880    1.008000    0.040000
 -1.5709E+01 -2.8575E+00 -1.0602E+01
 -1.3174E+01  1.7888E+00 -5.4788E+00
  6.8622E+02 -6.4005E+02  7.7691E+02
CT            2881   12.011000    0.145000
 -1.4981E+01  1.4062E+01 -1.5378E+01
  4.4884E+00  1.1930E+00 -2.4994E+00
  2.9079E+03 -7.4219E+02  4.1224E+03
OH            2882    0.000000   -0.683000
 -1.5112E+01  1.5403E+01 -1.4963E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2883    1.008000    0.418000
 -1.4760E+01  1.5528E+01 -1.4096E+01
  7.3033E+00  4.5414E-01 -2.9632E+00
  2.1082E+03 -3.2851E+03 -4.1906E+02
HC            2884    1.008000    0.040000
 -1.5369E+01  1.3642E+01 -1.6306E+01
  5.3595E+00  5.6732E+00 -4.9160E+00
 -3.0044E+02  4.8209E+03 -1.6556E+03
HC            2885    1.008000    0.040000
 -1.5489E+01  1.3419E+01 -1.4659E+01
  1.5235E+00  5.1202E+00 -1.0497E+00
  1.1310E+03  8.8863E+02  1.7919E+03
HC            2886    1.008000    0.040000
 -1.3918E+01  1.3820E+01 -1.5342E+01
  3.1398E-01 -1.7486E+01  1.0650E+01
 -4.5749E+02 -1.2997E+03  1.3005E+02
CT            2887   12.011000    0.145000
 -2.5198E+00  1.4423E+01  2.5244E+00
 -2.6634E+00  5.1122E+00 -4.5467E+00
 -2.1842E+03  3.0346E+02 -4.7543E+03
OH            2888    0.000000   -0.683000
 -3.8216E+00  1.4150E+01  2.9923E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2889    1.008000    0.418000
 -4.3661E+00  1.4857E+01  2.6820E+00
 -2.1210E+01 -2.9157E+00  2.6780E+01
 -3.6144E+03 -2.4807E+03  2.6706E+03
HC            2890    1.008000    0.040000
 -2.1099E+00  1.5330E+01  2.9670E+00
  8.1373E+00 -3.3545E+00  3.3862E+00
  2.3905E+03 -1.8170E+03  8.5493E+02
HC            2891    1.008000    0.040000
 -2.7975E+00  1.4635E+01  1.4919E+00
 -1.2519E+01 -6.1701E+00 -4.4322E+00
  2.9587E+03 -3.2428E+02 -9.7202E+02
HC            2892    1.008000    0.040000
 -1.8940E+00  1.3531E+01  2.5611E+00
  5.7824E+00  1.1218E+01  5.5271E+00
  1.6638E+03  1.4616E+03  1.2878E+03
CT            2893   12.011000    0.145000
  1.9062E+01 -1.8097E+01  5.8937E+00
  4.4321E+00  1.2634E+00 -3.4234E+00
 -1.9981E+03 -2.0021E+03  4.8405E+02
OH            2894    0.000000   -0.683000
  1.9883E+01 -1.8959E+01  6.6489E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2895    1.008000    0.418000
 -2.0322E+01 -1.9125E+01  6.0307E+00
  1.5964E+01  4.9533E+00  1.5768E+01
  2.7691E+03 -2.2739E+03  4.0513E+03
HC            2896    1.008000    0.040000
  1.8058E+01 -1.7997E+01  6.3059E+00
  7.0144E+00  1.1917E+01  6.0124E-01
  4.2362E+01  3.3080E+02  1.5710E+02
HC            2897    1.008000    0.040000
  1.8879E+01 -1.8598E+01  4.9428E+00
  1.6332E+00  1.3713E+00 -2.9519E+00
  1.2424E+03  2.4297E+03 -1.5470E+03
HC            2898    1.008000    0.040000
  1.9465E+01 -1.7085E+01  5.8650E+00
  2.3274E+00  2.3781E+00  4.1257E+00
  5.4728E+02 -6.4236E+02 -1.8577E+03
CT            2899   12.011000    0.145000
  4.3986E+00 -3.0232E+00 -2.0660E+00
 -3.7919E-01 -1.8153E+00  4.1046E+00
  1.3959E+03  1.3468E+03 -2.9616E+02
OH            2900    0.000000   -0.683000
  3.6133E+00 -1.9255E+00 -1.6580E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2901    1.008000    0.418000
  3.5060E+00 -1.2715E+00 -2.3317E+00
 -1.6585E+01 -1.0161E+01 -7.8747E+00
 -4.8040E+02 -1.4895E+03 -8.7966E+02
HC            2902    1.008000    0.040000
  4.4741E+00 -2.9069E+00 -3.1471E+00
 -1.1419E+01  1.9852E+01  5.1177E+00
 -2.1395E+03 -3.8222E+03  2.0666E+02
HC            2903    1.008000    0.040000
  3.8624E+00 -3.8383E+00 -1.5800E+00
 -2.4729E+00 -7.0215E+00 -6.6348E+00
  1.4021E+03 -2.9743E+03 -3.7525E+03
HC            2904    1.008000    0.040000
  5.4225E+00 -2.9676E+00 -1.6962E+00
  4.6525E+00 -7.8478E+00 -8.3339E+00
 -7.1164E+02 -7.9529E+02  1.5911E+03
CT            2905   12.011000    0.145000
 -6.4115E+00  1.1149E+01 -1.4300E+01
 -1.2153E+00 -1.8835E+00 -3.7989E+00
  2.7586E+03  1.1020E+03  1.9892E+03
OH            2906    0.000000   -0.683000
 -6.3492E+00  1.2405E+01 -1.4937E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2907    1.008000    0.418000
 -5.6338E+00  1.2832E+01 -1.4491E+01
 -3.8011E+00  1.3510E+01 -6.3083E+00
 -2.3918E+02  2.0289E+03 -1.7724E+03
HC            2908    1.008000    0.040000
 -6.7770E+00  1.1286E+01 -1.3282E+01
 -3.5439E+01 -1.0641E+01 -1.3587E+01
 -3.6700E+03 -1.8628E+03 -1.6818E+03
HC            2909    1.008000    0.040000
 -5.3936E+00  1.0801E+01 -1.4123E+01
 -7.0883E+00 -1.5609E+01  4.7061E+00
 -5.0063E+02 -2.4574E+03 -1.9817E+03
HC            2910    1.008000    0.040000
 -6.9827E+00  1.0439E+01 -1.4898E+01
 -1.1065E+01 -4.1353E+00  7.8828E+00
 -8.7837E+02 -9.5506E+02  2.6197E+03
CT            2911   12.011000    0.145000
 -6.1870E+00  5.1596E+00 -1.8226E+01
  3.1854E-01 -1.2220E+00  1.2387E-02
 -1.6292E+03 -5.2029E+03  2.2571E+02
OH            2912    0.000000   -0.683000
 -6.2710E+00  5.1247E+00 -1.9633E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2913    1.008000    0.418000
 -6.4357E+00  4.2374E+00 -1.9913E+01
 -1.7374E+01 -1.7168E+00  1.3858E+01
 -6.5267E+01 -3.7294E+02  2.5244E+03
HC            2914    1.008000    0.040000
 -6.3012E+00  6.2010E+00 -1.7925E+01
  3.8667E+00 -3.1752E+00  8.4079E+00
  2.6187E+03 -8.7037E+02  2.6101E+03
HC            2915    1.008000    0.040000
 -5.3416E+00  4.5899E+00 -1.7840E+01
  8.5232E+00  1.4381E+01  5.9677E+00
  3.6762E+03  4.5265E+03 -1.0579E+03
HC            2916    1.008000    0.040000
 -6.9152E+00  4.5822E+00 -1.7656E+01
 -2.0318E+01  1.5765E+01 -7.7919E+00
 -4.2435E+03  1.9996E+03 -3.1882E+03
CT            2917   12.011000    0.145000
 -7.8649E+00 -1.0492E+01 -1.3760E+01
 -8.7544E-01  2.4676E+00  3.4644E-01
 -9.8099E+02  2.7698E+03  3.2647E+03
OH            2918    0.000000   -0.683000
 -9.1917E+00 -1.0968E+01 -1.3738E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2919    1.008000    0.418000
 -9.6592E+00 -1.0310E+01 -1.3248E+01
  4.9825E+00 -6.0083E+00  1.3298E+01
  9.1978E+02  5.2062E+02 -3.4023E+02
HC            2920    1.008000    0.040000
 -7.0547E+00 -1.1199E+01 -1.3936E+01
 -5.1010E+00 -4.5737E+00  8.4310E+00
 -1.5842E+03 -8.7128E+02 -1.3850E+03
HC            2921    1.008000    0.040000
 -7.6782E+00 -1.0107E+01 -1.2757E+01
 -4.3684E+00  1.6268E+01 -4.0810E+00
  5.2533E+02  5.4249E+02 -1.6658E+02
HC            2922    1.008000    0.040000
 -7.8463E+00 -9.6558E+00 -1.4459E+01
 -2.1324E+01 -9.9735E+00 -1.6273E+01
  1.1078E+03 -5.7267E+02  6.9542E+02
CT            2923   12.011000    0.145000
 -1.4211E+01 -1.7289E+01  7.8846E+00
  2.4930E+00  1.5806E+00  3.7429E+00
  6.0686E+03  2.1401E+03  3.8144E+03
OH            2924    0.000000   -0.683000
 -1.4360E+01 -1.5966E+01  7.4192E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2925    1.008000    0.418000
 -1.3852E+01 -1.5332E+01  7.9014E+00
  1.0071E+01 -1.2249E+01  6.1092E+00
  2.0062E+03 -2.0435E+03  3.2997E+02
HC            2926    1.008000    0.040000
 -1.3196E+01 -1.7558E+01  7.5940E+00
  6.2592E+00  4.3196E+00  1.3934E+01
 -1.8975E+02 -1.3792E+03 -7.0733E+01
HC            2927    1.008000    0.040000
 -1.4928E+01 -1.8060E+01  7.6025E+00
 -1.5298E+01  1.7730E+01  2.7800E+00
 -7.1031E+02  2.6283E+03 -2.0155E+03
HC            2928    1.008000    0.040000
 -1.4214E+01 -1.7261E+01  8.9742E+00
 -1.7586E+01  1.1220E+01  3.9040E+00
 -6.0869E+02  2.5794E+01 -6.3483E+01
CT            2929   12.011000    0.145000
  1.2977E+01 -1.6216E+01  9.2230E+00
 -1.1010E+00 -4.1024E+00 -2.0895E+00
 -3.2079E+03 -1.0552E+04  1.3488E+03
OH            2930    0.000000   -0.683000
  1.4323E+01 -1.6623E+01  9.3239E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2931    1.008000    0.418000
  1.4442E+01 -1.7353E+01  8.7357E+00
  4.5942E+00 -5.8648E-02  9.6056E-01
 -2.3031E+03 -1.2684E+03  1.2399E+03
HC            2932    1.008000    0.040000
  1.2488E+01 -1.7188E+01  9.2918E+00
  6.4188E+00 -9.7688E+00 -2.1768E+01
 -1.8598E+03  3.7345E+02 -6.9990E+02
HC            2933    1.008000    0.040000
  1.2726E+01 -1.5874E+01  8.2190E+00
 -8.6924E+00 -6.8248E+00 -1.1862E+00
 -1.4058E+03  3.5395E+03  2.0260E+03
HC            2934    1.008000    0.040000
  1.2793E+01 -1.5706E+01  1.0168E+01
  1.2393E+01  8.6739E+00 -5.9767E+00
 -3.7294E+03  5.0512E+03 -4.0946E+03
CT            2935   12.011000    0.145000
  1.6661E+00  1.4159E+01  1.7831E+01
  1.4720E+00 -1.5047E+00  1.6268E+00
 -2.1947E+03 -2.2922E+03  2.6457E+03
OH            2936    0.000000   -0.683000
  1.6837E+00  1.5204E+01  1.8778E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2937    1.008000    0.418000
  9.1106E-01  1.5746E+01  1.8732E+01
 -2.0057E+01 -2.5185E+01  1.3630E+01
 -5.1859E+02 -2.2411E+03  1.6604E+03
HC            2938    1.008000    0.040000
  2.1723E+00  1.3325E+01  1.8318E+01
 -4.9140E+00 -3.3310E+00  5.2588E+00
  1.0306E+03 -3.3643E+02 -1.5408E+03
HC            2939    1.008000    0.040000
  2.1876E+00  1.4368E+01  1.6897E+01
  3.9916E+00 -6.0990E+00  1.9747E+00
 -2.0717E+03  1.5373E+02 -6.8636E+02
HC            2940    1.008000    0.040000
  6.3209E-01  1.3816E+01  1.7797E+01
 -1.2857E+00  5.7335E+00  8.9714E+00
 -3.2763E+01  3.6012E+02 -3.2342E+03
CT            2941   12.011000    0.145000
  1.4416E+01  1.0505E+01 -5.7309E+00
  4.5936E+00  4.5650E-01 -4.9226E+00
 -2.6017E+03 -4.0451E+03 -2.4303E+03
OH            2942    0.000000   -0.683000
  1.5179E+01  9.4993E+00 -5.1031E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2943    1.008000    0.418000
  1.4789E+01  8.6387E+00 -5.1028E+00
  1.0535E+00 -6.2453E-01  1.1307E+01
 -1.1226E+03  7.9229E+02 -2.0991E+03
HC            2944    1.008000    0.040000
  1.4082E+01  1.0108E+01 -6.6892E+00
  2.5051E+01 -1.2369E+01 -7.3603E+00
 -2.3943E+02  7.1327E+01  2.8202E+02
HC            2945    1.008000    0.040000
  1.5045E+01  1.1350E+01 -6.0124E+00
  5.0357E-01 -4.6419E+00 -3.2135E+01
 -2.2252E+03  7.6797E+02  2.5721E+03
HC            2946    1.008000    0.040000
  1.3553E+01  1.0628E+01 -5.0767E+00
 -1.0738E+01  1.4316E+01 -2.6388E+01
  1.0497E+02  3.9532E+03 -1.5052E+03
CT            2947   12.011000    0.145000
  6.3399E+00  1.2169E+01 -1.8793E+01
 -5.4544E+00 -8.5498E-01  4.0094E+00
  1.3308E+01 -4.4647E+02  1.5178E+02
OH            2948    0.000000   -0.683000
  6.3035E+00  1.0804E+01 -1.9145E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2949    1.008000    0.418000
  6.6475E+00  1.0711E+01 -2.0020E+01
  8.9965E+00 -1.7840E+01  4.9604E+00
 -1.2446E+03  4.3437E+02  4.1739E+01
HC            2950    1.008000    0.040000
  6.0939E+00  1.2435E+01 -1.7765E+01
 -1.9264E+01  3.8379E+00 -2.8541E-01
  3.2227E+02 -2.1283E+03  3.3483E+02
HC            2951    1.008000    0.040000
  5.6904E+00  1.2784E+01 -1.9416E+01
  4.8940E+00 -1.0702E+01 -1.7552E+01
  1.0316E+03 -1.0936E+03 -1.3286E+03
HC            2952    1.008000    0.040000
  7.3886E+00  1.2401E+01 -1.8979E+01
 -4.1279E+00 -3.2590E+00  8.3509E+00
 -2.7374E+02  2.0438E+03  1.2652E+03
CT            2953   12.011000    0.145000
  7.1456E+00  3.5601E+00  8.4718E+00
  5.3036E+00 -4.4622E+00 -6.3340E+00
 -1.7682E+03 -3.1571E+03 -1.6749E+03
OH            2954    0.000000   -0.683000
  7.4407E+00  2.5694E+00  9.4307E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2955    1.008000    0.418000
  7.7270E+00  1.8723E+00  8.8606E+00
 -2.2556E+01  9.3052E+00 -2.4833E+01
 -1.2836E+03  6.5419E+02  5.5738E+02
HC            2956    1.008000    0.040000
  6.6318E+00  4.4629E+00  8.8020E+00
  8.0450E+00 -7.8115E+00  7.7476E+00
  1.4652E+03 -4.1603E+02  2.5854E+03
HC            2957    1.008000    0.040000
  6.3954E+00  3.1157E+00  7.8177E+00
  1.1376E+00  3.4781E+00 -7.0740E+00
  4.6673E+02  5.4337E+01 -9.3840E+02
HC            2958    1.008000    0.040000
  7.9732E+00  3.9038E+00  7.8512E+00
  1.9928E+00  1.3384E+01 -1.4342E+00
  4.3141E+02 -9.9979E+02  8.7060E+02
CT            2959   12.011000    0.145000
 -1.1044E+01  5.0148E+00  5.8681E+00
  2.7639E+00  2.8434E+00  1.9833E+00
 -3.3080E+03 -3.0054E+03 -6.4021E+02
OH            2960    0.000000   -0.683000
 -1.2036E+01  6.0149E+00  5.8068E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2961    1.008000    0.418000
 -1.1443E+01  6.7496E+00  5.7688E+00
  4.4275E+00 -4.0043E+00 -2.2069E+01
 -1.5732E+03  4.4998E+02  6.8916E+02
HC            2962    1.008000    0.040000
 -1.0141E+01  5.1837E+00  5.2821E+00
  1.4300E+01  1.1731E+01  2.1327E+01
 -1.1633E+00  2.4799E+03  1.7757E+03
HC            2963    1.008000    0.040000
 -1.1382E+01  4.0557E+00  5.4759E+00
 -6.9817E+00  2.7707E+00  1.0151E+01
 -2.4984E+03  2.2750E+02  8.3881E+02
HC            2964    1.008000    0.040000
 -1.0836E+01  4.8487E+00  6.9251E+00
 -8.9295E+00  7.7063E+00  5.2113E+00
  2.0099E+03  2.6141E+02 -6.9691E+02
CT            2965   12.011000    0.145000
  1.3449E+01 -2.7878E+00  9.1243E+00
 -7.8121E-01  4.5668E+00  1.1499E+00
  6.1917E-01  1.8352E+03  3.8053E+02
OH            2966    0.000000   -0.683000
  1.3906E+01 -2.3937E+00  7.8500E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2967    1.008000    0.418000
  1.3204E+01 -2.7084E+00  7.3013E+00
  9.5731E+00 -9.8093E-01 -1.2123E+01
  6.4008E+02  2.7991E+03 -2.1528E+03
HC            2968    1.008000    0.040000
  1.3070E+01 -2.0137E+00  9.7918E+00
  6.0616E+00 -4.5513E+00  1.6135E+01
 -8.5174E+01  2.0147E+03 -3.1394E+03
HC            2969    1.008000    0.040000
  1.4211E+01 -3.2093E+00  9.7798E+00
  2.6369E+00 -2.2542E-01 -5.7794E+00
  1.3661E+03 -1.0355E+03 -2.3124E+03
HC            2970    1.008000    0.040000
  1.2656E+01 -3.5357E+00  9.1218E+00
  1.6415E+01 -1.4955E+01  1.6975E+01
  1.5224E+03 -2.7086E+02 -1.2524E+03
CT            2971   12.011000    0.145000
  2.0389E+01  7.9229E+00 -1.6965E+01
 -1.0889E+01 -4.5056E+00 -2.6563E+00
 -7.7229E+03 -4.1347E+03 -1.3448E+03
OH            2972    0.000000   -0.683000
 -2.0098E+01  6.6675E+00 -1.6473E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2973    1.008000    0.418000
 -1.9879E+01  6.7655E+00 -1.5559E+01
 -1.0435E+01  1.9307E+01  9.6841E-01
 -2.0715E+03  2.3449E+03 -1.3674E+01
HC            2974    1.008000    0.040000
  1.9315E+01  7.8518E+00 -1.6793E+01
 -9.9626E+00 -1.2351E+01  2.9631E-01
 -5.5294E+02  2.3679E+03  6.5501E+02
HC            2975    1.008000    0.040000
 -2.0365E+01  8.1196E+00 -1.8027E+01
  2.5575E+01  3.5895E+01  6.9898E+00
  2.4953E+03  1.5632E+03  2.7877E+03
HC            2976    1.008000    0.040000
 -2.0067E+01  8.6556E+00 -1.6291E+01
 -2.8282E+00  1.9109E+00 -1.4574E+01
  1.6864E+03  1.9948E+02 -2.3569E+03
CT            2977   12.011000    0.145000
  1.5064E+01  2.0798E+00 -8.7641E+00
  1.6007E+00  2.5068E+00  2.1181E+00
  5.7750E+02  2.4376E+03  1.8361E+03
OH            2978    0.000000   -0.683000
  1.4669E+01  1.3590E+00 -7.6185E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2979    1.008000    0.418000
  1.3732E+01  1.3232E+00 -7.4978E+00
 -4.2424E-01  1.7354E+01  4.5232E+00
  9.2317E+01  1.0675E+03 -1.2772E+03
HC            2980    1.008000    0.040000
  1.6154E+01  2.0430E+00 -8.7687E+00
  2.0531E+00 -5.6461E+00  2.6864E+01
 -7.4980E+02 -1.5376E+03 -1.4315E+03
HC            2981    1.008000    0.040000
  1.4920E+01  3.1582E+00 -8.6988E+00
  2.3649E+01  5.6093E+00  7.7050E+00
 -1.8484E+03 -7.5308E+02  1.0409E+03
HC            2982    1.008000    0.040000
  1.4573E+01  1.7624E+00 -9.6837E+00
 -8.4963E+00  2.2817E+01 -6.1253E-02
  1.0426E+03 -3.3859E+02  4.7697E+02
CT            2983   12.011000    0.145000
 -1.3859E+01 -1.0364E+01 -1.4938E+01
 -3.3955E-01 -3.4897E+00  1.9222E+00
  9.2073E+02 -3.5330E+03 -4.7685E+02
OH            2984    0.000000   -0.683000
 -1.5058E+01 -1.0625E+01 -1.5632E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2985    1.008000    0.418000
 -1.5427E+01 -9.8176E+00 -1.5955E+01
 -3.8737E+01 -2.2473E+01 -1.9270E+01
 -5.7356E+02 -2.6380E+03  6.7410E+02
HC            2986    1.008000    0.040000
 -1.3642E+01 -1.1369E+01 -1.4575E+01
 -5.7820E+00 -9.2525E+00 -1.0186E+01
  2.6954E+03  8.5865E+02  6.4026E+02
HC            2987    1.008000    0.040000
 -1.3893E+01 -9.6420E+00 -1.4122E+01
  2.0549E+00  7.1952E+00 -7.1868E+00
 -1.8738E+03  6.9229E+01 -6.8157E+02
HC            2988    1.008000    0.040000
 -1.3116E+01 -9.9977E+00 -1.5647E+01
 -1.3307E+01  6.0532E+00 -7.2156E+00
  1.3431E+02 -8.2718E+02  2.8321E+02
CT            2989   12.011000    0.145000
  1.3309E+00  2.7076E+00  1.5361E+00
 -2.3227E+00  1.7720E+00 -1.7225E+00
 -1.9239E+03 -3.8511E+03 -2.3774E+03
OH            2990    0.000000   -0.683000
  2.2460E+00  2.8699E+00  4.7577E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2991    1.008000    0.418000
  3.1422E+00  2.7718E+00  7.5898E-01
 -1.6881E-01 -8.4826E+00 -2.1348E+00
 -6.5398E+02  2.5915E+02  1.7785E+03
HC            2992    1.008000    0.040000
  1.7703E+00  3.2119E+00  2.3968E+00
  6.5671E+00  1.4436E+01 -1.3248E+01
 -2.5342E+03 -1.1167E+03  8.2452E+02
HC            2993    1.008000    0.040000
  1.1414E+00  1.6457E+00  1.6928E+00
  2.1918E+01  3.2080E-03  2.3409E+01
  3.6037E+03  8.8626E+00  2.5368E+03
HC            2994    1.008000    0.040000
  3.3060E-01  3.0234E+00  1.2399E+00
  1.0351E+01  1.7327E+01 -3.2494E+01
  2.1158E+03  3.9458E+03  3.5581E+02
CT            2995   12.011000    0.145000
 -2.0262E+01  1.6058E+01  1.9748E+01
  9.5595E-01 -1.1668E+00  7.5581E-01
  4.1721E+03 -1.5548E+03  2.3646E+03
OH            2996    0.000000   -0.683000
  2.0060E+01  1.6392E+01 -1.9910E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2997    1.008000    0.418000
 -2.0213E+01  1.6786E+01 -1.9322E+01
 -5.4411E+00 -9.1496E+00  1.2393E+01
 -1.4505E+03  1.2943E+03  1.9900E+02
HC            2998    1.008000    0.040000
 -1.9764E+01  1.6889E+01  1.9250E+01
  1.3928E+01 -6.1039E+00  5.0774E+00
 -8.3842E+02  4.2795E+02  5.0998E+02
HC            2999    1.008000    0.040000
  2.0096E+01  1.5496E+01  1.8988E+01
  1.1412E+01  1.0339E+01 -1.5895E+01
 -2.3785E+03  1.7825E+03  1.6082E+03
HC            3000    1.008000    0.040000
 -1.9448E+01  1.5371E+01  1.9975E+01
  8.3324E+00  2.3212E+00 -1.3891E+01
  9.0301E+02  7.0257E+02 -2.7514E+02
CT            3001   12.011000    0.145000
 -8.5426E+00 -1.7470E+01  6.1077E+00
  1.6283E+00 -2.1642E+00 -2.2310E+00
 -4.0482E+03  6.4345E+01  3.3012E+03
OH            3002    0.000000   -0.683000
 -7.7406E+00 -1.7949E+01  7.1637E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3003    1.008000    0.418000
 -6.9727E+00 -1.7401E+01  7.2216E+00
 -7.2760E-01  1.1672E+00 -1.3213E+00
 -8.8921E+02  1.4830E+03 -2.1973E+03
HC            3004    1.008000    0.040000
 -9.4531E+00 -1.8024E+01  6.3338E+00
  2.6562E+00 -2.1626E+00  1.9975E+00
 -1.3752E+03  9.4472E+02 -1.9152E+03
HC            3005    1.008000    0.040000
 -8.2655E+00 -1.7668E+01  5.0724E+00
  5.6225E+00  1.2848E+01 -4.2817E+00
  1.7674E+03 -9.7085E+01  1.0893E+03
HC            3006    1.008000    0.040000
 -8.7263E+00 -1.6410E+01  6.2868E+00
  2.6716E+01 -1.9061E+00  3.2064E+01
  8.0784E+02 -1.3965E+03 -1.2226E+02
CT            3007   12.011000    0.145000
  7.1421E+00 -1.1824E+01 -1.3831E+01
  1.1026E-01  6.0005E+00  5.0289E+00
 -1.2855E+03  2.6678E+02 -1.7645E+03
OH            3008    0.000000   -0.683000
  5.8552E+00 -1.2186E+01 -1.3383E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3009    1.008000    0.418000
  5.7303E+00 -1.1547E+01 -1.2698E+01
 -3.3090E+01 -1.1860E+01  6.9093E+00
 -4.5587E+03 -2.4473E+03  5.5910E+02
HC            3010    1.008000    0.040000
  7.4869E+00 -1.2573E+01 -1.4544E+01
  1.1850E+01 -9.0383E+00  2.5432E+01
  9.9426E+02  6.2329E+02  7.3999E+02
HC            3011    1.008000    0.040000
  7.8378E+00 -1.1731E+01 -1.2997E+01
  4.8532E+00  1.7567E+01  9.5951E-03
  5.2115E+02 -1.2722E+03 -7.9664E+02
HC            3012    1.008000    0.040000
  7.1097E+00 -1.0806E+01 -1.4219E+01
  7.4270E+00  1.4752E+01  2.5907E+01
  3.9938E+02 -7.4051E+02 -5.9068E+02
CT            3013   12.011000    0.145000
  9.6245E+00 -3.3433E+00 -8.5564E+00
  1.9641E+00  9.4316E-01 -3.4013E+00
 -1.2969E+03  4.2305E+02  7.1730E+02
OH            3014    0.000000   -0.683000
  8.7772E+00 -4.2070E+00 -9.2803E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3015    1.008000    0.418000
  8.6127E+00 -4.9271E+00 -8.6910E+00
 -2.7005E+01  1.1412E+01  7.9730E+00
 -1.6891E+03 -5.6727E+02 -2.6549E+03
HC            3016    1.008000    0.040000
  9.5780E+00 -2.2704E+00 -8.7429E+00
 -1.5701E+01  2.8104E+00  9.2044E+00
 -1.8612E+03 -1.2404E+03 -3.6804E+03
HC            3017    1.008000    0.040000
  1.0684E+01 -3.5814E+00 -8.6549E+00
  7.8949E+00  1.1603E+01  2.4930E+01
 -1.0015E+03 -1.1190E+03  1.8014E+03
HC            3018    1.008000    0.040000
  9.4066E+00 -3.3851E+00 -7.4892E+00
  1.5331E+01 -6.0333E+01  6.3164E-01
  1.0654E+03 -3.9290E+03 -2.7036E+03
CT            3019   12.011000    0.145000
  4.7913E+00  4.6844E+00 -1.3288E+01
  1.2148E+00 -3.3102E+00 -5.4646E-01
 -3.2264E+03  9.7005E+03 -3.2656E+03
OH            3020    0.000000   -0.683000
  6.1152E+00  5.1683E+00 -1.3253E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3021    1.008000    0.418000
  6.3678E+00  5.2324E+00 -1.2345E+01
 -9.5795E+00  4.6065E+00  2.4719E+00
  1.6184E+03 -1.9143E+03 -5.7498E+02
HC            3022    1.008000    0.040000
  4.1856E+00  5.5322E+00 -1.2968E+01
  4.8285E+00 -4.8454E+00  1.0809E+01
 -4.7371E+02 -9.1535E+02  3.9632E+03
HC            3023    1.008000    0.040000
  4.4046E+00  3.7938E+00 -1.2793E+01
 -1.9747E+01 -5.6701E-01 -1.0856E+01
  2.1135E+03 -1.9881E+02 -1.7010E+03
HC            3024    1.008000    0.040000
  4.5448E+00  4.8335E+00 -1.4340E+01
  4.3120E+00 -1.5748E+01 -3.2000E+00
 -1.6898E+03 -6.4672E+03 -1.0407E+03
CT            3025   12.011000    0.145000
 -1.8304E+01 -5.4500E+00  1.8539E+01
  5.7740E+00 -1.2172E+00 -3.0519E+00
  2.5109E+03  7.8803E+03  4.2848E+02
OH            3026    0.000000   -0.683000
 -1.8897E+01 -5.1267E+00  1.7302E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3027    1.008000    0.418000
 -1.8805E+01 -4.2062E+00  1.7109E+01
  1.4362E+01  8.3685E-02  6.0243E+00
  1.8903E+03 -4.3384E+01  1.2949E+03
HC            3028    1.008000    0.040000
 -1.7245E+01 -5.3194E+00  1.8316E+01
  7.2740E+00  3.5429E+00  6.3393E+00
  1.1476E+03 -2.8248E+03  2.9279E+03
HC            3029    1.008000    0.040000
 -1.8632E+01 -6.2835E+00  1.9160E+01
 -7.2509E+00  1.4927E+01  1.2834E+01
  1.2811E+03 -1.1134E+03 -3.5889E+03
HC            3030    1.008000    0.040000
 -1.8568E+01 -4.6233E+00  1.9199E+01
 -1.0724E+01 -7.9755E+00 -6.9930E-01
  1.0244E+03  8.0078E+02 -4.0314E+02
CT            3031   12.011000    0.145000
  2.0402E+01 -5.0184E+00 -1.1987E+00
 -4.5792E+00 -2.8936E+00 -5.5463E-01
 -1.6132E+03 -1.7463E+03 -2.1232E+03
OH            3032    0.000000   -0.683000
 -1.9780E+01 -6.1986E+00 -9.1635E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3033    1.008000    0.418000
 -2.0086E+01 -6.3224E+00 -3.0660E-02
  1.8945E-01  1.9918E+00  3.4906E-01
  1.4547E+02 -2.7223E+03 -3.7656E+02
HC            3034    1.008000    0.040000
  1.9332E+01 -5.2099E+00 -1.2792E+00
 -2.9907E+00 -7.4963E+00 -1.2933E+01
  2.1970E+02 -1.4668E+03  7.9809E+02
HC            3035    1.008000    0.040000
 -2.0270E+01 -4.5779E+00 -2.1693E+00
  2.6979E-01  9.2679E+00  5.8871E+00
  1.4465E+03  3.7448E+02  5.8060E+02
HC            3036    1.008000    0.040000
 -2.0414E+01 -4.2563E+00 -4.2409E-01
 -3.1176E+00  8.8265E+00 -1.1899E+01
  1.6812E+03  2.1521E+02 -1.0076E+03
CT            3037   12.011000    0.145000
 -1.9625E+01 -1.6633E+01  1.1142E+01
  6.1289E-01  4.7069E+00 -6.9673E+00
 -4.2097E+03  5.4170E+03  1.0657E+03
OH            3038    0.000000   -0.683000
 -1.8641E+01 -1.5844E+01  1.1772E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3039    1.008000    0.418000
 -1.8931E+01 -1.4951E+01  1.1870E+01
 -5.9718E+00 -2.6922E+00  7.8746E+00
 -1.8708E+03 -7.0746E+02  4.0365E+02
HC            3040    1.008000    0.040000
  2.0387E+01 -1.6358E+01  1.1712E+01
 -3.2838E+00  1.6951E+01 -1.8417E+01
  4.0068E+02 -3.2066E+03  1.9579E+03
HC            3041    1.008000    0.040000
 -1.9463E+01 -1.7704E+01  1.1021E+01
  5.3853E+00  3.2693E+00  9.6782E+00
  1.6112E+03  4.5770E+02  3.3458E+03
HC            3042    1.008000    0.040000
 -2.0136E+01 -1.6337E+01  1.0225E+01
 -1.7340E+00  2.1237E+01 -6.6240E-01
  4.6534E+03  3.3530E+03 -1.4504E+03
CT            3043   12.011000    0.145000
 -1.1089E+01  1.7493E+01  1.2804E+01
  1.1719E+00  3.1665E+00  2.7469E+00
  8.2606E+02 -2.2051E+03 -2.1563E+03
OH            3044    0.000000   -0.683000
 -1.1087E+01  1.8413E+01  1.1735E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3045    1.008000    0.418000
 -1.0690E+01  1.9165E+01  1.2148E+01
  2.5863E+01 -9.7606E+00 -5.1229E+00
  2.5130E+02  5.3263E+01 -2.1243E+03
HC            3046    1.008000    0.040000
 -1.1544E+01  1.7812E+01  1.3742E+01
  1.8716E-01  1.3747E+01 -1.1872E+00
 -3.3417E+03  1.1585E+03 -2.3572E+03
HC            3047    1.008000    0.040000
 -1.0089E+01  1.7240E+01  1.3156E+01
  6.8902E+00  7.2988E+00 -9.9289E+00
  9.9633E+02 -1.2104E+02 -2.9560E+03
HC            3048    1.008000    0.040000
 -1.1597E+01  1.6618E+01  1.2398E+01
 -1.5845E+01  1.8467E+00  2.4981E+01
  7.8135E+01 -9.8340E+02  2.8560E+03
CT            3049   12.011000    0.145000
 -1.5677E+01 -1.5613E+01 -2.1018E+00
 -2.1101E+00  5.0455E-01 -2.3047E+00
 -8.2286E+02 -9.6058E+02 -2.8841E+02
OH            3050    0.000000   -0.683000
 -1.4798E+01 -1.6205E+01 -3.0320E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3051    1.008000    0.418000
 -1.4041E+01 -1.5640E+01 -2.9835E+00
  1.3568E+01 -1.6478E+01 -8.9134E+00
  7.6664E+02 -1.2954E+03 -3.4371E+03
HC            3052    1.008000    0.040000
 -1.6204E+01 -1.6468E+01 -1.6784E+00
 -6.0284E+00  4.2143E+00  3.9619E-01
 -2.2822E+03  1.9233E+03  1.3175E+03
HC            3053    1.008000    0.040000
 -1.6376E+01 -1.4882E+01 -2.5089E+00
 -2.2194E+01 -1.3634E+01  5.1586E+00
 -1.3004E+03 -2.2834E+03 -7.0088E+02
HC            3054    1.008000    0.040000
 -1.5194E+01 -1.5018E+01 -1.3265E+00
  1.9952E+00 -8.4514E-01 -3.7992E+00
  1.8388E+03 -2.5494E+03  6.8050E+02
CT            3055   12.011000    0.145000
  1.1609E+01  1.6043E+01  2.8773E+00
 -1.4236E+00 -1.5079E+00  2.9978E+00
 -6.8432E+02 -8.9091E+02  1.6695E+03
OH            3056    0.000000   -0.683000
  1.2326E+01  1.4857E+01  2.6171E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3057    1.008000    0.418000
  1.3244E+01  1.5022E+01  2.7664E+00
  5.8871E+00 -2.0520E+01 -9.8536E+00
  1.4339E+02 -2.4415E+03 -5.0266E+02
HC            3058    1.008000    0.040000
  1.0564E+01  1.5876E+01  2.6139E+00
 -8.7188E-01  5.0849E-02 -2.2764E-01
 -6.6625E+01  1.5317E+03 -8.5171E+02
HC            3059    1.008000    0.040000
  1.2051E+01  1.6903E+01  2.3760E+00
 -1.2207E+01  1.8738E+01  2.6112E+01
 -1.7968E+03 -8.3717E+02 -4.7110E+02
HC            3060    1.008000    0.040000
  1.1669E+01  1.6242E+01  3.9473E+00
 -9.0752E-01  4.4190E+00  1.8986E+00
  3.7543E+02  1.1794E+03 -1.2619E+02
CT            3061   12.011000    0.145000
 -1.0791E+01 -3.3266E+00  1.3815E+01
  1.0251E+00  6.0955E+00 -3.7182E+00
 -2.6504E+03  2.8156E+03 -5.2800E+02
OH            3062    0.000000   -0.683000
 -1.0520E+01 -2.6459E+00  1.5020E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3063    1.008000    0.418000
 -9.6750E+00 -2.9375E+00  1.5326E+01
  1.4430E+00  1.1440E+01  7.5263E+00
 -1.4229E+02  3.5730E+02  1.7605E+02
HC            3064    1.008000    0.040000
 -1.0191E+01 -2.9211E+00  1.3001E+01
  1.8044E+01 -3.6259E-01  5.1188E+00
  2.9218E+03 -2.5123E+03  1.0608E+03
HC            3065    1.008000    0.040000
 -1.1791E+01 -3.1531E+00  1.3417E+01
 -5.5032E+00  5.4494E+00  1.1675E+01
 -1.2729E+03  4.4920E+02  2.9163E+03
HC            3066    1.008000    0.040000
 -1.0745E+01 -4.4011E+00  1.3992E+01
 -2.9928E+00  8.3829E+00  1.2886E+01
  1.8387E+03  5.3404E+02 -1.0913E+03
CT            3067   12.011000    0.145000
  5.8113E+00  1.8464E+01  1.9825E+01
 -5.1259E+00 -2.3558E+00 -3.2500E+00
  1.5857E+03 -2.1015E+03 -9.2015E+03
OH            3068    0.000000   -0.683000
  5.4734E+00  1.9772E+01  1.9422E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3069    1.008000    0.418000
  6.2663E+00  2.0255E+01  1.9246E+01
 -7.1339E+00  5.9583E+00 -1.8080E+01
  5.0247E+02 -1.5861E+03  1.0428E+03
HC            3070    1.008000    0.040000
  6.5756E+00  1.8353E+01 -2.0306E+01
  6.8335E+00  2.4193E+01 -1.0152E+01
 -1.8148E+03  1.6974E+03  3.3515E+02
HC            3071    1.008000    0.040000
  6.2707E+00  1.8170E+01  1.8881E+01
 -1.9844E+00  3.2143E+01 -1.3860E+01
  1.7622E+03 -2.6069E+02  1.5615E+03
HC            3072    1.008000    0.040000
  4.9822E+00  1.7757E+01  1.9848E+01
  3.7306E+00 -1.2866E+01  2.3990E+00
 -1.7345E+02  6.0882E+02  3.2000E+03
CT            3073   12.011000    0.145000
  5.0329E+00 -9.6477E+00 -6.8056E+00
  2.8706E+00 -2.2177E+00 -2.1268E+00
 -8.7457E+01 -1.7421E+02  6.8178E+01
OH            3074    0.000000   -0.683000
  5.1818E+00 -1.0508E+01 -5.6988E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3075    1.008000    0.418000
  4.3020E+00 -1.0512E+01 -5.3538E+00
  4.8898E+00 -1.9906E+01  1.4080E+01
  2.2189E+03 -1.3181E+03  4.8928E+03
HC            3076    1.008000    0.040000
  5.8963E+00 -9.7619E+00 -7.4611E+00
  8.2737E+00  1.2498E+01  2.0251E+00
 -8.8875E+02  1.1482E+03 -9.9414E+02
HC            3077    1.008000    0.040000
  4.9456E+00 -8.6049E+00 -6.5005E+00
  3.3970E+01 -4.8235E+00  2.0553E+01
  2.5109E+03 -1.2109E+03  1.2854E+03
HC            3078    1.008000    0.040000
  4.0729E+00 -9.8777E+00 -7.2680E+00
  8.9104E-01 -2.8423E+00  2.2435E+00
  1.2753E+03 -1.4122E+03 -1.7991E+03
CT            3079   12.011000    0.145000
  1.1575E+01 -1.0690E+01  1.7066E+01
  3.2903E-01 -2.5347E+00  2.6634E+00
  3.0816E+03 -4.1683E+03  1.1634E+03
OH            3080    0.000000   -0.683000
  1.0718E+01 -1.1550E+01  1.6349E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3081    1.008000    0.418000
  1.0246E+01 -1.0924E+01  1.5822E+01
 -7.4401E-01 -1.6209E+01 -1.9818E+01
 -3.9499E+02 -3.1252E+03 -2.8489E+03
HC            3082    1.008000    0.040000
  1.2150E+01 -1.1259E+01  1.7797E+01
  2.5394E+00 -9.8592E+00 -4.6315E+00
 -1.0774E+03 -1.3536E+03  2.2532E+02
HC            3083    1.008000    0.040000
  1.1193E+01 -9.8135E+00  1.7590E+01
 -1.6992E+01  1.4113E+00 -1.5336E+01
 -4.2720E+03 -1.5978E+03 -1.6411E+03
HC            3084    1.008000    0.040000
  1.2343E+01 -1.0262E+01  1.6423E+01
 -1.7357E+01  1.9262E+01 -5.2637E+00
 -2.2688E+03  1.9826E+03 -6.2629E+02
CT            3085   12.011000    0.145000
 -9.2516E+00  2.0139E+00  8.0385E+00
  2.4839E+00 -1.2631E-01 -1.7036E+00
 -1.8521E+03  5.7591E+02 -9.5022E+02
OH            3086    0.000000   -0.683000
 -9.5570E+00  6.8029E-01  7.6975E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3087    1.008000    0.418000
 -9.3794E+00  5.7098E-01  6.7758E+00
  1.2206E+01 -4.8539E+00  2.7321E+00
  1.5331E+03  7.4866E+02  3.4027E+02
HC            3088    1.008000    0.040000
 -8.9918E+00  2.6296E+00  7.1774E+00
  8.3212E+00 -8.8365E+00 -6.3228E+00
  5.8362E+01 -2.5680E+03 -1.8588E+03
HC            3089    1.008000    0.040000
 -8.5147E+00  2.1770E+00  8.8250E+00
 -2.5520E+01 -1.0832E+01  2.9103E+01
 -9.8168E+02 -3.1193E+03 -8.8079E+02
HC            3090    1.008000    0.040000
 -1.0151E+01  2.5282E+00  8.3763E+00
 -2.0130E+01 -3.0877E+01 -1.0568E+01
 -1.5337E+02 -2.9215E+03  7.9853E+02
CT            3091   12.011000    0.145000
 -1.2473E+01 -6.3091E-01  1.8146E+00
 -5.0356E+00 -5.3491E+00 -3.7347E+00
  7.0075E+01  2.1256E+03 -3.4578E+03
OH            3092    0.000000   -0.683000
 -1.1356E+01 -1.2535E+00  1.2193E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3093    1.008000    0.418000
 -1.1467E+01 -2.1118E+00  1.5989E+00
  1.0532E+01 -1.5252E-01  3.0456E+00
  2.1217E+03 -2.2773E+02 -2.7594E+00
HC            3094    1.008000    0.040000
 -1.3379E+01 -1.0091E+00  1.3416E+00
  3.3822E+00 -1.3792E+01 -1.3622E+01
  5.1455E+02  1.3620E+03 -1.7585E+03
HC            3095    1.008000    0.040000
 -1.2312E+01  4.4506E-01  1.7455E+00
  1.5221E+01 -7.9625E+00 -3.5461E+00
  1.2642E+02 -2.9305E+02 -1.4239E+03
HC            3096    1.008000    0.040000
 -1.2743E+01 -6.9232E-01  2.8686E+00
  3.0095E+00 -2.5877E-01 -1.2803E+00
  4.6093E+03 -3.0356E+03  6.3856E+02
CT            3097   12.011000    0.145000
  4.2872E+00  1.1434E+01 -7.5083E-01
  1.6287E+00 -1.4830E+00 -2.9599E+00
  7.3728E+02 -2.2113E+03 -7.0110E+02
OH            3098    0.000000   -0.683000
  3.0210E+00  1.1119E+01 -1.2851E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3099    1.008000    0.418000
  3.1288E+00  1.0192E+01 -1.4310E+00
  2.6672E-01 -3.7747E+00  2.1048E+01
 -2.6274E+03  8.3117E+02 -2.3970E+03
HC            3100    1.008000    0.040000
  5.0862E+00  1.1336E+01 -1.4858E+00
  4.4289E+00  1.0409E+01 -1.7033E+00
 -1.0847E+03  7.1323E+02 -1.2411E+03
HC            3101    1.008000    0.040000
  4.5290E+00  1.0709E+01  2.6226E-02
 -2.5003E+01 -3.3374E+00  4.5868E+00
 -1.5376E+03  6.8076E+02  4.7155E+02
HC            3102    1.008000    0.040000
  4.4366E+00  1.2427E+01 -3.2736E-01
  5.1332E+00 -1.5763E+00 -3.9463E+00
 -2.2039E+03  2.8857E+02 -5.0034E+02
CT            3103   12.011000    0.145000
 -6.2978E+00 -6.5077E+00  3.2925E+00
 -4.7112E+00  2.0576E-01  2.8753E+00
  1.6456E+03  1.9208E+02 -1.0643E+01
OH            3104    0.000000   -0.683000
 -5.9159E+00 -7.6715E+00  3.9909E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3105    1.008000    0.418000
 -5.1156E+00 -7.3206E+00  4.3507E+00
 -1.3878E+01  2.6808E+01  7.4189E+00
 -5.7450E+02 -2.6255E+03  4.3289E+02
HC            3106    1.008000    0.040000
 -5.4514E+00 -5.9493E+00  2.8925E+00
 -2.1419E+01  3.4795E+00 -3.1612E+01
 -5.3892E+02 -1.6914E+03 -1.9868E+02
HC            3107    1.008000    0.040000
 -6.7982E+00 -5.7235E+00  3.8606E+00
  2.6467E+00  1.5017E+01 -1.0298E+01
 -3.7533E+02 -1.7703E+03  9.0740E+02
HC            3108    1.008000    0.040000
 -6.8771E+00 -6.6667E+00  2.3829E+00
 -9.6939E-01 -1.3923E+00  7.4834E-01
 -4.7386E+02 -1.5861E+03  7.0528E+02
CT            3109   12.011000    0.145000
 -1.3308E+01  1.9081E+01  2.3755E+00
  2.2887E+00  2.1517E+00  6.8134E+00
 -2.1055E+03 -9.9189E+02 -4.8341E+03
OH            3110    0.000000   -0.683000
 -1.3474E+01  2.0429E+01  1.9970E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3111    1.008000    0.418000
 -1.3675E+01  2.0447E+01  1.0740E+00
 -9.5386E+00 -5.1645E-01  1.9730E+00
  1.2986E+03  1.9872E+02 -1.1769E+02
HC            3112    1.008000    0.040000
 -1.2391E+01  1.8771E+01  1.8737E+00
  1.5576E+01  1.5423E+01  2.1757E+01
 -7.3271E+02 -1.8478E+03  9.3046E+02
HC            3113    1.008000    0.040000
 -1.4218E+01  1.8701E+01  1.9097E+00
  1.9533E+00  9.2537E+00  1.5167E+00
  9.8293E+02 -3.0852E+03  2.0441E+02
HC            3114    1.008000    0.040000
 -1.3334E+01  1.8742E+01  3.4113E+00
 -8.8235E+00 -5.2181E+00  4.3055E+00
  7.7959E+02  2.2193E+03  6.8201E+01
CT            3115   12.011000    0.145000
  1.5451E+01  1.3376E+01  1.2590E+01
  5.1891E-01  8.0565E-01 -1.3160E+01
  1.3385E+03 -6.1036E+02 -6.4447E+02
OH            3116    0.000000   -0.683000
  1.6724E+01  1.2769E+01  1.2616E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3117    1.008000    0.418000
  1.7447E+01  1.3367E+01  1.2500E+01
 -2.0815E+00 -8.4345E-01 -2.1197E+01
 -1.1343E+03  5.9211E+02 -3.8004E+02
HC            3118    1.008000    0.040000
  1.5468E+01  1.3916E+01  1.1643E+01
  1.0660E+01  4.0462E+00 -1.1248E+01
 -2.1494E+03  3.1502E+03  1.9357E+03
HC            3119    1.008000    0.040000
  1.5358E+01  1.3935E+01  1.3521E+01
  3.6562E+00 -1.6291E+00 -1.1364E+01
 -6.6360E+02  2.4676E+03 -1.7357E+03
HC            3120    1.008000    0.040000
  1.4631E+01  1.2659E+01  1.2558E+01
 -4.9556E+00  6.9515E+00 -1.2629E+01
  3.4002E+02 -2.1267E+02  1.4563E+02
CT            3121   12.011000    0.145000
 -4.3311E+00 -1.0489E+01  5.7136E+00
  2.7070E-01 -9.1629E-01 -6.8994E+00
 -6.3074E+03 -5.7508E+02  1.9753E+03
OH            3122    0.000000   -0.683000
 -4.2457E+00 -1.1882E+01  5.9090E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3123    1.008000    0.418000
 -3.3240E+00 -1.2056E+01  5.7936E+00
  1.6456E-02 -7.9044E+00  1.0524E+01
 -1.1764E+03 -1.9286E+03 -3.7902E+03
HC            3124    1.008000    0.040000
 -5.2963E+00 -1.0325E+01  6.1927E+00
 -4.6383E+00 -1.5492E+01 -1.1276E+01
 -1.3251E+03  1.5038E+03 -2.6051E+03
HC            3125    1.008000    0.040000
 -4.3817E+00 -1.0175E+01  4.6708E+00
  9.7164E+00  9.9041E+00 -4.3099E+00
  5.3630E+02  1.2724E+02  3.2743E+02
HC            3126    1.008000    0.040000
 -3.7148E+00 -9.7863E+00  6.2750E+00
  5.7640E-01  1.1062E+01 -2.1577E+01
  2.5851E+03 -2.1857E+03 -1.3038E+03
CT            3127   12.011000    0.145000
 -1.9170E+01  8.4227E+00  1.6652E+01
  3.2938E+00 -4.7530E+00  8.1248E-02
 -3.5929E+02  1.2286E+03 -3.9570E+03
OH            3128    0.000000   -0.683000
 -1.8015E+01  9.2307E+00  1.6688E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3129    1.008000    0.418000
 -1.7740E+01  9.4137E+00  1.5803E+01
  1.5207E+01 -7.2428E+00  2.8906E+00
 -9.5890E+02 -1.4768E+03 -2.4261E+02
HC            3130    1.008000    0.040000
 -1.9834E+01  8.8149E+00  1.5882E+01
  2.0427E+01  1.0730E+01 -7.5907E+00
  8.3324E+02 -4.8987E+02 -6.4295E+02
HC            3131    1.008000    0.040000
 -1.9690E+01  8.5679E+00  1.7598E+01
  5.7486E+00  6.7836E+00 -1.9159E-01
  1.5488E+03 -3.1058E+03  7.0952E+02
HC            3132    1.008000    0.040000
 -1.8746E+01  7.4585E+00  1.6371E+01
  7.7612E+00 -2.2252E+00 -1.9649E+00
 -3.4547E+03 -1.7939E+03  1.6005E+03
CT            3133   12.011000    0.145000
  1.6422E+00 -1.7439E+01  1.5162E+01
 -5.9743E+00 -3.0075E+00  1.3564E+00
 -3.2262E+03 -8.8990E+02  3.7167E+03
OH            3134    0.000000   -0.683000
  9.9168E-01 -1.6197E+01  1.5018E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3135    1.008000    0.418000
  1.5649E+00 -1.5708E+01  1.4447E+01
 -1.5800E+01  7.4814E+00 -1.0181E+01
 -1.0025E+03  1.2152E+03  6.3713E+02
HC            3136    1.008000    0.040000
  2.1891E+00 -1.7838E+01  1.4308E+01
 -1.4718E+01 -2.2349E+01  4.2498E+00
 -6.1321E+02  1.9328E+03 -1.1920E+02
HC            3137    1.008000    0.040000
  8.6366E-01 -1.8178E+01  1.5354E+01
 -1.8019E+01  6.7950E+00 -8.0775E+00
 -3.9792E+01  7.3609E+01  9.8564E+01
HC            3138    1.008000    0.040000
  2.2985E+00 -1.7513E+01  1.6030E+01
 -2.5329E+00 -2.3420E+01 -2.4634E+00
  3.9961E+02  1.2197E+03 -7.0134E+02
CT            3139   12.011000    0.145000
  5.5493E+00  3.8909E+00 -1.8410E+01
  1.5603E+00  9.6156E-02 -7.5333E-01
  3.5456E+03  3.3868E+03 -3.1664E+03
OH            3140    0.000000   -0.683000
  5.0084E+00  3.3517E+00 -1.9595E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3141    1.008000    0.418000
  4.4992E+00  2.6615E+00 -1.9199E+01
 -1.3537E+01 -5.8380E+00 -2.5363E+01
 -2.3341E+03 -9.4618E+02 -5.2758E+03
HC            3142    1.008000    0.040000
  6.0739E+00  4.7956E+00 -1.8717E+01
  1.3141E+01 -1.3197E+01 -2.2683E+01
  1.7297E+03 -1.1894E+03  9.8103E+01
HC            3143    1.008000    0.040000
  6.2384E+00  3.1349E+00 -1.8034E+01
 -4.6508E-01  3.0850E+00  9.2634E+00
  6.0758E+02  1.4085E+03  1.2974E+03
HC            3144    1.008000    0.040000
  4.9503E+00  4.1576E+00 -1.7539E+01
  6.3657E+00 -1.8634E+01  8.8245E+00
 -2.7947E+03 -2.1718E+03 -2.1640E+03
CT            3145   12.011000    0.145000
 -2.2060E+00  5.4224E+00 -9.0619E+00
 -4.0108E+00 -1.8517E+00  1.9004E-01
 -8.0358E+03  1.4149E+03 -1.1653E+03
OH            3146    0.000000   -0.683000
 -2.0918E+00  5.0465E+00 -1.0416E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3147    1.008000    0.418000
 -1.1620E+00  5.1799E+00 -1.0520E+01
  7.6624E+00 -2.5741E+01  2.3341E+01
 -1.1179E+03 -9.3173E+02  2.7785E+02
HC            3148    1.008000    0.040000
 -1.4060E+00  5.3482E+00 -8.3253E+00
 -1.4515E+01  2.7706E+00  1.2447E+01
  8.3929E+02 -1.6713E+03 -2.6406E+03
HC            3149    1.008000    0.040000
 -3.1110E+00  4.9634E+00 -8.6637E+00
 -1.5397E+01  9.0519E+00 -1.2114E+01
  1.0865E+03 -1.5041E+03  5.3366E+02
HC            3150    1.008000    0.040000
 -2.5412E+00  6.4548E+00 -8.9626E+00
  2.3643E+01  7.6853E+00  3.0669E+00
  3.0188E+03  1.0862E+03 -2.7053E+03
CT            3151   12.011000    0.145000
 -7.4705E+00  1.9341E-01 -8.6450E+00
  3.1029E+00  6.2792E+00 -1.0504E+00
 -3.9624E+02 -2.1236E+03 -7.9297E+02
OH            3152    0.000000   -0.683000
 -8.3598E+00  4.4680E-01 -9.7095E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3153    1.008000    0.418000
 -7.8452E+00  4.1883E-01 -1.0502E+01
  8.0521E+00 -7.4243E+00  5.3055E+00
  3.3204E+03  1.4933E+03  2.1999E+03
HC            3154    1.008000    0.040000
 -6.8163E+00  1.0395E+00 -8.4348E+00
  1.8261E+00  5.9965E+00  4.2001E+00
 -4.7860E+02 -1.3194E+02  1.1056E+03
HC            3155    1.008000    0.040000
 -6.9104E+00 -6.9050E-01 -8.9500E+00
 -1.2100E+01 -4.1313E+00  8.0543E-02
  5.8743E+02  1.6004E+02  1.3844E+03
HC            3156    1.008000    0.040000
 -8.1207E+00 -1.0553E-01 -7.8228E+00
  1.9684E+01 -5.9544E+00  8.2347E+00
  2.6126E+03  9.6236E+02  2.0237E+03
CT            3157   12.011000    0.145000
  8.7877E+00 -1.6431E+01 -3.0356E+00
  6.8798E-01 -5.7786E-02  3.6994E-01
 -8.5826E+02 -7.2220E+01 -3.2316E+02
OH            3158    0.000000   -0.683000
  9.2103E+00 -1.7395E+01 -3.9740E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3159    1.008000    0.418000
  9.8694E+00 -1.6910E+01 -4.4470E+00
  1.0831E+01  7.4010E+00  2.1344E+01
 -1.3542E+03 -2.2969E+03 -2.1903E+03
HC            3160    1.008000    0.040000
  8.3082E+00 -1.6905E+01 -2.1795E+00
  8.7100E+00 -9.8455E+00 -3.7484E-01
 -2.0487E+03 -2.1126E+02 -1.5111E+03
HC            3161    1.008000    0.040000
  8.1939E+00 -1.5711E+01 -3.5992E+00
  2.5516E+01  1.9976E+00 -2.5454E+01
  2.9710E+01 -7.2738E+02  1.5368E+03
HC            3162    1.008000    0.040000
  9.5524E+00 -1.5838E+01 -2.5338E+00
 -1.4016E+00  5.6006E+00 -3.0353E+00
  1.8926E+03 -7.2458E+02 -2.3095E+03
CT            3163   12.011000    0.145000
 -1.8271E+01  7.5474E+00 -1.3992E+01
 -2.2613E+00  5.5356E+00 -6.1497E+00
 -4.6000E+02 -5.3122E+03 -1.9199E+02
OH            3164    0.000000   -0.683000
 -1.9612E+01  7.4604E+00 -1.3566E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3165    1.008000    0.418000
 -1.9719E+01  8.2754E+00 -1.3099E+01
 -3.4363E+00  2.4252E+00 -4.9413E+00
 -2.3565E+03 -1.1053E+03  1.2561E+03
HC            3166    1.008000    0.040000
 -1.7975E+01  6.5784E+00 -1.4395E+01
  3.5562E+01  5.6863E+00  1.6445E+01
  4.1977E+02  1.9035E+03 -5.1048E+02
HC            3167    1.008000    0.040000
 -1.7590E+01  7.6367E+00 -1.3146E+01
 -1.1091E+01  1.6986E+01  3.3434E-02
 -1.0994E+03  1.2729E+03  5.0318E+02
HC            3168    1.008000    0.040000
 -1.8039E+01  8.3286E+00 -1.4716E+01
  1.5816E+01 -8.7780E-01 -7.7863E+00
 -2.2476E+02 -2.8090E+02  6.4999E+02
CT            3169   12.011000    0.145000
  9.0906E+00  1.5649E+01  8.9739E+00
  1.3715E-01  1.5716E+00 -7.7262E-01
  2.1227E+03 -2.3692E+03 -1.2132E+03
OH            3170    0.000000   -0.683000
  1.0071E+01  1.6024E+01  9.9156E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3171    1.008000    0.418000
  1.0050E+01  1.5296E+01  1.0518E+01
 -7.5501E+00  6.5101E+00  7.8615E+00
  2.7189E+03  1.0841E+03  1.0691E+03
HC            3172    1.008000    0.040000
  9.4760E+00  1.5366E+01  7.9943E+00
  1.1329E+01  7.8698E+00  1.6391E+00
  3.5475E+03  2.4194E+02  1.1213E+03
HC            3173    1.008000    0.040000
  8.2600E+00  1.6262E+01  8.6247E+00
 -1.7456E+01 -2.3430E+01 -5.5924E+00
  1.3614E+03  1.7749E+03  4.5263E+03
HC            3174    1.008000    0.040000
  8.6582E+00  1.4717E+01  9.3392E+00
 -6.3719E+00  1.1348E+01  1.7771E+01
 -1.2862E+03  1.1374E+03  6.1145E+02
CT            3175   12.011000    0.145000
  5.4211E-01  2.0241E+01  4.3881E+00
  3.3630E+00  1.0322E+00 -6.9355E+00
  2.4145E+03 -3.3690E+03  5.8763E+03
OH            3176    0.000000   -0.683000
  1.2304E+00 -1.9539E+01  4.8973E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3177    1.008000    0.418000
  5.3681E-01 -1.8931E+01  5.1025E+00
 -5.5561E-01  1.5147E+00 -6.1657E+00
  2.0755E+03  1.7773E+03  1.3302E+03
HC            3178    1.008000    0.040000
 -4.9841E-01 -2.0377E+01  4.2281E+00
 -8.1225E-01 -5.4066E+00  7.2251E+00
  1.1554E+03 -2.2720E+03 -5.2833E+03
HC            3179    1.008000    0.040000
  4.6717E-01  1.9560E+01  5.2363E+00
 -9.7319E-01  1.3363E+01  2.8879E+00
 -2.1349E+03  3.3233E+02  5.3407E+02
HC            3180    1.008000    0.040000
  1.1759E+00  1.9702E+01  3.6836E+00
 -2.3876E+01  1.5079E-01 -3.2770E+01
 -4.5705E+03  8.8299E+02 -3.9334E+03
CT            3181   12.011000    0.145000
  1.8613E+01 -3.1876E+00 -8.0120E+00
  2.1106E-01 -9.8058E-02  2.3728E+00
  2.0002E+01  3.5912E+02  1.3356E+03
OH            3182    0.000000   -0.683000
  1.9943E+01 -2.7296E+00 -8.1138E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3183    1.008000    0.418000
  2.0226E+01 -2.6155E+00 -7.2193E+00
 -2.2215E+00  1.0739E+01 -5.3226E-01
 -4.0436E+02 -2.1462E+03  1.5587E+02
HC            3184    1.008000    0.040000
  1.8437E+01 -4.2599E+00 -8.0976E+00
  3.1210E+00 -1.1710E+00  9.1745E+00
  4.0925E+03 -5.5677E+02 -3.3881E+02
HC            3185    1.008000    0.040000
  1.7810E+01 -2.7452E+00 -8.6014E+00
  1.2264E+01  1.2909E+01 -4.9103E+00
  4.5694E+03  2.4151E+03 -4.3413E+03
HC            3186    1.008000    0.040000
  1.8084E+01 -3.0101E+00 -7.0759E+00
  4.2504E+00  2.6693E+00  4.1618E+00
  4.6619E+03  1.5840E+03  2.4779E+03
CT            3187   12.011000    0.145000
 -1.6730E+01 -2.3879E+00 -7.6984E+00
  1.3971E+00  5.3814E-01 -1.7084E+00
 -2.1379E+03  1.1974E+03  6.4717E+03
OH            3188    0.000000   -0.683000
 -1.5770E+01 -3.2908E+00 -7.1954E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3189    1.008000    0.418000
 -1.6218E+01 -3.9071E+00 -6.6362E+00
  5.5018E+00  2.8050E+00  7.6699E+00
  3.0336E+03 -2.2661E+02  2.1892E+03
HC            3190    1.008000    0.040000
 -1.7176E+01 -1.9579E+00 -6.8018E+00
  1.0482E+00 -5.3082E+00  9.6823E-01
  2.9889E+03  2.8837E+03  6.2323E+02
HC            3191    1.008000    0.040000
 -1.7713E+01 -2.7496E+00 -7.9975E+00
  7.5332E+00 -3.3101E+00 -1.8339E+01
  2.4883E+03 -2.2500E+03 -5.6612E+03
HC            3192    1.008000    0.040000
 -1.6245E+01 -1.5899E+00 -8.2606E+00
 -9.2057E+00  1.6590E+01  1.0986E+01
 -3.1095E+03  3.4981E-01 -1.1864E+03
CT            3193   12.011000    0.145000
 -1.2462E+01  2.9006E+00 -3.7598E+00
  2.7852E+00 -9.3243E-01 -9.5254E-01
 -6.6090E+03 -5.1935E+02  1.0184E+03
OH            3194    0.000000   -0.683000
 -1.2730E+01  3.4198E+00 -5.0429E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3195    1.008000    0.418000
 -1.3627E+01  3.7175E+00 -5.0388E+00
  1.1053E+00  3.5805E+00  1.0160E+01
  6.9994E+02  1.9151E+03  1.1215E+03
HC            3196    1.008000    0.040000
 -1.1550E+01  2.3063E+00 -3.6976E+00
  1.0432E+01  1.1200E+01  7.2957E+00
  2.1796E+03  4.3178E+03  2.0828E+03
HC            3197    1.008000    0.040000
 -1.3229E+01  2.2094E+00 -3.4096E+00
 -4.0790E+00  9.5544E+00  5.2784E+00
 -1.0554E+03 -2.2359E+02 -2.0960E+03
HC            3198    1.008000    0.040000
 -1.2719E+01  3.7085E+00 -3.0748E+00
 -1.5483E+00 -2.9952E+01  3.4762E+01
  5.9092E+03 -2.1194E+03  2.3266E+03
CT            3199   12.011000    0.145000
 -8.8771E+00 -4.3282E+00  5.7940E+00
  1.8296E+00  2.5352E+00  4.7111E+00
  1.7596E+03  1.5708E+03  4.1784E+03
OH            3200    0.000000   -0.683000
 -9.8822E+00 -4.9866E+00  6.5319E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3201    1.008000    0.418000
 -9.5653E+00 -5.1114E+00  7.4134E+00
  4.5528E+00 -1.7402E+01 -3.7175E+00
 -9.9258E+01  2.8837E+03 -1.8688E+02
HC            3202    1.008000    0.040000
 -8.9660E+00 -3.2761E+00  6.0650E+00
  7.9417E+00  7.1274E+00 -1.0088E+01
 -1.2610E+03  1.2160E+03 -4.5362E+03
HC            3203    1.008000    0.040000
 -9.0660E+00 -4.6254E+00  4.7625E+00
 -1.4349E+00  1.4515E+01  1.6985E+00
  1.7931E+03  3.5932E+03 -9.1209E+02
HC            3204    1.008000    0.040000
 -7.8672E+00 -4.5702E+00  6.1252E+00
 -1.5250E+00 -3.1442E+01 -6.0190E+00
 -7.5039E+02 -3.2066E+03 -1.6752E+03
CT            3205   12.011000    0.145000
  8.7997E+00  7.2893E+00 -9.3119E+00
  2.2887E+00  2.2750E-01 -3.3310E+00
  6.7382E+01 -2.7868E+02 -9.8988E+02
OH            3206    0.000000   -0.683000
  9.2395E+00  5.9673E+00 -9.0951E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3207    1.008000    0.418000
  1.0089E+01  5.9864E+00 -8.6805E+00
  6.6625E-01 -2.7243E+01  1.6910E+00
  3.1382E+02 -7.2560E+02 -2.2937E+03
HC            3208    1.008000    0.040000
  9.1964E+00  7.9101E+00 -8.5086E+00
  9.9683E+00 -7.3127E+00 -1.1454E+00
  3.9330E+02  1.0065E+03 -1.2648E+03
HC            3209    1.008000    0.040000
  7.7169E+00  7.4136E+00 -9.3070E+00
  3.1580E+00  9.1865E+00  8.9772E+00
  1.1906E+01 -2.7123E+03  3.5003E+00
HC            3210    1.008000    0.040000
  9.1381E+00  7.5172E+00 -1.0323E+01
  1.1897E+01 -1.6884E+01 -4.3552E+00
  1.2744E+03  2.3389E+03  1.3954E+03
CT            3211   12.011000    0.145000
 -1.1572E+01 -7.6767E+00  7.6658E+00
  6.9721E+00  2.2644E+00  4.7227E+00
  1.0137E+03  1.4309E+03  8.3735E+03
OH            3212    0.000000   -0.683000
 -1.1956E+01 -6.3236E+00  7.5678E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3213    1.008000    0.418000
 -1.1349E+01 -5.8478E+00  7.0220E+00
 -1.9877E+01  1.6483E+01 -9.1246E+00
 -4.3373E+02 -8.6420E+01  8.3271E+02
HC            3214    1.008000    0.040000
 -1.1646E+01 -8.2246E+00  6.7264E+00
  2.1302E+00  5.9873E+00  2.8875E+00
 -1.2878E+02 -8.0888E+02  1.3228E+03
HC            3215    1.008000    0.040000
 -1.2265E+01 -7.9755E+00  8.4530E+00
 -1.5847E+01 -1.0031E+01 -1.8473E+01
 -1.7674E+03 -4.6862E+03 -3.4092E+03
HC            3216    1.008000    0.040000
 -1.0622E+01 -7.7694E+00  8.1920E+00
  9.4654E+00 -1.7472E+01 -2.4076E+00
  2.0087E+03 -1.0785E+03 -3.4796E+03
CT            3217   12.011000    0.145000
  1.7861E+00  6.6201E+00 -1.8561E+01
  1.1000E+00 -7.4828E+00 -4.8456E-01
  5.2610E+03  1.7961E+01 -6.2835E+03
OH            3218    0.000000   -0.683000
  7.6084E-01  6.5395E+00 -1.9526E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3219    1.008000    0.418000
  4.0941E-01  5.6728E+00 -1.9391E+01
 -2.8098E+00  5.6914E-01 -3.5007E+00
 -1.6531E+03  4.9162E+02 -1.0987E+03
HC            3220    1.008000    0.040000
  1.4522E+00  6.7877E+00 -1.7537E+01
 -1.5676E+01 -9.1598E+00 -5.3792E+00
 -1.7257E+01  1.0030E+02 -9.5953E+02
HC            3221    1.008000    0.040000
  2.4697E+00  7.3819E+00 -1.8936E+01
  3.7976E+00 -1.4057E+01 -9.2716E+00
 -4.9919E+02  1.7337E+03  2.0706E+03
HC            3222    1.008000    0.040000
  2.4554E+00  5.7744E+00 -1.8719E+01
  2.8756E+01  1.2720E+01  1.0908E+00
 -7.6421E+02 -5.8322E+01  3.1051E+03
CT            3223   12.011000    0.145000
  1.0492E+00 -1.4797E+01 -7.1144E+00
  9.3198E-01  1.8350E+00  3.3773E+00
  1.8986E+03  8.7599E+02  2.4747E+03
OH            3224    0.000000   -0.683000
  7.2540E-01 -1.5966E+01 -6.3948E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3225    1.008000    0.418000
  1.2116E+00 -1.6663E+01 -6.8073E+00
  2.4431E+01  9.4425E+00  1.0881E+01
 -4.4137E+02  3.8377E+02  7.8654E+02
HC            3226    1.008000    0.040000
  8.4493E-01 -1.4624E+01 -8.1711E+00
  1.7073E+01  2.2836E+01  3.0309E+00
 -1.2141E+03 -3.7496E+03  9.3737E+02
HC            3227    1.008000    0.040000
  2.1354E+00 -1.4799E+01 -7.0231E+00
  2.5292E-01 -1.3761E+01  1.5334E+01
 -2.7760E+02  1.9380E+03 -5.9470E+02
HC            3228    1.008000    0.040000
  5.8159E-01 -1.3923E+01 -6.6619E+00
 -2.5696E+01 -6.9507E-01 -1.6770E+01
  7.7808E+02 -8.5869E+02  4.9053E+01
CT            3229   12.011000    0.145000
  4.7357E+00 -8.3594E+00  1.9017E+01
 -4.7633E+00 -5.9134E+00  3.7234E-01
  1.2223E+03  3.7193E+01  7.3668E+02
OH            3230    0.000000   -0.683000
  5.7130E+00 -9.1750E+00  1.8410E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3231    1.008000    0.418000
  5.9383E+00 -9.8342E+00  1.9049E+01
 -3.3262E+01 -1.7727E+01 -4.3056E+00
 -1.0000E+03  1.0370E+03 -7.4264E+02
HC            3232    1.008000    0.040000
  3.8146E+00 -8.8560E+00  1.9322E+01
  9.3179E-02 -9.7467E+00  9.1752E+00
  8.2131E+02 -1.3800E+03 -3.5176E+02
HC            3233    1.008000    0.040000
  4.4188E+00 -7.5276E+00  1.8387E+01
 -2.1798E+01  6.3580E+00  2.3618E+01
  4.2967E+02  3.0370E+02  1.6517E+03
HC            3234    1.008000    0.040000
  5.2188E+00 -7.9849E+00  1.9919E+01
  3.8573E+00  1.0036E-01 -6.5629E+00
 -8.6144E+02  2.2694E+03 -5.1255E+02
CT            3235   12.011000    0.145000
  1.5094E+01 -1.5108E+01 -1.8479E+01
  5.8593E-01  2.5918E-01  8.6380E-01
  1.8177E+03 -4.3872E+03 -3.2456E+03
OH            3236    0.000000   -0.683000
  1.4338E+01 -1.6006E+01 -1.7698E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3237    1.008000    0.418000
  1.4612E+01 -1.5931E+01 -1.6797E+01
 -1.7423E+01  2.0932E+01  4.4099E+00
 -7.1019E+02  1.0582E+03 -5.8523E+02
HC            3238    1.008000    0.040000
  1.4593E+01 -1.5063E+01 -1.9447E+01
 -4.4745E-01 -1.3329E+01  5.7590E-01
 -8.6958E+02  3.4457E+03  8.7266E+02
HC            3239    1.008000    0.040000
  1.5987E+01 -1.5675E+01 -1.8743E+01
 -8.3972E-01 -1.0699E+01  1.8008E+01
  1.7083E+03  1.8006E+03  1.8538E+03
HC            3240    1.008000    0.040000
  1.5283E+01 -1.4154E+01 -1.7987E+01
 -1.3618E+01  1.3780E+01 -1.8334E+01
 -2.4285E+02  2.5739E+02 -2.4414E+03
CT            3241   12.011000    0.145000
  2.1630E+00  6.5164E-01 -1.8305E+01
  5.6851E-01 -9.0646E-01  1.2636E+00
 -6.0464E+02  4.1047E+02  5.7311E+03
OH            3242    0.000000   -0.683000
  3.3121E+00  1.4661E+00 -1.8240E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3243    1.008000    0.418000
  3.8738E+00  1.2047E+00 -1.7526E+01
  1.9745E+01  3.2987E+01 -1.3831E+00
 -2.0696E+03  1.6847E+03  2.1715E+02
HC            3244    1.008000    0.040000
  2.2658E+00 -2.3661E-01 -1.7681E+01
  1.9749E+01  4.0678E+00  5.8503E+00
  3.1295E+03 -8.4967E+02 -1.7245E+03
HC            3245    1.008000    0.040000
  1.7101E+00  3.5364E-01 -1.9250E+01
  1.0479E+01 -5.9262E+00 -2.0435E+00
  2.6230E+03  1.9006E+03 -1.3130E+03
HC            3246    1.008000    0.040000
  1.3505E+00  1.0647E+00 -1.7707E+01
 -5.4195E+00 -8.8670E+00 -1.1984E+00
 -4.0969E+01  3.4591E+03 -2.2511E+03
CT            3247   12.011000    0.145000
  1.9454E+01  1.1443E+01  7.0840E+00
 -4.1167E+00 -1.2140E+00  3.3504E+00
 -3.8266E+03 -2.0367E+03  1.6806E+03
OH            3248    0.000000   -0.683000
  1.8607E+01  1.2293E+01  6.3425E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3249    1.008000    0.418000
  1.7751E+01  1.1948E+01  6.1393E+00
  3.3539E+00 -1.5817E+01  1.0844E+01
  2.3116E+03 -6.0921E+03  7.0034E+02
HC            3250    1.008000    0.040000
  2.0309E+01  1.1831E+01  7.6365E+00
  1.1816E+01  5.6059E+00 -2.4199E+01
 -1.5728E+03  3.7129E+03 -2.1557E+03
HC            3251    1.008000    0.040000
  1.9967E+01  1.0769E+01  6.3979E+00
  7.5566E+00  1.7179E+01 -6.8238E+00
 -2.8395E+03 -1.7072E+03  1.0314E+03
HC            3252    1.008000    0.040000
  1.8829E+01  1.1029E+01  7.8759E+00
  1.9615E+01 -3.2338E+00  2.2161E+01
  1.4078E+03 -2.9294E+03 -1.0145E+03
CT            3253   12.011000    0.145000
 -1.8584E+01  1.1390E+01  1.4054E+01
 -1.0556E+00 -4.5554E+00  6.2202E+00
  1.2237E+03  6.9518E+02 -1.3198E+02
OH            3254    0.000000   -0.683000
 -1.7544E+01  1.0550E+01  1.3606E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3255    1.008000    0.418000
 -1.6724E+01  1.0923E+01  1.3892E+01
  3.1837E-01  1.6980E+00 -3.0719E+00
  1.4920E+02  1.2237E+03 -1.9825E+03
HC            3256    1.008000    0.040000
 -1.9550E+01  1.0994E+01  1.4368E+01
 -5.3080E+00 -4.7920E+00 -6.5974E+00
  1.4097E+03 -3.8968E+03 -1.5092E+03
HC            3257    1.008000    0.040000
 -1.8833E+01  1.2078E+01  1.3246E+01
  1.6544E+01  1.1370E+01  1.3581E+01
  2.2560E+03  1.1510E+03  7.3980E+02
HC            3258    1.008000    0.040000
 -1.8361E+01  1.2055E+01  1.4889E+01
  2.1206E+00 -1.0363E+01  1.0068E+01
  3.0100E+03 -7.6295E+02 -1.6114E+02
CT            3259   12.011000    0.145000
  5.7898E+00 -6.8524E+00  7.1278E+00
 -4.8626E-02  6.7261E+00 -5.5871E+00
 -2.6362E+03  1.3911E+03 -1.5265E+03
OH            3260    0.000000   -0.683000
  5.3156E+00 -6.0127E+00  8.1565E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3261    1.008000    0.418000
  4.3751E+00 -6.0930E+00  8.1117E+00
 -5.7007E+00  2.6197E+01  3.2731E+01
  7.5391E+02  2.3323E+03  4.1314E+03
HC            3262    1.008000    0.040000
  5.7797E+00 -7.8875E+00  7.4692E+00
 -7.1058E-01  1.0351E+01  5.8039E+00
  1.0573E+03  4.2254E+02  4.8675E+02
HC            3263    1.008000    0.040000
  6.7584E+00 -6.5969E+00  6.6982E+00
  1.3739E+01  1.3100E+00  2.0217E+01
  3.1015E+02  2.4426E+02  2.5515E+03
HC            3264    1.008000    0.040000
  5.1233E+00 -6.8080E+00  6.2664E+00
  1.4977E+01  4.0720E+01 -1.7222E+01
  1.9249E+02  1.4484E+03  1.2385E+03
CT            3265   12.011000    0.145000
  7.1719E+00 -1.2007E+00 -1.4504E+01
 -1.1978E+00  2.9550E+00  5.0773E-01
  2.2078E+03 -4.8612E+03 -2.0560E+03
OH            3266    0.000000   -0.683000
  8.4825E+00 -6.9073E-01 -1.4401E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3267    1.008000    0.418000
  8.3022E+00  2.1941E-01 -1.4221E+01
  7.6895E+00  6.4392E-01  4.9286E+00
  3.3599E+03  8.1078E+02 -8.5451E+02
HC            3268    1.008000    0.040000
  6.3671E+00 -9.7665E-01 -1.3804E+01
  1.1234E+00  6.7983E+00  1.9783E+00
  3.0699E+03  3.4633E+03  1.9350E+03
HC            3269    1.008000    0.040000
  7.2938E+00 -2.2790E+00 -1.4401E+01
  2.0349E+01  3.8469E+00 -1.0087E+01
  4.1998E+02 -4.6400E+01 -1.5760E+03
HC            3270    1.008000    0.040000
  6.7093E+00 -1.0092E+00 -1.5472E+01
 -1.2156E+01 -1.9002E+00  4.6182E+00
  1.5687E+03  4.7464E+02 -4.0207E+02
CT            3271   12.011000    0.145000
  2.0102E+00  1.6233E+01 -1.1707E+01
  1.3332E+00  4.8199E+00  4.1867E-01
 -2.7123E+02  6.2383E+03 -2.3684E+02
OH            3272    0.000000   -0.683000
  2.4241E+00  1.6231E+01 -1.3055E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3273    1.008000    0.418000
  1.7029E+00  1.6148E+01 -1.3660E+01
  9.7585E+00  5.8337E+00 -1.2923E+01
  1.0753E+03 -1.3743E+03 -6.6156E+02
HC            3274    1.008000    0.040000
  1.4895E+00  1.5342E+01 -1.1358E+01
  1.5666E+01 -4.9090E-01  9.1225E+00
  1.3258E+03  1.2836E+02  3.6075E+02
HC            3275    1.008000    0.040000
  1.3948E+00  1.7114E+01 -1.1523E+01
 -6.1191E-01  6.6113E+00 -1.3612E+01
 -2.0023E+03 -7.3456E+02 -1.3719E+03
HC            3276    1.008000    0.040000
  2.8601E+00  1.6555E+01 -1.1105E+01
  1.7410E+00  2.0495E+01 -8.0149E+00
 -9.1715E+01 -3.4660E+03  1.1426E+03
CT            3277   12.011000    0.145000
 -1.7098E+01  1.9180E+01  1.8806E+01
 -2.2456E+00  2.0310E+00  5.2893E+00
 -5.8140E+03 -3.2686E+03  3.7626E+03
OH            3278    0.000000   -0.683000
 -1.8047E+01  1.9948E+01  1.8101E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3279    1.008000    0.418000
 -1.8524E+01 -2.0384E+01  1.8686E+01
  6.0458E+00  4.5683E-01  4.5869E+00
 -2.6266E+02 -1.4159E+03  1.0671E+03
HC            3280    1.008000    0.040000
 -1.7661E+01  1.8416E+01  1.9343E+01
  2.4688E+01 -1.2533E+01  1.4710E+01
 -7.4015E+00  7.4009E+02  3.1782E+02
HC            3281    1.008000    0.040000
 -1.6572E+01  1.9691E+01  1.9611E+01
  4.1108E-01  1.7326E+01 -5.7039E+00
  8.0389E+02  1.3579E+03 -1.7827E+03
HC            3282    1.008000    0.040000
 -1.6436E+01  1.8507E+01  1.8262E+01
  9.9458E+00 -1.0393E+00  2.3070E+01
  3.6985E+02  2.9219E+03 -1.4404E+03
CT            3283   12.011000    0.145000
  6.3405E+00  1.8230E+01  1.5226E+01
  2.3094E+00  6.2532E-01 -6.5424E+00
  4.4213E+03 -1.3671E+03  3.9616E+03
OH            3284    0.000000   -0.683000
  6.2114E+00  1.6836E+01  1.5055E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3285    1.008000    0.418000
  6.0956E+00  1.6495E+01  1.5928E+01
  6.3231E-01 -1.6560E+01 -6.0373E+00
 -9.1955E+02 -3.6339E+03 -1.6222E+03
HC            3286    1.008000    0.040000
  7.2113E+00  1.8353E+01  1.5870E+01
 -1.5766E+01  9.9785E+00  1.7670E+01
  2.7212E+02  1.2273E+03 -1.5701E+03
HC            3287    1.008000    0.040000
  5.6111E+00  1.8636E+01  1.5927E+01
  1.6558E+01  2.1158E+01 -2.7010E+00
 -1.5636E+03  1.7621E+03 -3.7849E+03
HC            3288    1.008000    0.040000
  6.5039E+00  1.8666E+01  1.4241E+01
  5.4483E+00 -1.1852E+00 -6.8373E+00
 -2.6876E+03  2.8248E+03  1.2406E+03
CT            3289   12.011000    0.145000
 -1.8522E+01  1.8590E+01 -1.8337E+01
  5.5190E-01 -5.4897E-01  6.9397E-01
 -1.6646E+03  4.0260E+03  1.2308E+03
OH            3290    0.000000   -0.683000
 -1.9706E+01  1.7970E+01 -1.7888E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3291    1.008000    0.418000
 -2.0237E+01  1.8639E+01 -1.7483E+01
 -1.4348E+01 -1.0506E+01 -6.7412E-01
 -1.8947E+03 -2.7343E+03  1.7155E+03
HC            3292    1.008000    0.040000
 -1.8862E+01  1.9554E+01 -1.8717E+01
 -3.2061E+00  3.8867E+00  1.4707E+01
  1.2644E+03 -6.7806E+02 -2.5704E+03
HC            3293    1.008000    0.040000
 -1.7977E+01  1.8042E+01 -1.9105E+01
 -1.1868E+01  1.9689E+01 -2.4111E+01
 -1.0398E+03  7.5575E+02  6.9007E+02
HC            3294    1.008000    0.040000
 -1.7931E+01  1.8956E+01 -1.7497E+01
  6.6325E+00  1.9990E+01 -1.1782E+01
  1.0570E+03 -2.5006E+03 -4.7366E+02
CT            3295   12.011000    0.145000
  5.7741E-01 -6.0407E+00 -1.2838E+01
 -2.6568E+00 -7.2314E+00 -5.5966E+00
 -8.2095E+02  1.3979E+03  2.2514E+03
OH            3296    0.000000   -0.683000
  6.7669E-01 -6.9165E+00 -1.1737E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3297    1.008000    0.418000
 -1.1580E-01 -6.8689E+00 -1.1225E+01
 -6.2890E+00 -1.1827E+01 -8.1444E+00
 -8.8117E+02  3.6867E+03 -2.4096E+03
HC            3298    1.008000    0.040000
  3.5443E-01 -6.5692E+00 -1.3765E+01
  6.9119E+00  1.1986E+01 -1.9563E+01
 -1.3040E+02  1.6436E+03 -8.8908E+01
HC            3299    1.008000    0.040000
  1.4633E+00 -5.4189E+00 -1.2967E+01
  9.1617E+00 -2.2454E+01 -8.6991E-01
  1.4371E+03 -2.4733E+03 -4.2254E+02
HC            3300    1.008000    0.040000
 -1.8375E-01 -5.2994E+00 -1.2595E+01
 -7.4227E-01 -8.5096E+00  4.7498E+00
 -1.0726E+03 -7.0091E+02 -1.2046E+03
CT            3301   12.011000    0.145000
  1.6674E+01 -1.8606E+00  4.1784E+00
  1.4520E+00 -4.1469E+00 -3.0823E+00
  1.8848E+03 -5.8800E+03 -4.2823E+03
OH            3302    0.000000   -0.683000
  1.5360E+01 -2.3680E+00  4.2516E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3303    1.008000    0.418000
  1.5166E+01 -2.2908E+00  5.1732E+00
 -3.1295E+00 -4.5508E+01  5.4437E+00
 -2.5332E+03 -2.1907E+03 -2.2807E+03
HC            3304    1.008000    0.040000
  1.7283E+01 -2.5215E+00  4.7952E+00
 -6.8549E+00  8.0504E-01  1.0893E+01
 -1.2449E+02  3.5383E+03  4.2063E+03
HC            3305    1.008000    0.040000
  1.6796E+01 -7.8483E-01  4.3042E+00
  2.1812E+01 -4.5273E+00 -1.5147E+01
  1.1602E+03 -1.2414E+03  7.6012E+02
HC            3306    1.008000    0.040000
  1.7108E+01 -2.1687E+00  3.2275E+00
 -4.5616E+00  5.4556E+00 -9.1150E+00
 -3.1683E+03  3.1179E+03 -3.1087E+03
CT            3307   12.011000    0.145000
  1.6329E+01  9.4524E+00 -1.4161E+01
  5.9612E+00  2.2036E+00 -2.1530E-01
 -4.2219E+03 -5.8550E+03 -2.3453E+03
OH            3308    0.000000   -0.683000
  1.6060E+01  1.0038E+01 -1.5416E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3309    1.008000    0.418000
  1.6639E+01  1.0784E+01 -1.5457E+01
 -4.8194E+00  3.3591E+00 -1.0272E+01
 -1.5726E+03  1.0753E+03 -1.4426E+03
HC            3310    1.008000    0.040000
  1.5835E+01  8.4969E+00 -1.4338E+01
  8.0251E+00  1.8933E+00 -4.4263E+00
 -3.4724E+00 -1.1765E+03  3.0682E+03
HC            3311    1.008000    0.040000
  1.5675E+01  1.0038E+01 -1.3515E+01
 -3.1610E+01 -2.5357E+01 -9.7637E+00
  5.2165E+03 -2.5547E+03  2.5474E+03
HC            3312    1.008000    0.040000
  1.7405E+01  9.2865E+00 -1.4125E+01
  5.4496E+00  8.3663E-01  2.1604E+01
 -2.6715E+02  1.8895E+03  4.8767E+03
CT            3313   12.011000    0.145000
 -3.6502E+00  4.3221E+00  9.0816E+00
 -1.2843E+00  1.0019E+00 -1.7508E+00
 -1.1160E+03  5.0206E+03 -4.4727E+03
OH            3314    0.000000   -0.683000
 -2.8666E+00  3.6466E+00  8.1236E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3315    1.008000    0.418000
 -2.4395E+00  2.8934E+00  8.5020E+00
  2.2182E+01  8.2445E+00 -7.0152E+00
 -2.2215E+03  6.0121E+02  1.4660E+03
HC            3316    1.008000    0.040000
 -2.9646E+00  4.5828E+00  9.8879E+00
  5.4040E+00 -1.9351E+00 -6.3959E+00
 -2.4790E+03  9.0725E+02  1.2574E+03
HC            3317    1.008000    0.040000
 -4.6735E+00  4.0155E+00  9.2987E+00
 -4.0099E+00 -1.3100E+00 -1.6763E+01
  2.0289E+03 -3.7534E+03  1.8412E+03
HC            3318    1.008000    0.040000
 -3.8901E+00  5.1737E+00  8.4451E+00
  1.5995E+01  2.3481E+00 -6.9774E+00
  1.2548E+03  2.5747E+03  2.4915E+03
CT            3319   12.011000    0.145000
  1.9568E-01 -1.9274E+01  1.9375E+01
 -2.7742E-01  8.9474E-01 -3.1057E+00
 -2.5722E+02 -4.6621E+02 -3.5369E+03
OH            3320    0.000000   -0.683000
 -1.2060E+00 -1.9395E+01  1.9469E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3321    1.008000    0.418000
 -1.4333E+00 -1.8972E+01  2.0283E+01
  3.5679E+00  1.1127E+01 -4.5957E+00
 -3.3512E+02 -1.8158E+03  5.2933E+02
HC            3322    1.008000    0.040000
  6.1335E-01 -1.8331E+01  1.9729E+01
  6.8299E+00 -1.0504E+00 -6.1381E+00
 -1.3276E+03  8.6836E+02 -1.4628E+03
HC            3323    1.008000    0.040000
  3.1613E-01 -1.9343E+01  1.8294E+01
  2.6446E+01  2.1274E+01 -2.4824E+00
  3.8505E+03  9.8273E+02  6.9128E+02
HC            3324    1.008000    0.040000
  7.9464E-01 -2.0054E+01  1.9845E+01
 -9.2987E+00 -7.7992E+00 -5.6988E+00
 -2.2626E+03 -1.3694E+03  2.2906E+02
CT            3325   12.011000    0.145000
 -5.7842E+00 -2.0015E+01  1.7441E+01
 -1.2132E+00 -4.2186E+00  2.9979E+00
  8.9921E+02  5.7786E+02  2.5654E+03
OH            3326    0.000000   -0.683000
 -6.9773E+00 -1.9380E+01  1.7842E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3327    1.008000    0.418000
 -6.7954E+00 -1.8647E+01  1.8411E+01
 -1.1722E+01 -1.5629E+01  2.5704E+01
 -3.3138E+02 -1.1590E+03 -1.2062E+02
HC            3328    1.008000    0.040000
 -5.7835E+00  1.9813E+01  1.7244E+01
 -2.1846E+01 -2.8546E+00 -7.2123E+00
 -5.1996E+03  2.8813E+02 -4.5894E+02
HC            3329    1.008000    0.040000
 -5.1006E+00 -1.9899E+01  1.8282E+01
  7.8277E-01  2.6310E+01 -1.6661E+00
  1.4403E+03  2.3989E+03 -1.9892E+03
HC            3330    1.008000    0.040000
 -5.4574E+00 -1.9529E+01  1.6521E+01
  2.4983E-01  1.0242E+01  1.0850E+01
  2.2116E+03  3.3416E+02  1.3661E+03
CT            3331   12.011000    0.145000
 -5.1437E+00  7.5300E-01 -1.6211E+00
 -7.5188E+00  3.3939E+00  1.5200E+00
 -9.3991E+02  2.4297E+03 -1.8370E+03
OH            3332    0.000000   -0.683000
 -4.5156E+00  1.8263E+00 -9.5668E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3333    1.008000    0.418000
 -4.8414E+00  2.6173E+00 -1.3583E+00
  1.3808E+01  5.9328E+00 -7.9826E-02
 -2.2045E+03 -5.2508E+01  2.6173E+03
HC            3334    1.008000    0.040000
 -4.3991E+00 -4.1268E-02 -1.6732E+00
 -2.0714E+01 -1.0760E+01  1.6954E+01
 -3.6921E+03 -3.0800E+03  1.7154E+03
HC            3335    1.008000    0.040000
 -5.3538E+00  1.0472E+00 -2.6495E+00
  9.9153E+00 -5.4160E-01 -3.5025E+00
  3.5129E+02 -5.0820E+01 -6.7876E+00
HC            3336    1.008000    0.040000
 -6.0523E+00  5.1780E-01 -1.0668E+00
  1.0584E+01 -1.8453E+01  2.4313E+01
  1.7573E+03 -2.9725E+03 -2.1847E+02
CT            3337   12.011000    0.145000
  1.3194E+01  1.3637E+01 -7.1584E+00
 -3.0403E+00  3.1180E+00  7.9280E+00
  9.6265E+02 -9.5340E+02 -8.1283E+03
OH            3338    0.000000   -0.683000
  1.3895E+01  1.4841E+01 -7.3736E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3339    1.008000    0.418000
  1.4102E+01  1.4882E+01 -8.2946E+00
 -2.3992E+00 -2.7862E+01 -2.6502E+00
  1.2557E+03 -1.0263E+03  1.0078E+03
HC            3340    1.008000    0.040000
  1.3937E+01  1.2883E+01 -7.4166E+00
 -1.6680E+01 -1.2910E+01  1.3625E+01
 -9.3900E+02 -2.6186E+03  4.6108E+03
HC            3341    1.008000    0.040000
  1.2565E+01  1.3526E+01 -8.0418E+00
  4.5980E+00  9.7764E+00  1.4922E+00
 -2.8183E+03  5.6046E+02  1.6464E+03
HC            3342    1.008000    0.040000
  1.2711E+01  1.3551E+01 -6.1849E+00
  3.0146E+01 -1.4189E+01  2.4574E+01
  1.9698E+03 -2.0607E+03 -1.3191E+03
CT            3343   12.011000    0.145000
  9.5496E+00 -9.1920E+00 -1.6035E+01
 -2.3208E+00 -1.1830E+00 -2.3692E-01
 -7.4268E+02  1.3763E+03 -1.2798E+03
OH            3344    0.000000   -0.683000
  9.0476E+00 -8.4145E+00 -1.4971E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3345    1.008000    0.418000
  8.9614E+00 -7.4881E+00 -1.5137E+01
  3.6974E+00 -1.7492E+00 -1.2787E+01
  6.9144E+02 -5.9309E+02 -3.6145E+03
HC            3346    1.008000    0.040000
  8.7715E+00 -9.7533E+00 -1.6552E+01
  5.0674E+00 -6.4208E+00 -5.8882E+00
 -4.3265E+02  9.9118E+02 -2.2357E+02
HC            3347    1.008000    0.040000
  1.0221E+01 -9.9096E+00 -1.5563E+01
  3.0006E+00  4.5780E+00  1.0912E+00
  1.4157E+03  3.7199E+02 -1.9187E+03
HC            3348    1.008000    0.040000
  1.0024E+01 -8.5258E+00 -1.6756E+01
  1.7757E+00 -1.0383E+01 -6.2352E+00
  1.7751E+03 -1.1545E+03  3.2782E+01
CT            3349   12.011000    0.145000
 -4.9943E+00 -1.7941E+01 -1.5691E+01
 -6.1498E+00 -6.6025E+00 -1.4218E+00
  1.1605E+03 -3.4530E+03 -3.9653E+02
OH            3350    0.000000   -0.683000
 -4.6611E+00 -1.7944E+01 -1.7061E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3351    1.008000    0.418000
 -4.0076E+00 -1.7270E+01 -1.7169E+01
  1.8208E+00 -8.3189E-01  5.5073E+00
 -4.4718E+02  5.0050E+02  6.6341E+02
HC            3352    1.008000    0.040000
 -5.6217E+00 -1.8789E+01 -1.5417E+01
 -6.8083E+00 -2.2713E+00  1.1124E+01
 -1.6382E+03  1.0761E+03 -4.3561E+02
HC            3353    1.008000    0.040000
 -5.4835E+00 -1.7011E+01 -1.5401E+01
 -6.8220E+00 -9.1175E+00  5.7068E+00
  1.3066E+03 -5.0377E+01  1.1126E+03
HC            3354    1.008000    0.040000
 -4.0997E+00 -1.8155E+01 -1.5106E+01
 -1.3142E+01 -1.0865E+01  7.9790E+00
  2.1139E+02  2.9330E+03  6.1111E+02
CT            3355   12.011000    0.145000
  3.2529E+00  1.8626E+01  5.9657E+00
 -2.8129E-01 -1.3131E-02 -2.9889E-01
 -3.4646E+03 -3.4109E+02 -4.2522E+03
OH            3356    0.000000   -0.683000
  3.6257E+00  1.9924E+01  5.5583E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3357    1.008000    0.418000
  2.8482E+00  2.0330E+01  5.2070E+00
 -6.9555E+00 -1.7348E+00  1.2778E+01
  2.1024E+02  1.4100E+03  1.6167E+03
HC            3358    1.008000    0.040000
  3.1374E+00  1.7978E+01  5.0973E+00
  1.5295E+01  4.1546E+00 -5.8168E+00
  2.0438E+03  1.9113E+02 -6.6089E+02
HC            3359    1.008000    0.040000
  2.2322E+00  1.8710E+01  6.3390E+00
  7.1308E+00 -2.1924E+00  2.1939E+01
  1.6724E+03 -1.4657E+03  5.1437E+03
HC            3360    1.008000    0.040000
  3.9787E+00  1.8158E+01  6.6300E+00
 -1.0438E+01 -1.1934E+01  2.7670E+00
 -2.0791E+03  7.1817E+02  1.8085E+03
CT            3361   12.011000    0.145000
  1.8538E+01 -1.7519E+00 -1.6531E+01
  8.6045E-02 -1.8564E+00 -4.1609E-01
 -4.3186E+02  2.9701E+03  9.5353E+02
OH            3362    0.000000   -0.683000
  1.9398E+01 -1.9564E+00 -1.5432E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3363    1.008000    0.418000
  1.9967E+01 -2.6191E+00 -1.5792E+01
  2.7968E+00  1.5576E-01  4.0668E+00
  1.6162E+03 -3.6184E+02  3.1667E+03
HC            3364    1.008000    0.040000
  1.8986E+01 -1.3433E+00 -1.7437E+01
 -1.8223E+01  1.2951E+01 -3.4192E+00
  8.0780E+02  4.6013E+02  1.2954E+03
HC            3365    1.008000    0.040000
  1.7844E+01 -9.9679E-01 -1.6163E+01
 -1.7357E+01 -7.9265E+00 -1.8996E+01
 -2.5780E+03 -1.2500E+03 -2.4987E+03
HC            3366    1.008000    0.040000
  1.8035E+01 -2.6698E+00 -1.6834E+01
 -1.5251E+01  6.4449E+00 -1.0753E+00
 -1.5699E+03  1.0352E+03  8.9538E+02
CT            3367   12.011000    0.145000
  1.8163E+01  1.3466E+01  1.6017E+00
  3.4434E-01 -2.6547E+00  6.5672E-01
 -1.4595E+03 -2.7716E+03  3.0777E+03
OH            3368    0.000000   -0.683000
  1.7061E+01  1.3125E+01  7.9126E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3369    1.008000    0.418000
  1.7287E+01  1.2282E+01  4.2912E-01
 -1.7900E+01  8.1415E+00 -3.4498E+01
 -3.2535E+03  3.1934E+02  1.6341E+03
HC            3370    1.008000    0.040000
  1.9100E+01  1.2951E+01  1.3857E+00
 -4.9495E+00 -1.4115E+01  4.2025E+00
 -5.1327E+02  6.7766E+02 -2.3980E+03
HC            3371    1.008000    0.040000
  1.7918E+01  1.2981E+01  2.5469E+00
  1.8152E+01  1.3325E+01  1.4268E+01
  1.4913E+03  2.2402E+03  1.4736E+03
HC            3372    1.008000    0.040000
  1.8362E+01  1.4525E+01  1.7611E+00
  1.4275E+01 -3.5973E+00 -8.7025E+00
 -1.2706E+03 -2.9568E+02 -2.5370E+01
CT            3373   12.011000    0.145000
  1.9439E+01  2.8959E+00 -1.0665E+01
  1.3505E+00 -5.3638E+00 -2.3142E+00
  6.9014E+02 -2.5005E+02 -3.0996E+02
OH            3374    0.000000   -0.683000
  2.0429E+01  2.7253E+00 -9.6764E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3375    1.008000    0.418000
  2.0052E+01  3.1335E+00 -8.9119E+00
 -9.4683E+00 -1.5329E+01  3.9634E+00
  6.9695E+02  1.2376E+03 -9.2612E+02
HC            3376    1.008000    0.040000
  1.8478E+01  2.5319E+00 -1.0302E+01
 -2.0843E-01  1.0550E+01  1.0659E+01
  6.9533E+02 -6.6395E+02 -3.3236E+02
HC            3377    1.008000    0.040000
  1.9741E+01  2.4365E+00 -1.1607E+01
  7.6034E+00 -3.1003E+00 -1.4605E+00
 -8.6384E+01 -9.6195E+02  4.4866E+02
HC            3378    1.008000    0.040000
  1.9214E+01  3.9304E+00 -1.0925E+01
 -1.5390E+01 -1.0407E+01 -9.2795E+00
  9.2342E+02  3.4961E+01  1.1977E+03
CT            3379   12.011000    0.145000
 -4.2213E-01  1.4065E+01  1.4056E+01
  8.0537E-01 -2.0591E-02 -4.2398E+00
  1.3450E+03 -2.5460E+02 -2.7476E+03
OH            3380    0.000000   -0.683000
 -6.0513E-01  1.2668E+01  1.4033E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3381    1.008000    0.418000
  2.1362E-01  1.2225E+01  1.4197E+01
  2.4938E+00  7.1036E+00  7.4028E+00
 -1.1509E+02  1.6701E+02  4.3932E+02
HC            3382    1.008000    0.040000
 -2.2665E-01  1.4332E+01  1.5095E+01
  1.9622E+01 -9.1478E+00 -5.0196E+00
 -9.1885E+02  2.0451E+03 -1.1474E+03
HC            3383    1.008000    0.040000
 -1.3117E+00  1.4441E+01  1.3550E+01
  6.3670E+00  8.9545E+00 -7.6055E+00
 -2.7030E+02  2.6536E+03  2.6364E+03
HC            3384    1.008000    0.040000
  4.4808E-01  1.4304E+01  1.3445E+01
  1.8459E+01 -1.9518E+01  1.1718E+01
  1.1755E+02  3.0075E+02  1.3467E+03
CT            3385   12.011000    0.145000
  1.0381E+01 -1.3505E+01 -8.9503E+00
  3.8388E+00  5.5234E-01  5.9074E+00
 -4.4319E+03  5.9386E+02  3.1928E+03
OH            3386    0.000000   -0.683000
  1.0222E+01 -1.4888E+01 -8.7265E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3387    1.008000    0.418000
  9.3159E+00 -1.5153E+01 -8.7639E+00
  4.1998E+00 -1.4990E+01 -1.9385E+00
 -5.4448E+02  3.3202E+03  4.2467E+03
HC            3388    1.008000    0.040000
  9.5024E+00 -1.3199E+01 -9.5188E+00
  2.0195E+01  8.5607E+00 -1.6512E+01
  2.1105E+03  1.6575E+03 -1.8917E+03
HC            3389    1.008000    0.040000
  1.1281E+01 -1.3082E+01 -9.3962E+00
 -1.0791E+01  1.4801E+01 -1.1736E+01
 -1.0101E+03 -2.3334E+03 -1.6802E+03
HC            3390    1.008000    0.040000
  1.0280E+01 -1.2988E+01 -7.9957E+00
 -9.6523E+00 -5.1426E+00  7.8005E+00
 -5.5281E+02 -4.0710E+02  2.8673E+02
CT            3391   12.011000    0.145000
 -1.2653E+01 -1.7491E+01 -1.8970E+01
 -1.2657E+00 -1.9386E+00  4.0030E+00
 -7.6881E+02 -2.9602E+03 -3.7121E+03
OH            3392    0.000000   -0.683000
 -1.3966E+01 -1.7013E+01 -1.9159E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3393    1.008000    0.418000
 -1.4520E+01 -1.7719E+01 -1.8863E+01
  6.2268E+00 -1.5683E+01 -2.3035E+01
  1.9245E+02  1.7395E+03  1.0341E+03
HC            3394    1.008000    0.040000
 -1.1989E+01 -1.6782E+01 -1.9463E+01
 -1.2030E+01  5.1258E+00 -7.2805E-01
  1.3848E+03  4.7821E+02  3.3702E+03
HC            3395    1.008000    0.040000
 -1.2560E+01 -1.8389E+01 -1.9582E+01
 -1.2934E+01  1.7813E+00 -3.5619E+00
 -1.5186E+02 -4.5868E+02  3.5796E+02
HC            3396    1.008000    0.040000
 -1.2451E+01 -1.7788E+01 -1.7941E+01
  8.9136E+00  1.3733E+01  6.8625E+00
  1.6378E+03  2.5554E+03  3.2265E+01
CT            3397   12.011000    0.145000
  8.8552E+00 -8.5002E+00 -1.9802E+01
  7.5016E-01  7.9046E+00  2.0127E-01
  1.1134E+03  4.0389E+03  1.1364E+03
OH            3398    0.000000   -0.683000
  1.0221E+01 -8.6295E+00 -2.0127E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3399    1.008000    0.418000
  1.0516E+01 -9.2496E+00 -1.9478E+01
  3.3971E-01 -4.7976E-01 -6.1037E-01
  2.3579E+03 -6.9710E+02 -1.7513E+03
HC            3400    1.008000    0.040000
  8.6423E+00 -8.2240E+00 -1.8769E+01
  3.3068E+00 -4.1774E+00  4.1231E+00
  1.4449E+03 -1.3216E+03  7.4573E+02
HC            3401    1.008000    0.040000
  8.3447E+00 -9.4451E+00 -1.9988E+01
 -8.6152E+00  1.2929E+01 -2.2960E-01
 -1.9202E+03  1.8569E+03 -1.9514E+03
HC            3402    1.008000    0.040000
  8.5892E+00 -7.6033E+00 -2.0361E+01
  3.9573E+00  8.8525E-01 -1.2996E+01
 -4.4025E+03 -2.8986E+03 -2.7242E+03
CT            3403   12.011000    0.145000
  1.3636E+01  8.9500E+00  7.3208E-03
 -4.6788E+00 -7.2428E+00 -9.8527E+00
  1.8441E+03 -3.4379E+03  1.8449E+03
OH            3404    0.000000   -0.683000
  1.2730E+01  8.3423E+00  9.0134E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3405    1.008000    0.418000
  1.2958E+01  8.6804E+00  1.7538E+00
  6.1464E+00  4.0418E+00 -3.1709E+00
 -3.1922E+03 -2.6898E+03  1.6309E+03
HC            3406    1.008000    0.040000
  1.4456E+01  9.4339E+00  5.3683E-01
 -1.7853E+01  2.6258E+00  2.3376E+00
 -2.9721E+03  2.8795E+03  1.9319E+03
HC            3407    1.008000    0.040000
  1.3225E+01  9.5934E+00 -7.7076E-01
 -2.8778E+00 -5.0716E-01 -5.3221E+00
 -1.0452E+03  6.4330E+02  1.6046E+03
HC            3408    1.008000    0.040000
  1.4315E+01  8.2773E+00 -5.1620E-01
 -9.4654E+00 -1.2962E+01 -8.8237E+00
 -3.3267E+03 -3.2556E+03 -6.1059E+02
CT            3409   12.011000    0.145000
  3.4126E+00 -2.7237E+00 -1.3304E+01
 -4.3615E-02 -1.1875E+00 -2.0067E+00
 -2.4446E+03 -1.6770E+03 -3.8183E+03
OH            3410    0.000000   -0.683000
  3.6886E+00 -1.5352E+00 -1.4011E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3411    1.008000    0.418000
  2.8371E+00 -1.1883E+00 -1.4229E+01
  2.8078E+00  1.9989E+00 -8.1301E+00
 -4.2284E+02 -7.4421E+02  1.0469E+03
HC            3412    1.008000    0.040000
  2.5249E+00 -2.5331E+00 -1.2701E+01
  1.4829E+01  1.2608E+01  1.6794E+01
  3.2408E+03 -2.9943E+02  4.3172E+03
HC            3413    1.008000    0.040000
  4.2721E+00 -3.1238E+00 -1.2766E+01
 -1.6248E+01  1.7993E+01  4.3117E+01
 -3.2778E+03  8.3780E+02  1.3398E+03
HC            3414    1.008000    0.040000
  2.9864E+00 -3.4078E+00 -1.4038E+01
 -4.4053E+00  7.0672E+00 -7.3271E+00
  2.2332E+03 -1.2106E+03 -4.5922E+02
CT            3415   12.011000    0.145000
  1.9814E+01 -1.3804E+01 -1.4278E+01
 -4.7256E+00  2.4241E+00 -4.6791E-01
 -3.9649E+03  3.5652E+03 -6.9681E+02
OH            3416    0.000000   -0.683000
  1.9911E+01 -1.3369E+01 -1.2940E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3417    1.008000    0.418000
 -2.0100E+01 -1.3062E+01 -1.2847E+01
 -3.3794E+00  7.3932E+00  9.5705E+00
 -7.3844E+02  1.9349E+03 -7.2552E+02
HC            3418    1.008000    0.040000
  1.9609E+01 -1.2874E+01 -1.4807E+01
  1.2908E+01 -3.4513E+00 -1.8940E+01
  3.7210E+03 -6.3010E+02 -2.8343E+03
HC            3419    1.008000    0.040000
  1.8949E+01 -1.4365E+01 -1.4631E+01
  1.2874E+00  5.0306E-01 -1.2676E+01
  3.8583E+02 -2.0692E+03  2.8625E+03
HC            3420    1.008000    0.040000
 -2.0171E+01 -1.4278E+01 -1.4635E+01
 -8.8908E+00  6.7980E+00 -1.7901E+01
 -7.4730E+02  8.8353E+02 -1.1956E+03
CT            3421   12.011000    0.145000
 -4.1040E+00  8.6698E+00 -1.1854E+01
  3.5021E+00 -1.6647E+00  1.6969E+00
  1.1816E+02  1.3333E+02 -1.4836E+03
OH            3422    0.000000   -0.683000
 -3.5072E+00  9.9472E+00 -1.1843E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3423    1.008000    0.418000
 -2.6387E+00  9.7483E+00 -1.1528E+01
 -2.7166E+00 -1.1683E+01  5.7375E-01
  4.4313E+02  2.4051E+03 -5.8003E+02
HC            3424    1.008000    0.040000
 -4.0574E+00  8.0877E+00 -1.0934E+01
 -6.1508E+00  2.7441E+00  5.1093E+00
  3.9253E+02  2.2719E+03  1.1815E+03
HC            3425    1.008000    0.040000
 -3.5834E+00  8.0709E+00 -1.2601E+01
  7.1897E+00  1.5841E+00  1.6299E+00
 -8.8373E+02  1.0338E+02 -7.6939E+02
HC            3426    1.008000    0.040000
 -5.1552E+00  8.7741E+00 -1.2123E+01
  4.6874E+00 -1.6966E+00 -3.0369E+00
  1.4910E+02 -5.6069E+02 -8.4838E+02
CT            3427   12.011000    0.145000
 -2.5485E+00 -1.7247E+01  1.6418E+01
 -6.7772E-01  1.7913E+00  2.7835E+00
 -1.7995E+01 -2.7998E+03  5.2996E+03
OH            3428    0.000000   -0.683000
 -3.9185E+00 -1.7548E+01  1.6274E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3429    1.008000    0.418000
 -4.3885E+00 -1.7052E+01  1.6927E+01
 -8.8918E+00 -2.2896E+01  1.2116E+01
 -4.3839E+02 -3.0777E+03  1.3847E+03
HC            3430    1.008000    0.040000
 -2.2385E+00 -1.8026E+01  1.7114E+01
 -1.8734E+00  1.5003E+01  1.8722E+01
  1.5459E+03  1.8109E+03  1.6558E+03
HC            3431    1.008000    0.040000
 -2.6372E+00 -1.6307E+01  1.6963E+01
 -4.0810E+00 -9.4815E+00  2.2643E+01
  4.5629E+03  2.7061E+02 -1.1424E+03
HC            3432    1.008000    0.040000
 -1.8860E+00 -1.7331E+01  1.5556E+01
 -2.8468E+00  1.8786E+00  1.0979E+00
 -1.3520E+03  1.7593E+03 -7.8817E+02
CT            3433   12.011000    0.145000
 -8.0328E+00 -8.0522E-01 -2.8785E+00
  1.4927E+00  2.4916E+00  1.4902E+00
  1.2294E+03  6.4319E+03  4.8427E+02
OH            3434    0.000000   -0.683000
 -6.9391E+00 -9.3858E-01 -3.7583E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3435    1.008000    0.418000
 -6.7688E+00 -1.8603E+00 -3.8785E+00
 -9.1305E+00 -2.3521E+00  4.2123E+00
 -2.0801E+03 -2.0579E+02 -9.1099E+02
HC            3436    1.008000    0.040000
 -8.9723E+00 -1.1015E+00 -3.3451E+00
  7.0883E-01 -4.8688E+00  7.5452E+00
 -1.9311E+02 -1.0096E+03  1.6564E+03
HC            3437    1.008000    0.040000
 -8.0716E+00  2.7052E-01 -2.7071E+00
  1.1375E+01  9.2741E+00 -3.1616E+01
 -1.3944E+03  6.3885E+00 -2.6816E+03
HC            3438    1.008000    0.040000
 -7.8554E+00 -1.1195E+00 -1.8500E+00
  2.1442E+01 -5.6362E+00 -3.9551E+00
 -1.7326E+02 -4.2059E+03 -1.7289E+03
CT            3439   12.011000    0.145000
 -3.6054E+00 -2.0346E+01  6.7375E+00
 -3.5161E+00  1.5699E+00 -2.5435E+00
  3.8483E+02  2.7962E+03  1.0125E+03
OH            3440    0.000000   -0.683000
 -2.7033E+00 -2.0006E+01  5.7085E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3441    1.008000    0.418000
 -3.1724E+00 -2.0202E+01  4.9119E+00
 -8.4980E+00 -2.1364E+01  9.4826E+00
 -2.1414E+03  5.8320E+02  1.8054E+03
HC            3442    1.008000    0.040000
 -3.1333E+00 -2.0261E+01  7.7163E+00
  1.2082E+01  2.7769E+01 -1.1302E+01
  8.0382E+02  6.4837E+02 -1.2238E+03
HC            3443    1.008000    0.040000
 -4.0787E+00  1.9576E+01  6.6468E+00
  3.6702E+00 -1.0066E+00 -1.4487E+01
  3.8599E+02  3.5907E+02 -1.9417E+03
HC            3444    1.008000    0.040000
 -4.3471E+00 -1.9548E+01  6.7074E+00
 -2.8051E+00  2.3643E+00  6.1993E-01
 -1.4312E+03 -1.1245E+03  7.6938E+02
CT            3445   12.011000    0.145000
  1.7430E+01  1.2808E+01 -1.4165E+01
 -2.7358E+00 -1.4213E+00  4.4114E-01
  3.6930E+03 -6.5829E+00 -6.5174E+02
OH            3446    0.000000   -0.683000
  1.7227E+01  1.2772E+01 -1.5560E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3447    1.008000    0.418000
  1.7228E+01  1.3671E+01 -1.5853E+01
  1.5059E+00 -1.4191E+00 -4.4351E+00
  1.1799E+03  4.3562E+02  1.5263E+03
HC            3448    1.008000    0.040000
  1.7176E+01  1.3799E+01 -1.3789E+01
  1.3121E+00  5.6673E-01 -1.9948E+00
 -5.3243E+02 -9.4880E+02  1.6803E+03
HC            3449    1.008000    0.040000
  1.8497E+01  1.2623E+01 -1.4037E+01
 -4.1510E+00 -1.3378E+00  1.3724E+01
  2.8247E+02  1.6522E+03  1.8495E+03
HC            3450    1.008000    0.040000
  1.6960E+01  1.1956E+01 -1.3674E+01
  9.1395E-01 -8.0635E+00 -7.3601E+00
 -1.1306E+03  2.0623E+03  1.6089E+03
CT            3451   12.011000    0.145000
  2.7130E+00  1.4488E+01 -1.9016E+01
  3.7810E+00 -7.0944E+00  4.4649E+00
 -2.4635E+03  1.4486E+03 -6.8747E+02
OH            3452    0.000000   -0.683000
  1.9629E+00  1.3598E+01 -1.9812E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3453    1.008000    0.418000
  1.9814E+00  1.3977E+01  2.0222E+01
 -6.2069E+00  1.0064E+01  4.0905E+00
 -1.1881E+03  2.0056E+03  9.0431E+02
HC            3454    1.008000    0.040000
  3.7418E+00  1.4538E+01 -1.9372E+01
  3.5617E+00 -1.2991E+01  2.8877E+00
 -4.7392E+01  1.9072E+00  4.9467E+02
HC            3455    1.008000    0.040000
  2.7045E+00  1.4382E+01 -1.7931E+01
  7.7643E+00  1.2150E+00  5.3862E+00
  3.3678E+01 -3.1065E+03 -5.6735E+02
HC            3456    1.008000    0.040000
  2.2701E+00  1.5478E+01 -1.9118E+01
  4.8362E+00 -7.3363E+00 -2.9541E+00
  2.4943E+02  1.5683E+02 -1.5278E+03
CT            3457   12.011000    0.145000
  7.6661E+00 -5.0408E+00 -1.5946E+01
  9.2741E-01  2.3136E-01 -2.1385E+00
  5.0370E+02  3.0549E+02 -8.2270E+02
OH            3458    0.000000   -0.683000
  8.8770E+00 -5.5908E+00 -1.5477E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3459    1.008000    0.418000
  9.5112E+00 -5.4883E+00 -1.6171E+01
 -2.9252E+00 -6.5860E+00 -3.7458E+00
 -7.6226E+02  1.4338E+03 -3.4790E+02
HC            3460    1.008000    0.040000
  6.8449E+00 -5.2810E+00 -1.5270E+01
  1.0601E+01 -2.8574E+00  8.8570E+00
  4.9477E+02 -2.9374E+02  7.3313E+01
HC            3461    1.008000    0.040000
  7.4078E+00 -5.4227E+00 -1.6933E+01
 -7.9056E+00 -1.5381E+01  5.8168E+00
  2.5400E+02 -9.2564E+02  5.6596E+02
HC            3462    1.008000    0.040000
  7.7331E+00 -3.9587E+00 -1.6058E+01
  1.9926E+01 -2.1348E+00 -1.9534E+01
  2.1293E+03 -5.6895E+02  3.0939E+02
CT            3463   12.011000    0.145000
 -1.3651E+00 -1.6520E+01  1.2405E+01
  1.9447E+00 -2.4084E+00 -3.2043E+00
  3.0003E+03  2.5580E+03 -6.6714E+02
OH            3464    0.000000   -0.683000
 -2.1044E+00 -1.5816E+01  1.1433E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3465    1.008000    0.418000
 -1.8867E+00 -1.4905E+01  1.1559E+01
  4.2186E+00  6.1727E-03 -6.7946E+00
  2.4479E+03 -5.3118E+02 -5.5389E+02
HC            3466    1.008000    0.040000
 -4.3656E-01 -1.5992E+01  1.2621E+01
 -7.1227E+00  1.4338E+01 -3.5138E+00
 -2.1492E+02  1.4849E+03 -2.4323E+03
HC            3467    1.008000    0.040000
 -1.0579E+00 -1.7539E+01  1.2167E+01
 -2.0326E+01 -1.0397E+01 -1.6305E-01
 -2.4794E+03  2.0839E+02 -1.9750E+03
HC            3468    1.008000    0.040000
 -1.6842E+00 -1.6582E+01  1.3445E+01
  2.1649E+01 -6.8094E+00  3.0064E+00
 -3.4226E+03  1.1873E+03 -1.9312E+03
CT            3469   12.011000    0.145000
 -7.0272E+00 -7.6758E+00  7.9328E+00
 -4.0138E+00  1.9607E-02 -2.1395E+00
  5.3070E+03 -3.1151E+03  3.6958E+03
OH            3470    0.000000   -0.683000
 -7.6764E+00 -7.4428E+00  9.1626E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3471    1.008000    0.418000
 -8.1665E+00 -8.2201E+00  9.3835E+00
  3.0151E+00 -6.7049E-01  4.4653E+00
  7.7985E+02 -5.8088E+02 -4.4390E+02
HC            3472    1.008000    0.040000
 -6.2270E+00 -6.9472E+00  7.8028E+00
 -1.1178E+01  6.7199E+00 -9.8907E+00
 -1.4150E+03  1.4220E+03 -1.5460E+03
HC            3473    1.008000    0.040000
 -7.5124E+00 -7.9119E+00  6.9857E+00
  5.8831E+00 -1.2440E+01 -4.3764E+00
 -2.5655E+03  2.1937E+03  1.8211E+03
HC            3474    1.008000    0.040000
 -6.4655E+00 -8.5967E+00  8.0891E+00
 -9.0954E+00 -3.0935E+00 -1.9919E+00
 -2.9810E+02 -7.1482E+02  2.0410E+02
CT            3475   12.011000    0.145000
 -1.0567E+01  1.5384E+00 -1.4578E+01
  1.7595E+00  3.8062E+00  3.6084E-01
 -7.0294E+02 -5.4817E+02 -2.1176E+03
OH            3476    0.000000   -0.683000
 -1.1846E+01  2.1088E+00 -1.4410E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3477    1.008000    0.418000
 -1.2326E+01  1.4098E+00 -1.4826E+01
 -2.9785E+01 -2.0569E+00  3.3066E+01
 -4.8534E+03  3.1209E+03  3.0694E+03
HC            3478    1.008000    0.040000
 -9.7398E+00  1.9629E+00 -1.4010E+01
 -1.4457E+00 -2.1452E+00  9.7044E+00
 -1.8122E+03  2.5520E+03  1.1332E+02
HC            3479    1.008000    0.040000
 -1.0219E+01  1.5001E+00 -1.5610E+01
  1.5307E+01 -2.3174E+01  5.0322E+00
 -1.0461E+03  6.3263E+02  4.8947E+02
HC            3480    1.008000    0.040000
 -1.0650E+01  4.7402E-01 -1.4358E+01
 -1.0465E+01  3.7024E+00 -3.9733E+00
  3.6026E+02  4.3662E+02  1.3093E+03
CT            3481   12.011000    0.145000
 -4.9911E+00 -1.6818E+01 -7.8036E+00
  1.1455E+00  1.7130E+00  4.4616E+00
 -9.0608E+02  4.0362E+03 -4.5545E+03
OH            3482    0.000000   -0.683000
 -3.6263E+00 -1.6823E+01 -8.1574E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3483    1.008000    0.418000
 -3.0728E+00 -1.6756E+01 -7.3943E+00
 -1.8369E+01 -1.5360E+01  1.5735E+01
 -2.5906E+03 -4.8273E+02  1.2026E+03
HC            3484    1.008000    0.040000
 -5.2594E+00 -1.5787E+01 -7.5715E+00
 -6.3828E+00 -2.2058E-01  4.6069E+00
 -7.2327E+02 -4.8183E+02  2.2991E+03
HC            3485    1.008000    0.040000
 -5.4273E+00 -1.7549E+01 -7.1234E+00
  2.7763E-01 -8.0193E+00 -6.2545E+00
  2.1764E+03 -2.3600E+02  1.0675E+02
HC            3486    1.008000    0.040000
 -5.4355E+00 -1.6938E+01 -8.7916E+00
  2.9616E-01  9.8485E+00  3.7848E+00
 -2.1606E+03 -1.3608E+03  9.0112E+02
CT            3487   12.011000    0.145000
  6.8096E+00  1.4314E+01 -4.1370E+00
  1.3866E+00 -5.9665E+00 -3.2992E+00
 -3.2045E+02  2.9333E+03  8.6876E+02
OH            3488    0.000000   -0.683000
  8.1325E+00  1.4750E+01 -4.3554E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3489    1.008000    0.418000
  8.5894E+00  1.3983E+01 -4.6641E+00
  1.3436E+01 -1.0938E+01  4.0727E+01
  1.3541E+03  1.6662E+03  2.8394E+03
HC            3490    1.008000    0.040000
  6.3911E+00  1.3638E+01 -4.8830E+00
 -1.1482E+00 -5.5460E+00 -2.2681E+00
  1.1202E+03 -1.7804E+02 -1.5421E+02
HC            3491    1.008000    0.040000
  6.2382E+00  1.5239E+01 -4.2083E+00
 -2.0963E+00 -7.0654E+00  8.2852E+00
 -7.3274E+02 -2.4385E+02  8.3095E+02
HC            3492    1.008000    0.040000
  6.6554E+00  1.3912E+01 -3.1355E+00
 -1.1611E+01 -3.5215E+00 -4.1454E+00
 -1.4239E+02 -4.2148E+02 -3.8960E+02
CT            3493   12.011000    0.145000
  6.8830E+00  1.5454E+01  1.2139E+01
  1.2999E+00 -5.4065E-01 -1.1352E+00
  1.4411E+03  3.7813E+03 -8.5555E+02
OH            3494    0.000000   -0.683000
  7.7858E+00  1.5365E+01  1.3218E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3495    1.008000    0.418000
  7.5056E+00  1.6105E+01  1.3734E+01
 -1.8822E+01 -8.3240E+00  2.5560E+00
 -1.6558E+03 -3.1366E+03  3.1794E+03
HC            3496    1.008000    0.040000
  6.7979E+00  1.6465E+01  1.1739E+01
 -9.3676E+00  3.2065E+00  9.9676E+00
  1.6988E+03  9.1694E+02  1.7165E+03
HC            3497    1.008000    0.040000
  5.8499E+00  1.5320E+01  1.2460E+01
 -3.9958E-01 -4.8804E+00 -8.2083E+00
  2.9807E+02 -3.0597E+03 -9.6220E+02
HC            3498    1.008000    0.040000
  7.1805E+00  1.4944E+01  1.1223E+01
 -8.8484E+00  1.1624E+01 -1.1596E+01
 -1.7249E+03 -2.9186E+03  1.7363E+03
CT            3499   12.011000    0.145000
 -1.3940E+01  1.4578E+01  1.5723E+01
  6.5998E-01 -3.8874E-01  3.9513E-01
 -9.7445E+02  5.8066E+02 -4.7288E+02
OH            3500    0.000000   -0.683000
 -1.3243E+01  1.5803E+01  1.5762E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3501    1.008000    0.418000
 -1.2332E+01  1.5599E+01  1.5618E+01
  3.5903E+00 -1.5194E+01  3.4283E+01
 -2.3441E+03 -2.2295E+03 -1.1698E+03
HC            3502    1.008000    0.040000
 -1.4422E+01  1.4408E+01  1.4760E+01
  1.8779E+01 -2.7255E+01 -5.0525E+00
  3.4642E+03  7.0888E+02 -9.8826E+02
HC            3503    1.008000    0.040000
 -1.4795E+01  1.4555E+01  1.6398E+01
  1.1134E+01  4.5427E+00  1.4312E+01
  2.0423E+03  3.6586E+02  2.4893E+03
HC            3504    1.008000    0.040000
 -1.3146E+01  1.3869E+01  1.5959E+01
 -3.5677E+00 -6.8062E+00 -4.3202E+00
 -3.0279E+03 -3.4603E+03 -5.6113E+02
CT            3505   12.011000    0.145000
  9.8060E+00  1.2033E+01 -6.5963E+00
 -3.6986E+00 -9.6050E+00  3.3963E+00
  2.3320E+03  7.4266E+02  1.1575E+03
OH            3506    0.000000   -0.683000
  9.6199E+00  1.2573E+01 -5.3071E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3507    1.008000    0.418000
  1.0014E+01  1.1856E+01 -4.8334E+00
  6.9407E+00  8.2138E-01 -4.3811E+00
 -1.1745E+03  2.8999E+03  4.8524E+03
HC            3508    1.008000    0.040000
  9.5808E+00  1.0991E+01 -6.8216E+00
 -1.0600E+01 -7.2298E+00 -1.0183E+00
 -5.3356E+03  7.6541E+02  2.5039E+03
HC            3509    1.008000    0.040000
  1.0870E+01  1.1924E+01 -6.8084E+00
  6.3035E-01  2.3375E+01  2.9540E+00
  1.5346E+02  4.5185E+03  2.7507E+02
HC            3510    1.008000    0.040000
  9.3711E+00  1.2725E+01 -7.3171E+00
  1.8651E+01  7.1099E-01 -1.0492E+00
  1.2445E+03 -3.0133E+02 -1.2127E+02
CT            3511   12.011000    0.145000
 -1.2548E+01 -1.1855E+01  1.4232E+01
  1.6150E+00 -2.5572E+00  3.5473E+00
  1.4612E+03 -1.4332E+03  2.8330E+03
OH            3512    0.000000   -0.683000
 -1.1268E+01 -1.1860E+01  1.3639E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3513    1.008000    0.418000
 -1.0841E+01 -1.2697E+01  1.3740E+01
 -3.3675E+00  2.8511E-01  2.1281E+01
 -2.2101E+03 -5.1945E+02  2.8489E+03
HC            3514    1.008000    0.040000
 -1.2371E+01 -1.2122E+01  1.5274E+01
  2.7737E+01 -1.0168E+01 -2.0794E+00
 -7.0159E+02 -4.7201E+02 -5.1847E+02
HC            3515    1.008000    0.040000
 -1.3171E+01 -1.2608E+01  1.3750E+01
 -1.3429E-01  1.1955E+01 -1.8296E+01
 -6.1832E+02  1.6830E+03 -5.2596E+02
HC            3516    1.008000    0.040000
 -1.3030E+01 -1.0882E+01  1.4133E+01
 -2.6290E+01 -1.7710E+01 -3.2822E+01
 -5.3738E+02 -2.5832E+03 -1.1969E+03
CT            3517   12.011000    0.145000
 -9.0892E-01 -3.3215E+00 -1.9981E+01
 -3.7976E+00  2.9028E+00 -4.0936E+00
  3.3585E+03 -2.2832E+03  4.0529E+03
OH            3518    0.000000   -0.683000
 -5.3630E-01 -2.0765E+00 -1.9434E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3519    1.008000    0.418000
 -7.6755E-01 -1.4280E+00 -2.0082E+01
  2.0422E+01  4.6837E+00 -3.2988E+00
 -1.2725E+03  2.9704E+02  1.6516E+03
HC            3520    1.008000    0.040000
 -1.9842E+00 -3.4407E+00 -1.9848E+01
  1.3739E-01 -2.3406E+01  1.1200E+01
  9.9702E+02 -2.6533E+03 -2.9591E+03
HC            3521    1.008000    0.040000
 -3.6167E-01 -3.9677E+00 -1.9295E+01
 -3.4973E-01  1.5768E+01  5.6681E+00
 -3.0673E+03 -2.0900E+03  5.8400E+02
HC            3522    1.008000    0.040000
 -4.0167E-01 -3.5457E+00  1.9980E+01
 -3.2476E+00  1.3878E+00 -3.4377E+00
 -3.9540E+03  1.0166E+03 -2.1561E+03
CT            3523   12.011000    0.145000
  2.8660E+00 -1.0683E+01 -1.4819E+01
  3.3388E-01  3.9290E-01 -2.9418E+00
 -3.6766E+02 -1.4693E+02  1.3646E+03
OH            3524    0.000000   -0.683000
  2.5284E+00 -9.3215E+00 -1.4673E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3525    1.008000    0.418000
  1.8057E+00 -9.1430E+00 -1.4090E+01
  8.5132E+00  2.7443E+01  3.5962E+00
  4.7266E+02 -2.8667E+03 -5.4181E+02
HC            3526    1.008000    0.040000
  3.6104E+00 -1.0746E+01 -1.5613E+01
  6.6808E-01  2.6263E+00 -2.8139E+00
  3.0623E+02 -1.4665E+03  5.7542E+02
HC            3527    1.008000    0.040000
  2.0540E+00 -1.1366E+01 -1.5069E+01
 -3.8409E-01  5.6997E-01 -1.1060E+00
 -1.2231E+03  1.8060E+03 -9.1084E+02
HC            3528    1.008000    0.040000
  3.2729E+00 -1.1097E+01 -1.3897E+01
 -4.3119E+00  1.1433E+01  4.2793E+00
  6.5657E+02  1.3210E+03  2.4563E+02
CT            3529   12.011000    0.145000
 -1.9477E+01  2.2580E+00  1.2372E+01
  7.2339E-01 -1.6893E+00 -1.4075E+00
 -2.4926E+03  2.8836E+03  3.1930E+03
OH            3530    0.000000   -0.683000
 -1.8872E+01  1.6079E+00  1.3467E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3531    1.008000    0.418000
 -1.8005E+01  1.9766E+00  1.3545E+01
  4.3847E+00 -9.2821E+00 -3.3467E+00
 -6.1502E+02  7.3590E+02  1.1161E+03
HC            3532    1.008000    0.040000
 -1.8874E+01  2.0853E+00  1.1481E+01
  1.8536E+00  8.5313E+00 -2.7433E+00
 -3.1193E+03 -3.9698E+02 -1.3971E+03
HC            3533    1.008000    0.040000
 -1.9603E+01  3.3326E+00  1.2504E+01
 -6.6280E+00 -2.6853E-01 -1.7594E+01
  1.7909E+03  3.0353E+02 -7.6455E+02
HC            3534    1.008000    0.040000
  2.0390E+01  1.9213E+00  1.2460E+01
 -2.4795E+00  4.0488E+00 -1.4574E+01
 -1.2239E+02 -1.4047E+03 -5.3424E+03
CT            3535   12.011000    0.145000
 -2.6525E+00  1.4800E+01  1.0172E+01
 -3.3243E+00 -1.1815E+00 -1.8755E+00
  1.3488E+03  3.6597E+02 -2.0631E+02
OH            3536    0.000000   -0.683000
 -2.9153E+00  1.6135E+01  9.8049E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3537    1.008000    0.418000
 -3.7623E+00  1.6273E+01  9.4093E+00
  6.5864E+00 -2.1588E+01 -2.4428E+01
 -7.4907E+02 -5.3022E+03  2.1661E+03
HC            3538    1.008000    0.040000
 -1.5989E+00  1.4869E+01  1.0443E+01
  6.8444E+00  7.0280E+00 -3.8088E+01
 -1.3188E+03 -2.1459E+03  3.7502E+01
HC            3539    1.008000    0.040000
 -2.7022E+00  1.4119E+01  9.3225E+00
  8.6963E-01  7.9467E+00 -9.6248E+00
 -4.9168E+02  3.3626E+02 -3.6734E+01
HC            3540    1.008000    0.040000
 -3.2779E+00  1.4446E+01  1.0992E+01
 -8.6228E+00  3.2203E+00 -3.9553E+00
  2.1574E+01  6.0245E+02  1.0842E+02
CT            3541   12.011000    0.145000
 -9.3702E+00  1.5358E+01 -9.6425E+00
 -4.0375E+00  4.9370E+00 -1.2646E-02
 -2.9500E+03  4.6587E+03 -1.4223E+03
OH            3542    0.000000   -0.683000
 -8.3126E+00  1.6215E+01 -9.2761E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3543    1.008000    0.418000
 -8.5140E+00  1.7071E+01 -9.6234E+00
 -8.3871E+00  1.3909E+00  7.9021E+00
 -3.7833E+00 -2.4184E+02 -1.8239E+02
HC            3544    1.008000    0.040000
 -9.3396E+00  1.4298E+01 -9.3891E+00
 -1.4146E+01  9.8431E-01 -1.4077E+01
  3.0706E+03  6.7219E+02 -1.0354E+03
HC            3545    1.008000    0.040000
 -9.3807E+00  1.5573E+01 -1.0711E+01
  1.5918E+01  2.1600E+01  2.5059E+00
 -1.0155E+03 -2.7004E+03  1.7599E+02
HC            3546    1.008000    0.040000
 -1.0311E+01  1.5749E+01 -9.2561E+00
  3.4075E+00  2.9823E+01 -5.2608E+00
  7.1541E+02  5.7332E+02  3.0205E+02
CT            3547   12.011000    0.145000
  1.1033E+01 -8.0058E+00  1.1060E+01
 -5.0105E+00 -3.7712E+00 -2.6913E+00
 -5.9393E+03 -2.6413E+03 -3.7239E+03
OH            3548    0.000000   -0.683000
  1.0139E+01 -7.4926E+00  1.2022E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3549    1.008000    0.418000
  9.2864E+00 -7.6024E+00  1.1630E+01
 -1.5987E+00 -1.6911E+00  3.8990E+00
 -3.1180E+02  2.0380E+03  2.0327E+02
HC            3550    1.008000    0.040000
  1.0667E+01 -9.0157E+00  1.0875E+01
 -1.1704E+01 -1.3738E+00 -2.8066E+00
  3.7399E+03 -1.9532E+03  2.0243E+03
HC            3551    1.008000    0.040000
  1.2078E+01 -7.9379E+00  1.1362E+01
 -8.3541E+00 -2.4866E+00  9.0790E+00
 -3.3556E+02  1.8851E+02 -1.7027E+03
HC            3552    1.008000    0.040000
  1.0716E+01 -7.6596E+00  1.0076E+01
  7.4354E+00 -3.4778E+01 -1.9014E+01
  5.1883E+03  2.5693E+03  4.5159E+02
CT            3553   12.011000    0.145000
  2.5223E+00 -1.5610E+01  1.1871E+01
  5.1485E+00  1.4444E+00 -3.0201E+00
  5.7279E+03 -2.7150E+03 -7.5234E+02
OH            3554    0.000000   -0.683000
  3.0267E+00 -1.4997E+01  1.3037E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3555    1.008000    0.418000
  3.9705E+00 -1.5042E+01  1.3024E+01
  1.8901E+00  2.4658E+01  3.7711E+00
 -7.1316E+02 -1.1726E+02 -6.7320E+02
HC            3556    1.008000    0.040000
  1.8231E+00 -1.5001E+01  1.1298E+01
 -9.5755E+00 -8.4034E+00  3.8489E+00
 -1.7368E+03 -1.7371E+03  1.3071E+03
HC            3557    1.008000    0.040000
  2.1787E+00 -1.6600E+01  1.2172E+01
 -9.1338E+00  3.8201E+00 -1.0638E+01
 -3.6181E+03  6.6563E+02 -1.8537E+03
HC            3558    1.008000    0.040000
  3.3446E+00 -1.5835E+01  1.1192E+01
 -7.2969E+00  1.2930E+01 -2.2894E+01
 -2.7409E+02  1.2585E+03 -6.7586E+02
CT            3559   12.011000    0.145000
 -2.9306E+00 -8.2367E+00  1.4636E+01
 -9.3874E-01  2.4461E+00 -4.0607E+00
  4.3684E+02 -3.7438E+03  5.1071E+02
OH            3560    0.000000   -0.683000
 -4.3098E+00 -8.4597E+00  1.4827E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3561    1.008000    0.418000
 -4.4353E+00 -9.0177E+00  1.4074E+01
 -7.8154E-01 -2.1931E+00  1.7454E+00
 -2.1018E+03 -6.9650E+02  8.6850E+02
HC            3562    1.008000    0.040000
 -2.7036E+00 -9.2868E+00  1.4452E+01
  1.3192E+01  5.1596E-01  2.0072E+01
  5.4851E+03  3.5262E+02  4.0199E+03
HC            3563    1.008000    0.040000
 -2.3692E+00 -7.9528E+00  1.5527E+01
  7.7523E+00 -1.8032E+01 -2.4509E+00
 -5.6135E+02 -9.4556E+02  9.1512E+01
HC            3564    1.008000    0.040000
 -2.5316E+00 -7.8614E+00  1.3694E+01
 -7.6670E+00 -2.4857E+01 -1.8855E+01
 -3.4720E+03  2.5393E+03  1.1168E+03
CT            3565   12.011000    0.145000
  5.9394E+00 -4.6883E-01  8.4475E-01
  3.1224E+00 -8.2430E+00 -2.8538E+00
 -2.5741E+03  5.2107E+03 -1.9080E+03
OH            3566    0.000000   -0.683000
  4.6099E+00 -9.2780E-01  7.4583E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3567    1.008000    0.418000
  4.3497E+00 -1.0323E+00 -1.5660E-01
 -9.3846E+00 -2.2257E+01  4.6136E+00
 -2.9990E+02 -1.3223E+03  7.6164E+02
HC            3568    1.008000    0.040000
  6.5022E+00 -1.0162E+00  8.8590E-02
  8.0887E+00  1.2836E+01 -1.5238E+01
  3.0916E+03  4.0325E+02  3.3650E+03
HC            3569    1.008000    0.040000
  6.1917E+00 -4.7734E-01  1.9051E+00
  1.2426E+01 -2.6977E+01 -4.8019E+00
  3.6097E+03 -2.3022E+03 -1.2198E+03
HC            3570    1.008000    0.040000
  5.8507E+00  5.5656E-01  4.8584E-01
  1.1801E+01 -1.4144E+01 -2.3336E+01
  2.3269E+03  2.5776E+01 -8.7363E+02
CT            3571   12.011000    0.145000
 -1.3521E+01  2.5340E+00 -3.0493E-01
 -4.2660E-01 -2.1800E+00  3.2069E+00
  4.2097E+03  4.1235E+03  3.4291E+02
OH            3572    0.000000   -0.683000
 -1.4434E+01  3.4776E+00  2.1033E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3573    1.008000    0.418000
 -1.4426E+01  3.4606E+00  1.1552E+00
  1.9488E+01 -1.9164E+01  2.9971E-01
  4.3870E+03 -2.7203E+03 -3.5278E+02
HC            3574    1.008000    0.040000
 -1.3074E+01  1.8209E+00  3.8779E-01
  1.9711E+00 -9.6352E+00 -5.8095E+00
 -1.4602E+03  1.4667E+03  1.9478E+03
HC            3575    1.008000    0.040000
 -1.2704E+01  3.0810E+00 -7.7591E-01
 -1.8867E+01  8.7939E+00 -1.7958E+01
 -3.4507E+02  1.8990E+03  2.8672E+03
HC            3576    1.008000    0.040000
 -1.3656E+01  1.9506E+00 -1.2157E+00
 -1.2832E+01  1.3030E+01 -5.1999E+00
 -6.9776E+03  1.0439E+03  8.7740E+02
CT            3577   12.011000    0.145000
  3.7614E+00 -9.2177E+00  1.1765E+01
  6.7323E+00  1.2845E+00  2.3225E+00
 -1.8420E+03 -1.8644E+03  5.2994E+03
OH            3578    0.000000   -0.683000
  3.3601E+00 -7.9371E+00  1.2198E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3579    1.008000    0.418000
  3.8957E+00 -7.3112E+00  1.1735E+01
 -4.8144E-01  2.8677E+00  3.2778E+00
  1.6697E+03 -8.7667E+02  8.1165E+02
HC            3580    1.008000    0.040000
  4.7615E+00 -9.4096E+00  1.2154E+01
  1.1985E+01  1.3275E+01 -4.7012E+00
  1.6824E+02 -4.0722E+02 -1.0020E+03
HC            3581    1.008000    0.040000
  3.6799E+00 -9.5702E+00  1.0737E+01
  4.0709E+00 -2.2166E+01  9.9758E+00
 -6.1688E+01  2.7366E+03  3.3309E+02
HC            3582    1.008000    0.040000
  2.9826E+00 -9.7591E+00  1.2302E+01
 -1.7501E+01  2.4487E+01 -7.1704E+00
  2.1623E+03 -2.2976E+03 -1.3452E+03
CT            3583   12.011000    0.145000
  1.8055E+01  1.5847E+01  1.6014E+01
  3.3439E+00  7.1427E-01 -5.7820E+00
  2.4849E+02  7.7595E+02 -2.5190E+03
OH            3584    0.000000   -0.683000
  1.8174E+01  1.7230E+01  1.6262E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3585    1.008000    0.418000
  1.8644E+01  1.7534E+01  1.5501E+01
  4.9966E+00  7.5794E+00  5.9592E+00
  1.5602E+03  2.4917E+03  1.9464E+03
HC            3586    1.008000    0.040000
  1.8729E+01  1.5322E+01  1.6691E+01
 -3.3744E+00 -1.1354E+01 -8.1595E+00
 -1.7845E+03 -1.6145E+03  1.5976E+02
HC            3587    1.008000    0.040000
  1.8344E+01  1.5675E+01  1.4977E+01
 -4.6393E+00  7.7415E+00 -9.2936E+00
  1.0981E+03 -5.8116E+02  3.8034E+02
HC            3588    1.008000    0.040000
  1.7012E+01  1.5533E+01  1.6045E+01
  2.9379E+00  2.7086E+00  4.4238E+00
  4.3407E+02 -9.6433E+02  2.4870E+03
CT            3589   12.011000    0.145000
  1.1743E+01  1.4745E+01  1.2207E+01
 -4.5758E+00  7.3940E+00  1.7451E-02
 -4.4756E+03  3.7383E+03  6.7624E+03
OH            3590    0.000000   -0.683000
  1.0570E+01  1.4009E+01  1.1945E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3591    1.008000    0.418000
  9.8759E+00  1.4352E+01  1.2487E+01
 -6.4986E-01 -2.5377E+00  7.8965E-01
  9.3712E+02 -7.5577E+02  1.6684E+03
HC            3592    1.008000    0.040000
  1.2645E+01  1.4597E+01  1.1612E+01
  4.6553E+00  8.0847E+00  1.3387E+01
 -1.2376E+03 -4.1874E+03  9.3642E+02
HC            3593    1.008000    0.040000
  1.1844E+01  1.4604E+01  1.3284E+01
 -1.2822E+01  1.4360E+01  1.8076E+00
  4.0646E+03 -2.1451E+03 -5.3661E+02
HC            3594    1.008000    0.040000
  1.1557E+01  1.5814E+01  1.2310E+01
 -5.1249E+01 -2.2762E-01  2.0833E+01
 -2.7000E+03 -2.1144E+03 -2.6928E+03
CT            3595   12.011000    0.145000
 -6.9674E+00 -1.7330E+01  1.9691E+00
 -7.9695E-01 -3.9744E+00  8.2345E+00
  4.3662E+03  4.1188E+03  2.4486E+03
OH            3596    0.000000   -0.683000
 -5.8328E+00 -1.8119E+01  1.6881E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3597    1.008000    0.418000
 -5.5482E+00 -1.8615E+01  2.4402E+00
  1.3772E+01  2.5930E+00 -3.2255E+00
  1.0403E+02  5.5748E+02  6.4857E+01
HC            3598    1.008000    0.040000
 -6.5944E+00 -1.6311E+01  1.8724E+00
 -2.8602E+01  5.8785E+00 -6.3232E+00
 -2.2675E+03  4.0054E+02 -2.4732E+03
HC            3599    1.008000    0.040000
 -7.1993E+00 -1.7298E+01  3.0336E+00
  2.6663E+01 -1.7105E+01  1.5538E+01
 -2.2471E+03 -3.1846E+03 -1.3631E+03
HC            3600    1.008000    0.040000
 -7.7282E+00 -1.7487E+01  1.2044E+00
  3.3942E+00  2.2738E+00  2.6694E+00
 -1.1373E+03  9.7255E+02  1.7592E+03
CT            3601   12.011000    0.145000
  6.6635E+00 -1.7003E+00  1.0277E+01
 -1.1228E+00  4.0944E+00  1.6069E+00
  3.7701E+02 -1.5659E+03 -2.9255E+02
OH            3602    0.000000   -0.683000
  7.6532E+00 -1.8251E+00  1.1274E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3603    1.008000    0.418000
  7.2342E+00 -1.8959E+00  1.2118E+01
  1.0761E+01 -3.3704E+01  4.0148E+00
  2.6103E+03 -2.0659E+02 -8.7006E+01
HC            3604    1.008000    0.040000
  5.9676E+00 -2.5220E+00  1.0446E+01
 -4.0385E+00  4.4096E+00 -8.2327E+00
 -3.0790E+03  2.8526E+03  8.5101E+02
HC            3605    1.008000    0.040000
  6.8869E+00 -1.9412E+00  9.2378E+00
  2.2472E+01  4.4118E+00  6.0499E+00
  5.0448E+03  6.6376E+02  1.0052E+03
HC            3606    1.008000    0.040000
  6.2294E+00 -7.0416E-01  1.0192E+01
 -8.7649E+00 -4.3426E-01 -1.7620E+01
 -1.6049E+03 -1.2268E+03  1.8343E+03
CT            3607   12.011000    0.145000
 -1.7143E+01 -7.1840E+00  1.3071E+01
 -8.4269E+00  3.3852E+00  1.6934E+00
  5.5644E+03 -1.8841E+03 -5.1413E+03
OH            3608    0.000000   -0.683000
 -1.7708E+01 -8.4087E+00  1.2659E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3609    1.008000    0.418000
 -1.8172E+01 -8.8015E+00  1.3382E+01
  1.0922E+01 -2.0532E+01 -3.3780E+00
 -2.9626E+03  2.6453E+03 -1.7322E+03
HC            3610    1.008000    0.040000
 -1.7767E+01 -6.2989E+00  1.3193E+01
 -1.3556E+01 -2.8153E+00  2.5475E+01
 -1.4524E+03 -2.3261E+03  4.0253E+03
HC            3611    1.008000    0.040000
 -1.6415E+01 -6.9052E+00  1.2309E+01
  1.1388E+01 -2.6269E+01  8.0588E+00
 -2.7488E+02 -1.2960E+03  6.8126E+01
HC            3612    1.008000    0.040000
 -1.6443E+01 -7.4694E+00  1.3856E+01
  8.5971E+00  2.6228E+01 -4.0950E+00
 -1.5474E+03  4.6496E+03  2.2436E+03
CT            3613   12.011000    0.145000
 -1.5890E+01 -1.2173E+01  1.5409E+01
  3.0121E-01 -5.8206E-01 -2.6483E+00
 -2.3713E+03 -1.6816E+03  5.2657E+02
OH            3614    0.000000   -0.683000
 -1.5076E+01 -1.3274E+01  1.5746E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3615    1.008000    0.418000
 -1.4829E+01 -1.3328E+01  1.6657E+01
 -4.4888E+00 -2.4613E+00  1.0990E+00
 -1.1648E+03  3.1584E+03  4.3840E+02
HC            3616    1.008000    0.040000
 -1.6880E+01 -1.2611E+01  1.5274E+01
 -1.4894E+01  2.0180E+01  2.9116E+01
 -4.8041E+02  2.7975E+03  1.7160E+03
HC            3617    1.008000    0.040000
 -1.5568E+01 -1.1698E+01  1.4482E+01
  1.8003E+01  1.4350E+01  1.0413E+01
  6.1971E+02  9.6637E+02  1.4611E+03
HC            3618    1.008000    0.040000
 -1.5886E+01 -1.1426E+01  1.6202E+01
  5.7756E-01  1.7433E+01 -1.8866E+01
 -1.2878E+03  3.8559E+02 -1.0613E+03
CT            3619   12.011000    0.145000
  1.5109E+00  1.4007E+01 -6.8619E-02
  5.8074E+00 -1.3082E-02  4.9640E-01
 -1.1587E+03 -2.5781E+03  5.5206E+02
OH            3620    0.000000   -0.683000
  1.6163E+00  1.3509E+01 -1.3837E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3621    1.008000    0.418000
  1.9510E+00  1.2632E+01 -1.2771E+00
 -1.0355E+01 -2.2340E+00  1.8341E+01
  1.3003E+03  1.1009E+03  2.7711E+02
HC            3622    1.008000    0.040000
  8.9475E-01  1.3374E+01  5.7000E-01
 -1.8218E+01 -5.4985E+00 -2.6065E+01
 -1.0522E+03 -9.2394E+02 -3.0057E+03
HC            3623    1.008000    0.040000
  9.8302E-01  1.4960E+01 -3.7515E-02
 -4.9488E+00 -5.7369E+00 -1.7197E+00
  9.9898E+02  2.0298E+02 -8.7305E+02
HC            3624    1.008000    0.040000
  2.4272E+00  1.4047E+01  5.2041E-01
  2.3276E+00 -1.1455E-01  5.9881E+00
  1.3881E+03  1.2005E+03 -2.6059E+03
CT            3625   12.011000    0.145000
  1.0512E+01  1.6076E+00  1.1263E+01
 -1.6737E-01  7.9349E+00 -2.5432E+00
  1.1201E+03  1.5456E+03  1.9929E+03
OH            3626    0.000000   -0.683000
  1.1886E+01  1.5296E+00  1.0956E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3627    1.008000    0.418000
  1.2294E+01  8.6011E-01  1.1483E+01
 -1.5007E+01 -1.5145E+01 -6.6615E+00
 -1.8996E+03 -7.2007E+02 -1.0819E+02
HC            3628    1.008000    0.040000
  9.9081E+00  7.0034E-01  1.1289E+01
  1.3882E-01  7.8964E+00  5.5271E+00
  1.7820E+03 -8.8363E+02 -2.4476E+03
HC            3629    1.008000    0.040000
  1.0108E+01  2.2688E+00  1.0496E+01
 -4.9719E-01 -2.0566E+01 -2.8916E+01
 -1.4754E+03 -5.4457E+02  2.6576E+03
HC            3630    1.008000    0.040000
  1.0486E+01  1.9122E+00  1.2309E+01
  1.5240E+01 -1.7717E+00  9.8607E-01
 -7.8579E+02  2.0687E+03 -8.9897E+02
CT            3631   12.011000    0.145000
 -1.0550E+01  1.0378E+01  1.8266E+01
 -7.4352E-01  1.0706E-01  1.7701E+00
  1.8665E+03  1.6886E+03 -2.0599E+03
OH            3632    0.000000   -0.683000
 -1.1684E+01  1.1037E+01  1.7748E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3633    1.008000    0.418000
 -1.1873E+01  1.1684E+01  1.8410E+01
  1.0472E+01  1.3537E+01 -9.6367E+00
 -1.0773E+03  1.0120E+03 -1.7798E+03
HC            3634    1.008000    0.040000
 -9.8922E+00  1.0067E+01  1.7454E+01
 -1.7331E+01  4.9962E+00 -1.4241E+01
 -2.0890E+03 -1.0931E+03 -1.0352E+03
HC            3635    1.008000    0.040000
 -1.0718E+01  9.5064E+00  1.8899E+01
  7.3693E+00 -1.0634E+01 -1.0337E+01
 -1.5881E+03  7.4297E+02 -4.4996E+02
HC            3636    1.008000    0.040000
 -9.8862E+00  1.1039E+01  1.8822E+01
 -4.9508E-01 -6.9583E+00  1.0085E+01
 -1.7292E+03  1.0575E+03  7.6024E+02
CT            3637   12.011000    0.145000
 -1.1792E+01  1.4563E+01  1.9807E+01
  4.9712E+00 -1.1334E+00 -2.0899E+00
 -3.1388E+03  2.6109E+02  2.3168E+03
OH            3638    0.000000   -0.683000
 -1.2180E+01  1.3220E+01  1.9627E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3639    1.008000    0.418000
 -1.2630E+01  1.2902E+01  2.0395E+01
  1.7161E+00  1.0611E+01  5.5920E+00
  1.8468E+03  3.4596E+03  2.5473E+03
HC            3640    1.008000    0.040000
 -1.2744E+01  1.4982E+01  2.0133E+01
 -6.4180E+00 -1.2209E+01 -1.9386E+01
  1.1733E+03  2.3505E+03 -6.8785E+02
HC            3641    1.008000    0.040000
 -1.1453E+01  1.4974E+01  1.8856E+01
  2.4348E+01  8.9481E+00  8.5648E+00
  6.6453E+02  1.0530E+03  1.4297E+03
HC            3642    1.008000    0.040000
 -1.1057E+01  1.4717E+01 -2.0303E+01
  5.2670E+00  1.4187E+01 -5.0403E+00
  9.0637E+02  6.3274E+01 -1.1947E+03
CT            3643   12.011000    0.145000
  1.7403E+01 -7.1884E+00  4.1298E+00
 -5.1874E+00 -3.9138E+00 -8.8780E-01
 -1.3586E+01  4.1025E+03 -6.0358E+01
OH            3644    0.000000   -0.683000
  1.7558E+01 -7.0663E+00  2.7337E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3645    1.008000    0.418000
  1.6807E+01 -7.1028E+00  2.1612E+00
  1.5220E+01 -3.5095E+00 -2.0935E+01
 -1.1549E+03 -7.1768E+02  3.4123E+03
HC            3646    1.008000    0.040000
  1.7057E+01 -8.1439E+00  4.5237E+00
 -1.6505E+01  5.2069E+00  1.2268E+01
 -1.8939E+03  1.0446E+03 -8.0098E+02
HC            3647    1.008000    0.040000
  1.6812E+01 -6.3325E+00  4.4549E+00
 -1.8005E+01 -9.2097E+00 -9.4485E+00
 -3.2141E+03 -2.1016E+03  2.9895E+02
HC            3648    1.008000    0.040000
  1.8325E+01 -6.9652E+00  4.6667E+00
 -6.5198E+00 -6.6444E+00  2.5745E+00
  1.3467E+03 -1.6743E+03 -1.5638E+03
CT            3649   12.011000    0.145000
 -2.0108E+00  1.0950E+01  9.7956E+00
 -2.2800E+00  1.3433E+00 -3.9220E-03
  2.7324E+03  1.9033E+03  1.0760E+03
OH            3650    0.000000   -0.683000
 -1.7531E+00  1.1378E+01  8.4772E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3651    1.008000    0.418000
 -8.9194E-01  1.1767E+01  8.4821E+00
 -1.2136E+00  3.0653E+00  1.4369E+01
  1.1139E+02 -7.8645E+02  3.8955E+02
HC            3652    1.008000    0.040000
 -1.6330E+00  1.1744E+01  1.0439E+01
  2.6904E+01  8.9146E+00 -2.4157E+01
 -1.1011E+03 -9.0135E+02 -3.8528E+02
HC            3653    1.008000    0.040000
 -1.4234E+00  1.0038E+01  9.9092E+00
 -1.4702E+01 -9.5648E+00 -1.7990E+01
  3.0866E+03  3.4444E+03  2.1457E+03
HC            3654    1.008000    0.040000
 -3.0450E+00  1.0648E+01  9.9620E+00
 -3.9203E+00  5.7052E+00 -2.1410E+00
 -3.3297E+02  2.0166E+03 -2.3158E+01
CT            3655   12.011000    0.145000
  9.2970E+00  9.2960E+00  2.1799E+00
  1.5618E+00  1.6854E+00  7.0110E-02
  7.2609E+00 -1.7430E+03 -2.8660E+03
OH            3656    0.000000   -0.683000
  8.3612E+00  1.0184E+01  1.6105E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3657    1.008000    0.418000
  7.9450E+00  1.0664E+01  2.3097E+00
  2.7032E+00 -5.7741E+00  5.6819E+00
 -3.0605E+03 -5.3172E+02 -1.6812E+03
HC            3658    1.008000    0.040000
  9.1407E+00  8.3982E+00  1.5819E+00
 -3.8002E+00 -8.9424E-01  5.2399E+00
  9.8575E+02 -1.1409E+03  1.0846E+03
HC            3659    1.008000    0.040000
  9.1861E+00  8.9851E+00  3.2188E+00
  1.6033E+01 -1.4053E+01 -2.6463E+00
 -1.0006E+03  1.0182E+03 -5.7719E+02
HC            3660    1.008000    0.040000
  1.0339E+01  9.5815E+00  2.0332E+00
  3.3179E+00  8.4256E-01  1.0177E+01
 -2.8760E+02  1.0259E+03  5.6885E+02
CT            3661   12.011000    0.145000
  8.3318E+00 -2.3275E+00 -1.7685E+00
  3.2508E-01  2.0743E+00  1.0098E+00
  4.1508E+03 -8.5891E+02  3.2379E+03
OH            3662    0.000000   -0.683000
  9.2242E+00 -1.9682E+00 -2.7992E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3663    1.008000    0.418000
  9.5663E+00 -1.0947E+00 -2.6853E+00
  1.2565E+01 -4.3376E+00 -2.8361E+00
 -2.6468E+03  1.6982E+02  3.1973E+03
HC            3664    1.008000    0.040000
  8.6532E+00 -1.9731E+00 -7.8907E-01
  1.4293E+01 -1.4011E+01  2.7128E+00
 -1.5278E+02  2.4691E+03 -1.1768E+03
HC            3665    1.008000    0.040000
  8.3700E+00 -3.3957E+00 -1.5551E+00
 -9.6305E+00 -2.2460E+00 -1.6802E+01
 -1.6749E+03 -2.4149E+02 -1.3881E+03
HC            3666    1.008000    0.040000
  7.2818E+00 -2.0920E+00 -1.9424E+00
 -1.9559E+00  4.2305E+00  1.6295E+01
  1.0605E+03  1.4441E+03 -3.4758E+02
CT            3667   12.011000    0.145000
  2.0088E+01  8.8834E+00 -6.5731E+00
  1.0815E+00 -7.7249E+00  1.0153E+00
  2.4360E+03 -3.8932E+03 -9.4567E+02
OH            3668    0.000000   -0.683000
 -1.9768E+01  9.1568E+00 -5.6654E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3669    1.008000    0.418000
 -1.9314E+01  9.9126E+00 -6.0052E+00
 -5.9681E+00  8.9214E+00  1.1155E+01
 -6.5127E+02 -2.3542E+02 -6.1910E+02
HC            3670    1.008000    0.040000
  1.9311E+01  8.2111E+00 -6.2100E+00
 -7.9267E+00  4.7367E-01 -2.6423E+00
  1.1671E+02  7.2676E+02  1.2683E+03
HC            3671    1.008000    0.040000
 -2.0375E+01  8.3106E+00 -7.3911E+00
 -2.7933E+00 -2.4190E+01  1.0027E+01
 -3.5063E+01  5.9038E+02 -3.1491E+02
HC            3672    1.008000    0.040000
  1.9614E+01  9.7721E+00 -6.9894E+00
  1.6662E+00 -4.8180E+00  6.4623E+00
 -4.6473E+01  1.9861E+02  1.3445E+03
CT            3673   12.011000    0.145000
  1.0413E+00 -2.0265E+01  1.3106E+01
 -1.9521E+00 -9.0661E-01  9.3735E-01
  1.3330E+02 -1.2240E+03 -7.8165E+02
OH            3674    0.000000   -0.683000
  1.8130E+00  2.0021E+01  1.4114E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3675    1.008000    0.418000
  1.9385E+00  1.9085E+01  1.4108E+01
  9.9038E+00  6.5367E-01 -2.5850E+01
 -2.7265E+03 -5.0695E+01 -7.1628E+03
HC            3676    1.008000    0.040000
  1.5523E+00 -2.0145E+01  1.2150E+01
 -5.1098E+00 -2.3615E+01 -4.1912E+00
  1.1289E+03 -4.6356E+03  1.7786E+02
HC            3677    1.008000    0.040000
  8.2413E-01 -1.9205E+01  1.3234E+01
 -8.0838E+00 -1.3686E+00 -5.0512E+00
 -1.0380E+03 -8.0182E+02  2.8657E+03
HC            3678    1.008000    0.040000
  8.8928E-02  2.0109E+01  1.3033E+01
  7.5362E+00 -1.9076E+01  2.0996E+00
  4.7728E+02  1.0113E+02 -1.6553E+03
CT            3679   12.011000    0.145000
  7.8132E+00 -8.3636E+00  9.5762E+00
  1.6723E+00  1.5692E+00 -1.2458E+00
 -8.9144E+02 -9.0083E+02  8.0063E+02
OH            3680    0.000000   -0.683000
  7.8082E+00 -7.4863E+00  1.0680E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3681    1.008000    0.418000
  6.9470E+00 -7.1351E+00  1.0847E+01
 -8.1638E+00 -1.7660E+01 -2.6398E+00
 -3.5041E+02 -6.6396E+02 -2.3047E+03
HC            3682    1.008000    0.040000
  7.7995E+00 -7.7614E+00  8.6678E+00
 -2.5456E+01  4.1428E-01 -2.4128E+00
  4.0781E+02 -1.5908E+03 -7.0399E+01
HC            3683    1.008000    0.040000
  7.0589E+00 -9.1505E+00  9.5763E+00
  3.4515E+01 -3.2878E+01  6.8069E+00
  9.5488E+02  2.1499E+03  1.8393E+02
HC            3684    1.008000    0.040000
  8.7619E+00 -8.8732E+00  9.7452E+00
  1.5016E+01  2.7429E+01  7.2660E+00
 -1.0675E+03 -6.5399E+02 -2.9978E+03
CT            3685   12.011000    0.145000
  1.7270E+01  7.3550E+00 -1.9796E+01
  5.8377E-01 -1.8016E+00 -2.0285E+00
  1.9515E+03 -5.2004E+03 -5.2421E+03
OH            3686    0.000000   -0.683000
  1.6280E+01  6.4810E+00 -1.9300E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3687    1.008000    0.418000
  1.5491E+01  6.9649E+00 -1.9112E+01
  7.8338E+00  1.2733E+01  1.3119E+00
  1.9146E+02  1.0319E+03 -2.9148E+03
HC            3688    1.008000    0.040000
  1.8048E+01  6.5960E+00 -1.9878E+01
 -2.1865E+00 -4.9296E+00  3.4238E-01
  3.5422E+03  2.7265E+03  4.0220E+03
HC            3689    1.008000    0.040000
  1.7432E+01  8.2547E+00 -1.9202E+01
 -6.6358E-01  1.3298E+01 -2.3413E+01
  1.6650E+03 -4.2982E+02 -1.8481E+03
HC            3690    1.008000    0.040000
  1.7200E+01  7.4753E+00  2.0023E+01
  1.6310E+00  3.8386E+00 -1.4988E+00
 -2.5219E+03  5.2962E+03  3.6560E+02
CT            3691   12.011000    0.145000
 -1.5384E+01 -1.0585E+01  8.4046E+00
 -3.1961E-01 -4.3622E-01  2.1827E+00
  1.2549E+03  9.9876E+02 -2.5500E+03
OH            3692    0.000000   -0.683000
 -1.4633E+01 -1.1772E+01  8.2751E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3693    1.008000    0.418000
 -1.4626E+01 -1.2171E+01  9.1314E+00
  2.3984E+01  3.9818E+00  2.3596E+00
  1.4809E+03 -6.5467E+01 -5.9235E+02
HC            3694    1.008000    0.040000
 -1.6290E+01 -1.0685E+01  7.8077E+00
  6.8327E+00 -8.2917E+00 -7.7120E+00
 -4.1761E+02 -3.6098E+02  1.1075E+03
HC            3695    1.008000    0.040000
 -1.4859E+01 -9.7177E+00  8.0045E+00
  1.5116E+01 -8.3877E+00  4.4268E+00
  1.5737E+03 -1.9484E+03 -2.2141E+03
HC            3696    1.008000    0.040000
 -1.5637E+01 -1.0171E+01  9.3803E+00
 -2.3605E+01 -9.4746E+00  6.1384E-01
 -7.8658E+01 -4.3554E+03  1.1068E+03
CT            3697   12.011000    0.145000
  1.4603E+01 -9.3412E+00 -1.4115E+01
 -3.0358E+00 -3.3349E+00  1.6052E+00
 -1.5589E+03 -2.2384E+03  9.4457E+02
OH            3698    0.000000   -0.683000
  1.5414E+01 -9.5240E+00 -1.2976E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3699    1.008000    0.418000
  1.6306E+01 -9.4380E+00 -1.3275E+01
  3.2639E+00  2.4641E+00  1.0062E+01
  1.2941E+03  8.2691E+02  4.0003E+03
HC            3700    1.008000    0.040000
  1.4863E+01 -9.9492E+00 -1.4982E+01
 -2.8049E-01  2.5356E+01 -1.9157E+01
  8.5365E+02  2.8225E+02  1.5904E+03
HC            3701    1.008000    0.040000
  1.4563E+01 -8.3441E+00 -1.4554E+01
  6.9550E+00 -4.5966E+00 -2.4430E+00
  2.2357E+03  5.2966E+02  1.6555E+03
HC            3702    1.008000    0.040000
  1.3570E+01 -9.5761E+00 -1.3860E+01
 -5.4146E-01 -3.2269E+00  1.2275E+01
  1.6192E+02 -2.8578E+02  8.3229E+02
CT            3703   12.011000    0.145000
 -1.3809E+01  4.5968E+00  1.1140E+01
  2.9739E+00  5.5751E+00 -1.0665E+00
  1.8158E+03  4.9511E+02 -9.8046E+02
OH            3704    0.000000   -0.683000
 -1.2912E+01  4.3121E+00  1.2190E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3705    1.008000    0.418000
 -1.2425E+01  3.5298E+00  1.1981E+01
 -2.9501E+00 -2.9877E+00  4.1354E+00
 -2.1931E+02 -7.8349E+02  2.4006E+03
HC            3706    1.008000    0.040000
 -1.3351E+01  4.0583E+00  1.0310E+01
 -1.2914E+00 -7.3235E+00  4.6888E+00
 -1.5657E+03  1.1877E+03 -1.4228E+03
HC            3707    1.008000    0.040000
 -1.3725E+01  5.6712E+00  1.0976E+01
  2.4464E+01  3.5481E+00 -6.4498E+00
 -1.7909E+03 -5.9740E+02 -1.3220E+03
HC            3708    1.008000    0.040000
 -1.4811E+01  4.2212E+00  1.1346E+01
 -1.5127E+00  1.2181E+01 -1.0127E+01
 -3.0695E+02  9.8720E+02 -1.0006E+03
CT            3709   12.011000    0.145000
 -7.1895E+00 -1.6596E+01 -4.0227E+00
 -7.7933E-02 -1.1720E+00 -1.0807E+00
 -1.2276E+02 -1.2110E+03 -1.0985E+03
OH            3710    0.000000   -0.683000
 -8.0731E+00 -1.5818E+01 -4.7995E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3711    1.008000    0.418000
 -8.3679E+00 -1.6493E+01 -5.3918E+00
 -5.1173E+00 -1.3213E+01  1.6784E+01
 -3.7631E+02  1.2227E+03 -2.5428E+02
HC            3712    1.008000    0.040000
 -7.7115E+00 -1.7444E+01 -3.5795E+00
 -3.6878E+00  2.5190E+00  1.8105E+00
 -1.2148E+03  1.9630E+03  2.4806E+03
HC            3713    1.008000    0.040000
 -6.6324E+00 -1.5964E+01 -3.3313E+00
  1.7154E+01  1.0369E+00 -1.6218E+01
 -7.1786E+02 -1.1900E+03  5.5225E+02
HC            3714    1.008000    0.040000
 -6.4712E+00 -1.7159E+01 -4.6179E+00
 -5.6166E+00  3.3180E+00 -1.2316E+01
  8.5416E+02  2.7085E+03 -1.5366E+03
CT            3715   12.011000    0.145000
  1.2569E+01 -9.9089E+00  3.2896E+00
  3.6337E+00 -1.0390E+00  1.9065E+00
 -1.3893E+03  1.8614E+03  5.1460E+02
OH            3716    0.000000   -0.683000
  1.3264E+01 -9.0259E+00  2.4375E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3717    1.008000    0.418000
  1.3257E+01 -8.1422E+00  2.7721E+00
 -1.0122E+01  2.3135E+00 -5.8836E+00
 -2.5189E+03 -2.2997E+02  3.6329E+02
HC            3718    1.008000    0.040000
  1.2688E+01 -9.5844E+00  4.3233E+00
  8.8469E+00  1.5470E+01 -3.5570E+00
  1.7625E+03 -9.5264E+02 -1.8351E+02
HC            3719    1.008000    0.040000
  1.2905E+01 -1.0935E+01  3.1412E+00
 -1.1793E+00 -4.5604E+00  1.4131E+01
 -3.5329E+02  1.0013E+02  8.5744E+02
HC            3720    1.008000    0.040000
  1.1495E+01 -9.8799E+00  3.1074E+00
  5.2895E+00  2.2113E+00 -7.9476E+00
  1.4385E+02  4.0805E+02 -1.1013E+03
CT            3721   12.011000    0.145000
  5.2569E+00  9.1837E+00 -8.7962E+00
  1.0066E+00 -1.5478E+00 -3.7791E+00
 -1.5158E+03  5.9965E+03  3.1983E+03
OH            3722    0.000000   -0.683000
  6.6184E+00  9.4400E+00 -8.5339E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3723    1.008000    0.418000
  6.9408E+00  9.8153E+00 -9.3390E+00
  1.2108E+01  8.6838E+00  8.5310E+00
  2.7823E+03  5.8624E+02  1.5247E+03
HC            3724    1.008000    0.040000
  4.7368E+00  1.0060E+01 -9.1833E+00
 -1.3039E+01 -8.3701E+00 -9.9874E-01
  1.0090E+03 -3.3510E+02 -2.2784E+03
HC            3725    1.008000    0.040000
  4.8519E+00  9.1968E+00 -7.7843E+00
 -4.6464E+00 -2.0506E+01 -5.4055E+00
 -3.3743E+03 -5.7508E+03 -8.9358E+02
HC            3726    1.008000    0.040000
  4.9510E+00  8.3314E+00 -9.4030E+00
 -1.7178E+01  1.1431E+00  1.0124E+00
  6.0694E+02 -7.9763E+01  1.3864E+03
CT            3727   12.011000    0.145000
  9.6355E+00 -2.8138E+00  6.4924E+00
 -2.7002E+00  1.6391E+00  6.3209E+00
  8.9138E+02 -9.8282E+02 -6.9437E+02
OH            3728    0.000000   -0.683000
  1.0940E+01 -2.6289E+00  6.9939E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3729    1.008000    0.418000
  1.0904E+01 -2.8587E+00  7.9098E+00
 -1.8739E+01 -1.9808E+01 -4.8796E+00
 -5.6917E+03  1.8216E+03 -3.7575E+02
HC            3730    1.008000    0.040000
  8.9307E+00 -3.1874E+00  7.2353E+00
 -1.3303E+01  1.4528E+01  3.1317E+00
 -5.8709E+02  2.5460E+03  4.3537E+02
HC            3731    1.008000    0.040000
  9.4269E+00 -3.5211E+00  5.6897E+00
  9.5115E+00  2.0078E+01 -1.4235E+01
  6.0094E+03 -1.3498E+03  5.7340E+02
HC            3732    1.008000    0.040000
  9.1979E+00 -1.9651E+00  5.9667E+00
 -2.2269E+00  1.4039E+01  2.4989E+01
  1.4384E+03  2.4051E+03  3.1587E+03
CT            3733   12.011000    0.145000
  5.6397E+00 -7.1212E+00  1.5621E+01
  4.5916E+00  1.0446E-01  3.3771E+00
  4.6260E+03 -2.7616E+02 -2.6405E+03
OH            3734    0.000000   -0.683000
  5.6453E+00 -8.5310E+00  1.5647E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3735    1.008000    0.418000
  5.5271E+00 -8.7465E+00  1.6559E+01
 -2.7015E+01  2.9535E+00 -1.9884E+00
  2.2399E+03 -3.4875E+02 -8.8680E+02
HC            3736    1.008000    0.040000
  6.6403E+00 -6.6968E+00  1.5703E+01
 -8.3054E-01  1.1560E+01  1.3360E+01
  3.8335E+02 -7.6876E+02  3.2449E+02
HC            3737    1.008000    0.040000
  5.0853E+00 -6.5796E+00  1.6387E+01
 -5.7084E+00  1.2223E+01 -1.1998E+01
 -2.3317E+03 -7.6696E+02 -2.0875E+03
HC            3738    1.008000    0.040000
  5.3251E+00 -6.9543E+00  1.4590E+01
  1.4889E+00 -3.8823E+00  3.6537E+00
 -2.4199E+03  2.8033E+03  1.1619E+03
CT            3739   12.011000    0.145000
 -1.3173E+01  8.9626E+00  1.5506E+01
 -2.5488E+00  7.7504E-01  4.8281E+00
 -2.4955E+03  8.3299E+02  3.0875E+03
OH            3740    0.000000   -0.683000
 -1.2977E+01  1.0353E+01  1.5380E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3741    1.008000    0.418000
 -1.2483E+01  1.0579E+01  1.6153E+01
 -7.1699E+00 -1.2547E+01  8.6131E+00
 -2.2855E+03  4.7362E+02  1.0356E+03
HC            3742    1.008000    0.040000
 -1.3704E+01  8.4352E+00  1.4713E+01
  3.5742E+01 -1.7252E+01 -1.1401E+01
  4.5337E+03  1.6614E+03 -2.2624E+03
HC            3743    1.008000    0.040000
 -1.3830E+01  8.5986E+00  1.6296E+01
 -3.0912E+01  1.8172E+01 -9.0695E+00
  7.4151E+02  4.7424E+03  1.6574E+03
HC            3744    1.008000    0.040000
 -1.2197E+01  8.5487E+00  1.5760E+01
 -3.3347E-01  3.8950E+00  1.5046E+00
 -1.7111E+02 -1.8638E+03 -3.1751E+03
CT            3745   12.011000    0.145000
  1.0085E+01  6.4908E+00 -6.0865E-01
  9.6525E-01 -2.2229E+00 -2.2062E+00
  4.0257E+02  1.4658E+03  2.8496E+03
OH            3746    0.000000   -0.683000
  9.3363E+00  5.5032E+00  6.3794E-02
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3747    1.008000    0.418000
  9.7689E+00  5.5412E+00  9.0313E-01
 -8.9031E+00 -1.6522E+01  5.7979E+00
 -2.4711E+03 -2.3600E+03  1.2105E+03
HC            3748    1.008000    0.040000
  1.0772E+01  7.0100E+00  5.9438E-02
 -1.8572E+00  3.2384E+01 -2.3699E+01
 -2.1673E+03 -6.2551E+02  4.1293E+02
HC            3749    1.008000    0.040000
  9.3874E+00  7.2921E+00 -8.5217E-01
 -2.3180E+01 -1.8143E+01  1.0480E+01
  1.4654E+03 -6.8696E+02 -1.6088E+03
HC            3750    1.008000    0.040000
  1.0806E+01  6.2099E+00 -1.3768E+00
 -8.0767E+00 -1.6851E+01 -5.7394E+00
 -2.8296E+03 -2.4595E+03 -1.4145E+03
CT            3751   12.011000    0.145000
 -1.0193E+01  1.2214E+01  2.6968E+00
 -6.9325E+00  3.3923E+00 -2.8720E+00
 -3.5975E+03  2.6123E+03 -2.5190E+03
OH            3752    0.000000   -0.683000
 -1.0003E+01  1.1544E+01  1.4708E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3753    1.008000    0.418000
 -9.2851E+00  1.0968E+01  1.6847E+00
 -5.6532E+00 -5.2070E+00  5.3675E+00
  1.0351E+03  7.3983E+02 -2.3842E+03
HC            3754    1.008000    0.040000
 -1.1020E+01  1.2827E+01  2.3381E+00
 -1.0265E+00  5.2261E+00 -1.3797E+01
 -1.0701E+03  1.1595E+03  4.3127E+03
HC            3755    1.008000    0.040000
 -9.3353E+00  1.2848E+01  2.9217E+00
 -4.1628E-01 -7.1850E+00  2.9478E+00
 -1.8249E+02 -6.4946E+02  1.2415E+03
HC            3756    1.008000    0.040000
 -1.0458E+01  1.1548E+01  3.5177E+00
 -2.7247E+01  2.7291E+01  1.1389E+01
 -2.3448E+02  1.8299E+03 -1.6220E+02
CT            3757   12.011000    0.145000
  1.8387E+01  7.3260E+00  1.6780E+01
 -2.9890E+00 -2.1262E+00 -1.0357E-01
 -4.3472E+03 -2.9069E+03  1.5640E+03
OH            3758    0.000000   -0.683000
  1.7575E+01  8.4771E+00  1.6719E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3759    1.008000    0.418000
  1.7961E+01  9.2809E+00  1.7032E+01
  4.6808E+00  9.3365E+00 -2.7093E+01
  2.8724E+03 -2.2306E+03 -5.2727E+02
HC            3760    1.008000    0.040000
  1.8256E+01  6.8339E+00  1.5816E+01
 -4.8722E+00  1.4594E+01 -8.7572E+00
  1.4307E+03  3.5410E+02 -7.1470E+01
HC            3761    1.008000    0.040000
  1.7924E+01  6.6480E+00  1.7497E+01
 -1.8653E+01  8.3225E-02 -7.6868E+00
 -3.5066E+02  4.0189E+02  3.1620E+02
HC            3762    1.008000    0.040000
  1.9447E+01  7.3399E+00  1.7032E+01
  2.0472E+00 -8.3063E+00 -1.9233E+01
 -6.4760E+02  2.1035E+03 -6.0358E+02
CT            3763   12.011000    0.145000
 -1.4514E+01  9.7995E+00 -8.0796E+00
  2.8603E-01  1.2290E+00  6.9496E-01
  3.3262E+03 -5.1378E+03 -1.8419E+03
OH            3764    0.000000   -0.683000
 -1.4793E+01  9.1674E+00 -6.8503E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3765    1.008000    0.418000
 -1.4315E+01  9.6297E+00 -6.1782E+00
 -2.2198E+01 -1.6453E+00  1.8115E+01
 -1.3112E+03 -4.0481E+02  1.6379E+02
HC            3766    1.008000    0.040000
 -1.3435E+01  9.8856E+00 -8.2075E+00
 -3.2487E+00  1.6156E+00 -4.6115E+01
 -1.9684E+03  2.5710E+03 -9.4629E+02
HC            3767    1.008000    0.040000
 -1.5079E+01  1.0694E+01 -8.3414E+00
 -6.8334E+00 -6.6667E-02  1.1011E+01
  1.2138E+03  8.9650E+02  2.7367E+03
HC            3768    1.008000    0.040000
 -1.4751E+01  9.0752E+00 -8.8589E+00
 -4.9450E+00 -9.2267E+00  1.1674E+01
 -3.9294E+02 -2.7429E+02  2.0822E+02
CT            3769   12.011000    0.145000
  1.7430E+01 -1.1132E+01 -1.7879E+01
 -1.5330E+00  2.1023E+00  2.3997E+00
  4.3730E+03  2.7333E+03 -2.7307E+03
OH            3770    0.000000   -0.683000
  1.6552E+01 -1.0647E+01 -1.8869E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3771    1.008000    0.418000
  1.6881E+01 -9.7917E+00 -1.9098E+01
  2.1935E+01 -8.6506E-01  2.3726E+01
 -2.4116E+02 -1.4425E+03 -7.3930E+02
HC            3772    1.008000    0.040000
  1.8365E+01 -1.1202E+01 -1.8434E+01
 -2.0501E+01  5.6400E+00 -3.2883E+01
 -7.8180E+02 -4.8422E+02  1.0634E+03
HC            3773    1.008000    0.040000
  1.7212E+01 -1.2083E+01 -1.7393E+01
 -4.7780E+00  1.0397E+01  1.7854E+01
 -1.3443E+03  7.6557E+02 -5.8336E+02
HC            3774    1.008000    0.040000
  1.7620E+01 -1.0385E+01 -1.7107E+01
 -7.5854E+00 -7.8816E+00  1.3900E+01
 -2.1932E+03 -1.1851E+03  1.6524E+03
CT            3775   12.011000    0.145000
 -8.0081E+00  1.1225E+01 -9.6681E-01
  3.7112E-01  3.8444E-01  3.0042E-01
  2.9145E+03  1.2696E+02  1.0179E+03
OH            3776    0.000000   -0.683000
 -7.6045E+00  1.1792E+01 -2.1928E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3777    1.008000    0.418000
 -7.9874E+00  1.1260E+01 -2.8731E+00
  2.2690E+00 -6.5608E+00  3.7672E+00
  1.0146E+03 -1.8721E+02 -3.4204E+02
HC            3778    1.008000    0.040000
 -7.5513E+00  1.1819E+01 -1.7559E-01
 -1.2049E+01  8.1471E+00  1.9130E+00
  8.3237E+01 -9.1662E+02  5.7364E+02
HC            3779    1.008000    0.040000
 -7.6317E+00  1.0202E+01 -9.3478E-01
  5.2744E-01  6.6434E-01  1.0927E+01
 -6.9691E+02 -2.3145E+02  1.2919E+03
HC            3780    1.008000    0.040000
 -9.0828E+00  1.1211E+01 -7.8514E-01
 -2.8185E+00 -1.2668E+01 -1.6913E+01
 -1.3347E+02 -2.7800E+02 -3.4942E+03
CT            3781   12.011000    0.145000
  1.6365E+01 -1.8261E+01 -1.2335E+01
  3.4495E+00  4.4882E+00 -1.5013E+00
 -3.6727E+03 -6.2438E+03 -7.8614E+01
OH            3782    0.000000   -0.683000
  1.5323E+01 -1.7731E+01 -1.3123E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3783    1.008000    0.418000
  1.4431E+01 -1.8001E+01 -1.2969E+01
 -2.0634E+00  1.2603E+01  1.2130E+01
  2.1237E+03 -2.6876E+03  5.7871E+03
HC            3784    1.008000    0.040000
  1.7293E+01 -1.7812E+01 -1.2691E+01
  1.1478E+01 -3.1258E+00  9.1641E+00
  7.2420E+02  9.3194E+02  4.7840E+03
HC            3785    1.008000    0.040000
  1.6449E+01 -1.9310E+01 -1.2618E+01
  2.4648E+01  2.9987E+00  8.3348E+00
  6.3596E+02 -5.1746E+02  1.7054E+03
HC            3786    1.008000    0.040000
  1.6016E+01 -1.8072E+01 -1.1320E+01
  1.0464E+01  6.0185E+01 -6.3096E+00
  5.0867E+03  1.0955E+03 -1.1386E+03
CT            3787   12.011000    0.145000
  1.2210E+01 -1.5829E+01  1.9052E+01
  1.9920E-01 -1.1939E+00  6.4259E-01
 -8.4369E+02  4.2111E+03 -1.7376E+02
OH            3788    0.000000   -0.683000
  1.0828E+01 -1.6098E+01  1.8978E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3789    1.008000    0.418000
  1.0627E+01 -1.6240E+01  1.9890E+01
  3.0132E+01 -1.6626E+00  7.4360E+00
 -2.9895E+02 -2.2669E+02 -1.2500E+03
HC            3790    1.008000    0.040000
  1.2249E+01 -1.4920E+01  1.9651E+01
  1.2330E+00 -8.0180E+00  1.1198E+01
  1.9481E+03 -1.6493E+03  2.8808E+03
HC            3791    1.008000    0.040000
  1.2660E+01 -1.5556E+01  1.8098E+01
  7.3503E+00 -2.8790E+01 -4.7809E+00
  3.0782E+02 -3.4739E+03 -4.7774E+02
HC            3792    1.008000    0.040000
  1.2616E+01 -1.6725E+01  1.9523E+01
  3.7359E+00  7.7170E-01  1.3680E+00
  3.5205E+03  1.8253E+03 -2.7897E+02
CT            3793   12.011000    0.145000
 -1.8554E+01 -2.1995E+00 -2.1987E+00
  2.5905E+00  2.3729E+00 -3.8770E-01
  4.9161E+03 -1.2649E+03 -2.5501E+03
OH            3794    0.000000   -0.683000
 -1.9086E+01 -1.8291E+00 -3.4511E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3795    1.008000    0.418000
 -1.9407E+01 -9.4792E-01 -3.3340E+00
  3.9201E+01  1.4302E+01  1.7118E+01
  3.5507E+03 -6.1210E+02  2.3315E+03
HC            3796    1.008000    0.040000
 -1.8250E+01 -3.2460E+00 -2.2156E+00
 -1.3071E+01 -2.4487E+00  1.6664E-01
 -6.1085E+02 -1.8643E+02 -1.1739E+03
HC            3797    1.008000    0.040000
 -1.9139E+01 -2.1643E+00 -1.2796E+00
  8.7077E+00 -1.2020E+01  4.3470E+00
 -1.5737E+03  1.4254E+03 -2.0367E+03
HC            3798    1.008000    0.040000
 -1.7606E+01 -1.7066E+00 -1.9835E+00
  4.0905E+00 -6.2744E+00  1.4152E+01
 -8.7149E+02  1.5699E+03 -4.8898E+01
CT            3799   12.011000    0.145000
 -1.6276E+01 -1.5651E+01 -1.1647E+01
 -2.8507E+00 -1.0857E+00  3.0065E+00
  9.1383E+02  6.6621E+02 -2.0562E+03
OH            3800    0.000000   -0.683000
 -1.6421E+01 -1.6918E+01 -1.2248E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3801    1.008000    0.418000
 -1.7276E+01 -1.7281E+01 -1.2072E+01
  6.7946E+00 -8.3723E+00  1.8300E+01
 -1.9006E+02  2.0106E+03  3.1187E+02
HC            3802    1.008000    0.040000
 -1.5528E+01 -1.5090E+01 -1.2207E+01
 -5.1591E+00 -5.9997E+00 -5.1733E+00
  6.4857E+02 -5.7139E+02  1.4669E+02
HC            3803    1.008000    0.040000
 -1.5889E+01 -1.5746E+01 -1.0633E+01
 -1.5640E+00  2.3996E+01  5.4999E+00
 -2.3516E+03  9.3528E+02  2.7079E+02
HC            3804    1.008000    0.040000
 -1.7204E+01 -1.5089E+01 -1.1757E+01
 -1.1133E+01 -1.6010E+01 -6.9245E+00
 -7.8913E+01 -5.7882E+02  1.9199E+03
CT            3805   12.011000    0.145000
 -1.5294E+01  6.3956E+00  1.8675E+01
 -5.2377E+00  4.2598E+00  4.1914E+00
 -1.7541E+03  8.9335E+02  1.6798E+03
OH            3806    0.000000   -0.683000
 -1.4931E+01  5.6839E+00  1.9837E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3807    1.008000    0.418000
 -1.4015E+01  5.8390E+00  2.0012E+01
  2.8061E+00 -2.4759E+01  1.1576E+01
 -6.5771E+02 -1.3447E+03  1.3063E+03
HC            3808    1.008000    0.040000
 -1.6377E+01  6.5095E+00  1.8727E+01
 -7.5080E+00 -9.1401E+00 -7.5492E+00
  1.6629E+02  7.8985E+02 -9.9156E+02
HC            3809    1.008000    0.040000
 -1.5083E+01  5.9053E+00  1.7725E+01
  1.6186E+01 -1.3482E+01  1.7117E+01
  1.3934E+03 -1.5157E+03  1.9623E+03
HC            3810    1.008000    0.040000
 -1.4805E+01  7.3682E+00  1.8621E+01
 -2.3134E-01  1.1054E+00 -1.3428E+01
 -4.8197E+02 -1.2456E+02  4.5633E+02
CT            3811   12.011000    0.145000
  1.5179E+01 -9.4913E-03 -2.8542E+00
 -6.0539E-01 -3.8423E+00  4.1635E+00
  1.7885E+03  6.6298E+02 -2.5625E+03
OH            3812    0.000000   -0.683000
  1.6225E+01  6.0898E-01 -2.1392E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3813    1.008000    0.418000
  1.6616E+01 -7.4628E-02 -1.6166E+00
  2.3900E+01  2.5787E+01  1.8920E+01
 -7.8808E+02  1.9266E+03  2.9790E+02
HC            3814    1.008000    0.040000
  1.4435E+01 -5.8978E-01 -2.3089E+00
 -1.9894E+01  8.8377E+00 -7.4446E+00
 -1.0832E+03  3.4879E+03  8.6894E+02
HC            3815    1.008000    0.040000
  1.5503E+01 -7.4632E-01 -3.5893E+00
  7.6159E+00  1.4421E+01 -1.1397E+01
  2.3564E+03  1.5031E+03 -1.9166E+01
HC            3816    1.008000    0.040000
  1.4795E+01  7.7486E-01 -3.5065E+00
  1.5547E+01 -1.6737E+01 -2.2609E+01
 -2.3985E+03 -2.1283E+03  6.9241E+02
CT            3817   12.011000    0.145000
 -1.7601E+01 -6.4828E+00 -8.2955E+00
 -8.7542E-01 -1.6934E+00  2.5414E+00
  1.3737E+03  2.6165E+03 -4.6163E+03
OH            3818    0.000000   -0.683000
 -1.8955E+01 -6.2310E+00 -8.5981E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3819    1.008000    0.418000
 -1.8945E+01 -5.4242E+00 -9.0900E+00
  2.4373E+00  4.7228E+00  7.6172E+00
 -2.2154E+03 -5.7067E+02 -6.7373E+02
HC            3820    1.008000    0.040000
 -1.7009E+01 -5.5819E+00 -8.1345E+00
  2.7022E+01 -1.9951E+01  9.3145E+00
 -1.0193E+03 -8.5652E+02  2.6280E+03
HC            3821    1.008000    0.040000
 -1.7104E+01 -6.7931E+00 -9.2148E+00
  2.5939E+00  1.0486E+01  1.2451E-01
 -3.3618E+02 -1.3916E+03  1.9983E+02
HC            3822    1.008000    0.040000
 -1.7381E+01 -7.1965E+00 -7.5015E+00
  5.9670E+00  9.0404E+00  1.0583E+01
 -5.5617E+02  7.0020E+02 -4.2712E+01
CT            3823   12.011000    0.145000
 -1.7448E+00 -1.9432E+01  8.5038E-01
  2.4677E+00 -3.0350E+00  7.7192E-01
 -5.5270E+03 -3.2940E+03  4.6641E+03
OH            3824    0.000000   -0.683000
 -2.2816E+00 -2.0142E+01 -2.4355E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3825    1.008000    0.418000
 -2.0456E+00 -1.9611E+01 -9.8893E-01
 -1.7587E+01 -7.7178E+00 -1.1745E+01
 -3.1428E+03  6.8561E+02 -6.6763E+01
HC            3826    1.008000    0.040000
 -2.0125E+00 -1.9879E+01  1.8082E+00
 -7.4942E+00  2.6014E+01  1.2651E+01
 -2.5156E+03  2.6985E+02 -9.9909E+02
HC            3827    1.008000    0.040000
 -2.3629E+00 -1.8537E+01  7.7866E-01
 -8.6088E+00 -1.0935E+01 -5.4806E+00
  2.3672E+03  1.3012E+03  2.3601E+03
HC            3828    1.008000    0.040000
 -6.9004E-01 -1.9307E+01  1.0949E+00
  3.8642E+00 -1.2806E+00 -5.9459E+00
  8.8982E+02  1.2498E+03 -6.0248E+03
CT            3829   12.011000    0.145000
 -1.6422E+01  1.6011E+01 -7.4011E+00
  2.4285E+00 -2.7181E+00 -1.8776E+00
  1.0677E+03  4.2582E+03 -6.0321E+03
OH            3830    0.000000   -0.683000
 -1.5294E+01  1.6615E+01 -6.8084E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3831    1.008000    0.418000
 -1.5521E+01  1.6886E+01 -5.9319E+00
 -1.5840E+01 -5.4958E-01 -3.6186E+00
 -4.1273E+01  1.0161E+03 -6.2130E+02
HC            3832    1.008000    0.040000
 -1.7073E+01  1.6843E+01 -7.6684E+00
 -1.8501E+00 -2.7727E-01  1.4989E+01
 -2.3008E+03 -9.6591E+02  1.7749E+03
HC            3833    1.008000    0.040000
 -1.6922E+01  1.5232E+01 -6.8250E+00
  1.6488E+01  2.1941E+00  1.8034E+01
  1.2462E+03  5.1428E+02 -2.1930E+02
HC            3834    1.008000    0.040000
 -1.6067E+01  1.5668E+01 -8.3729E+00
 -2.1926E+01 -2.4109E+01 -4.3151E+00
 -1.6998E+03 -3.1975E+03  7.4587E+02
CT            3835   12.011000    0.145000
 -1.8330E+01  5.5517E+00  3.8248E+00
  2.5891E+00  5.1933E+00  2.2381E+00
 -6.3105E+01 -8.4534E+02 -4.8454E+02
OH            3836    0.000000   -0.683000
 -1.7315E+01  5.4584E+00  2.8501E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3837    1.008000    0.418000
 -1.6880E+01  6.2677E+00  2.6300E+00
 -1.8991E+01  1.0159E+01 -2.3521E+00
 -2.1966E+03  1.8722E+03  3.9704E+03
HC            3838    1.008000    0.040000
 -1.8931E+01  4.6438E+00  3.7744E+00
  3.9793E+00  3.8854E+00  8.4033E+00
  3.5282E+03 -2.4372E+03  9.2222E+02
HC            3839    1.008000    0.040000
 -1.9240E+01  6.1432E+00  3.7215E+00
  1.2940E+01  2.0781E+01 -3.3528E+00
  3.7726E+03  5.5944E+03 -1.4637E+03
HC            3840    1.008000    0.040000
 -1.7832E+01  5.6389E+00  4.7904E+00
  7.8833E-01  6.1753E+00  3.0831E+00
 -2.4603E+03  5.0697E+02  1.1768E+03
CT            3841   12.011000    0.145000
 -1.9049E+01 -1.7921E+01  2.6204E+00
  4.6827E+00  3.5034E-02  3.6813E-01
 -2.6536E+03 -8.3497E+01 -1.9716E+03
OH            3842    0.000000   -0.683000
 -1.9033E+01 -1.9325E+01  2.4973E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3843    1.008000    0.418000
 -1.9259E+01 -1.9417E+01  1.5841E+00
 -1.6561E+01  1.1476E+01  2.4857E+00
 -2.7161E+03 -1.6236E+03  1.1848E+03
HC            3844    1.008000    0.040000
 -1.8414E+01 -1.7342E+01  3.2918E+00
 -1.2492E+01 -4.6376E-01  1.7926E+01
  2.2795E+03 -4.8869E+03  5.0750E+02
HC            3845    1.008000    0.040000
 -1.9993E+01 -1.7566E+01  3.0334E+00
  1.4571E+01  4.1022E+00  2.0759E+01
 -6.9844E+02 -1.2407E+03 -1.9574E+03
HC            3846    1.008000    0.040000
 -1.8896E+01 -1.7535E+01  1.6124E+00
 -1.4506E+01 -1.2812E+01 -8.0552E+00
 -1.1342E+03  2.2988E+02  3.5345E+02
CT            3847   12.011000    0.145000
 -1.2578E+01  1.2868E+00  5.2018E+00
  2.5845E+00 -5.8253E-01  1.4357E+00
  2.5556E+03 -5.9538E+02  1.3404E+03
OH            3848    0.000000   -0.683000
 -1.1857E+01  1.6621E+00  4.0497E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3849    1.008000    0.418000
 -1.2572E+01  2.1536E+00  3.6748E+00
 -1.3135E+01 -1.8720E+01 -8.9461E-01
  3.5145E+03  8.9137E+02 -3.3576E+03
HC            3850    1.008000    0.040000
 -1.2821E+01  2.2168E+00  5.7156E+00
  2.0458E-01  3.0644E+00 -6.1441E+00
 -2.4806E+03 -2.4445E+02 -8.9007E+02
HC            3851    1.008000    0.040000
 -1.2018E+01  7.2580E-01  5.9498E+00
 -4.8180E+00 -2.6986E+00  5.4944E+00
  5.1610E+02 -1.8669E+03 -1.6243E+03
HC            3852    1.008000    0.040000
 -1.3488E+01  7.8120E-01  4.8803E+00
 -1.4267E+01  2.5127E+01  5.7354E+00
 -7.0742E+01  8.7108E+02  2.0622E+03
CT            3853   12.011000    0.145000
  1.9490E+01 -7.4832E+00  1.6930E+01
  8.0279E-01  1.2227E+00  5.3617E+00
  4.4376E+02  7.7341E+03  1.2468E+03
OH            3854    0.000000   -0.683000
 -2.0017E+01 -7.4880E+00  1.6717E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3855    1.008000    0.418000
 -1.9531E+01 -6.7051E+00  1.6928E+01
 -8.1099E+00  1.0828E+01 -1.8924E+01
 -6.3628E+03  3.5084E+03  1.7023E+02
HC            3856    1.008000    0.040000
  1.9429E+01 -7.5368E+00  1.8017E+01
  1.7494E+01 -6.8114E+00  6.2145E+00
 -3.3785E+03 -2.1276E+03 -7.0887E+02
HC            3857    1.008000    0.040000
  1.8952E+01 -8.1700E+00  1.6277E+01
  1.1986E+01  1.0945E+01 -1.5038E+01
  1.0072E+03 -1.6487E+03  3.2072E+03
HC            3858    1.008000    0.040000
  1.9051E+01 -6.5423E+00  1.6598E+01
  9.8512E-02 -5.6014E+00 -1.4347E+01
  1.0726E+03  5.8850E+02 -1.6675E+02
CT            3859   12.011000    0.145000
 -1.1535E+01 -8.0926E-01  1.0246E+01
  2.1759E+00 -2.6627E+00 -2.9035E+00
  9.9814E+02 -1.1096E+03  1.1859E+03
OH            3860    0.000000   -0.683000
 -1.0417E+01  4.7199E-02  1.0306E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3861    1.008000    0.418000
 -1.0128E+01 -1.5436E-03  9.4074E+00
  3.8393E-01 -1.1747E+01  6.0550E-01
  1.6116E+03  3.3972E+03  6.9339E+02
HC            3862    1.008000    0.040000
 -1.1219E+01 -1.8406E+00  1.0091E+01
 -9.8710E+00 -6.5799E+00 -2.4905E+00
  1.5570E+01  6.9657E+01 -7.9651E+01
HC            3863    1.008000    0.040000
 -1.2284E+01 -5.9996E-01  9.4821E+00
 -1.7283E+01 -9.3817E-01  1.5683E+01
  1.2780E+03  1.2217E+03  3.4296E+02
HC            3864    1.008000    0.040000
 -1.2110E+01 -8.1062E-01  1.1172E+01
 -5.2115E+00 -3.3780E+00 -7.4108E+00
  2.5100E+02  2.1479E+02  1.1491E+02
CT            3865   12.011000    0.145000
 -5.9755E+00 -6.8043E+00 -1.3660E+01
 -7.0389E+00  5.3896E-01  5.3655E-02
  3.2768E+03  3.3962E+03  4.8673E+02
OH            3866    0.000000   -0.683000
 -5.9588E+00 -6.8202E+00 -1.2251E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3867    1.008000    0.418000
 -5.8356E+00 -5.8955E+00 -1.2100E+01
 -8.0532E-01 -3.3516E-01  2.7758E+00
 -2.5954E+03 -1.6591E+02  3.1552E+03
HC            3868    1.008000    0.040000
 -6.6712E+00 -6.1076E+00 -1.4128E+01
  1.7387E+00  1.7276E+00 -1.1697E+01
 -2.5995E+03 -1.6257E+03  2.4954E+03
HC            3869    1.008000    0.040000
 -5.9161E+00 -7.7273E+00 -1.4237E+01
 -1.3577E+00 -4.8103E+00  8.9579E+00
 -2.3717E+03 -1.9240E+03  3.4422E+03
HC            3870    1.008000    0.040000
 -5.0848E+00 -6.3021E+00 -1.4038E+01
  4.7378E+00  3.8329E+00  2.9512E+01
  1.4635E+03 -2.3708E+02  3.6778E+03
CT            3871   12.011000    0.145000
  5.3306E-01  1.8281E+01 -1.8119E+01
  3.3447E+00 -5.7382E+00 -2.4280E+00
 -2.7219E+03  3.6979E+02 -1.7805E+02
OH            3872    0.000000   -0.683000
  1.2418E-01  1.7567E+01 -1.6974E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3873    1.008000    0.418000
 -7.9291E-01  1.7361E+01 -1.7072E+01
 -5.5636E+00  1.7404E+01  1.0905E+01
  6.5801E+02 -9.1100E+02  8.6829E+02
HC            3874    1.008000    0.040000
 -2.1384E-01  1.8711E+01 -1.8787E+01
 -8.7768E+00  7.8522E+00  1.8719E+01
 -3.0090E+03 -7.2030E+02  3.2866E+03
HC            3875    1.008000    0.040000
  1.1048E+00  1.7593E+01 -1.8742E+01
  1.8830E+01 -1.4369E+00  6.4963E+00
  3.7383E+03  2.5652E+03  9.2776E+02
HC            3876    1.008000    0.040000
  9.3793E-01  1.9192E+01 -1.7678E+01
 -6.3019E+00 -2.2567E+00 -5.1566E-01
  4.2664E+03 -1.0451E+03 -2.7721E+03
CT            3877   12.011000    0.145000
 -1.1167E+01  9.0350E+00 -1.3348E+01
  2.1181E+00 -1.4181E+00  1.1125E+00
  5.5510E+03 -3.6838E+03  2.2798E+03
OH            3878    0.000000   -0.683000
 -1.1903E+01  7.8394E+00 -1.3477E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3879    1.008000    0.418000
 -1.1358E+01  7.1546E+00 -1.3833E+01
 -9.4530E+00 -1.1830E+01  7.4736E+00
  3.2686E+03  2.3478E+03  1.9078E+03
HC            3880    1.008000    0.040000
 -1.1689E+01  9.8454E+00 -1.2839E+01
 -6.2609E+00 -7.6643E+00  2.6878E+00
 -1.2495E+03  2.7078E+02 -2.7087E+03
HC            3881    1.008000    0.040000
 -1.0539E+01  9.2352E+00 -1.4216E+01
  2.2745E+01 -9.2088E+00  1.3506E+01
 -3.2569E+03  2.1941E+03 -6.4358E+02
HC            3882    1.008000    0.040000
 -1.0310E+01  8.8505E+00 -1.2700E+01
  9.0722E+00 -1.2724E+01 -1.0817E+01
 -8.2252E+02 -1.5599E+03  1.0042E+03
CT            3883   12.011000    0.145000
 -3.4179E+00  8.8101E+00  3.7063E+00
  1.2117E+00  6.6106E+00 -3.3223E+00
  5.6474E+03  1.6458E+03 -5.1230E+02
OH            3884    0.000000   -0.683000
 -3.2300E+00  8.1485E+00  2.4754E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3885    1.008000    0.418000
 -3.2009E+00  8.8802E+00  1.8780E+00
 -1.6252E+01  1.0857E+01  1.1642E+01
 -3.6852E+03 -1.1080E+03 -8.6517E+02
HC            3886    1.008000    0.040000
 -4.4133E+00  9.2040E+00  3.9114E+00
 -1.1147E+00 -4.1147E-01 -8.2826E-01
 -2.3388E+02 -1.0295E+03 -1.4487E+03
HC            3887    1.008000    0.040000
 -2.7218E+00  9.6429E+00  3.8060E+00
  3.4405E+00  2.9252E+00  1.5706E+01
 -8.0509E+02  7.5373E+02 -1.5113E+03
HC            3888    1.008000    0.040000
 -3.0258E+00  8.2628E+00  4.5635E+00
  2.6293E+00  1.4887E+01  1.4215E+00
 -1.9629E+03 -1.7390E+03 -3.5387E+02
CT            3889   12.011000    0.145000
  1.2371E+01  2.7943E-01 -1.2129E+01
 -2.3978E+00 -3.4506E+00  3.1759E+00
 -3.2688E+03  6.8516E+02  5.5232E+03
OH            3890    0.000000   -0.683000
  1.3554E+01  1.6435E-01 -1.1370E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3891    1.008000    0.418000
  1.4200E+01  7.2839E-01 -1.1767E+01
 -3.7631E+00  8.0498E+00  5.0534E+00
 -3.0451E+02  7.8538E+01 -1.3047E+02
HC            3892    1.008000    0.040000
  1.2026E+01  1.2677E+00 -1.1826E+01
  2.2781E+00 -7.6167E+00  2.3557E+01
 -1.0374E+03 -9.1432E+01 -2.2485E+03
HC            3893    1.008000    0.040000
  1.1630E+01 -4.0758E-01 -1.1721E+01
 -2.9940E+01  8.8164E+00 -2.2336E+01
 -5.5576E+02  5.3262E+02 -2.3092E+03
HC            3894    1.008000    0.040000
  1.2423E+01  1.4866E-01 -1.3210E+01
  3.4200E+00 -3.2911E+00  3.4039E+00
  1.3160E+03 -8.0005E+02  6.4726E+02
CT            3895   12.011000    0.145000
  6.2206E+00  3.4587E+00  1.6274E+01
 -6.1279E+00  3.5245E+00 -7.7077E-01
 -2.4132E+03 -5.6688E+02  5.2895E+03
OH            3896    0.000000   -0.683000
  6.8326E+00  4.6207E+00  1.6787E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3897    1.008000    0.418000
  6.3959E+00  4.8411E+00  1.7595E+01
 -2.5024E+00 -3.2415E+01  8.8923E+00
 -1.3636E+03 -1.8994E+03 -1.3923E+03
HC            3898    1.008000    0.040000
  6.6307E+00  2.5856E+00  1.6781E+01
 -1.7480E+01 -4.8230E+00 -5.5185E+00
  9.5632E+02 -1.4572E+03 -3.2946E+03
HC            3899    1.008000    0.040000
  6.3707E+00  3.4305E+00  1.5194E+01
 -6.2237E-01 -1.2784E+01  1.4469E-01
 -2.2283E+03 -2.2297E+03  4.2227E+02
HC            3900    1.008000    0.040000
  5.1808E+00  3.4838E+00  1.6600E+01
 -1.7067E+01  2.6801E+00 -3.2188E+01
 -9.9843E+02 -1.7512E+02 -3.8573E+03
CT            3901   12.011000    0.145000
 -9.7712E+00  1.4961E+01  5.4396E+00
 -4.6042E+00 -1.9196E+00  1.8383E-01
  9.6683E+02  2.4050E+03  6.8970E+02
OH            3902    0.000000   -0.683000
 -1.0071E+01  1.5575E+01  4.2062E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3903    1.008000    0.418000
 -9.4074E+00  1.6214E+01  3.9939E+00
 -2.3766E+00 -1.5423E+00 -1.2895E+01
 -7.9864E+02  6.3674E+02  3.1555E+02
HC            3904    1.008000    0.040000
 -9.2468E+00  1.5734E+01  6.0014E+00
  2.5261E+00 -1.1123E+01  6.5008E+00
  2.0659E+03 -1.5841E+03  5.6159E+02
HC            3905    1.008000    0.040000
 -9.1399E+00  1.4073E+01  5.4032E+00
  1.5999E+01  1.1730E+01  6.6717E+00
  1.3405E+03  1.7481E+03 -1.4738E+03
HC            3906    1.008000    0.040000
 -1.0597E+01  1.4721E+01  6.1093E+00
 -1.8268E+01  8.1850E+00 -1.2370E+01
 -3.1133E+03  1.2048E+03 -3.6663E+03
CT            3907   12.011000    0.145000
  1.2834E+01 -9.0029E+00 -6.2774E+00
 -4.1365E+00  1.7069E+00 -3.8694E+00
 -4.4741E+03  2.5895E+03  3.6141E+03
OH            3908    0.000000   -0.683000
  1.3431E+01 -7.7273E+00 -6.3440E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3909    1.008000    0.418000
  1.4267E+01 -7.8926E+00 -6.7516E+00
  1.2522E+01  1.2969E+01  1.8772E+01
  3.8183E+02  1.6562E+03  1.3097E+03
HC            3910    1.008000    0.040000
  1.3413E+01 -9.8397E+00 -5.8870E+00
  7.1096E+00  1.8060E+01  1.6585E+01
  3.0551E+03  2.6652E+03 -1.2606E+03
HC            3911    1.008000    0.040000
  1.2181E+01 -9.3180E+00 -7.0911E+00
 -2.2861E+01 -4.8725E+00  1.2878E+01
  1.5553E+03  1.0190E+03 -4.4442E+02
HC            3912    1.008000    0.040000
  1.2116E+01 -8.8470E+00 -5.4721E+00
 -2.9758E+00  8.5631E+00 -4.1014E+00
 -8.4687E+02 -9.6811E+02  4.9065E+00
CT            3913   12.011000    0.145000
 -2.1795E+00 -2.6343E+00  1.2213E+01
  2.8301E+00  3.3244E+00 -4.6918E+00
 -4.3979E+02 -1.8175E+03  8.2342E+01
OH            3914    0.000000   -0.683000
 -3.3805E+00 -2.6659E+00  1.1475E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3915    1.008000    0.418000
 -3.1515E+00 -2.1820E+00  1.0696E+01
 -5.2905E-01  2.2198E+01  1.2792E+01
 -2.8998E+03  1.1042E+03  5.3901E+02
HC            3916    1.008000    0.040000
 -2.1943E+00 -3.3682E+00  1.3019E+01
  1.0760E+01  1.0688E+01  2.3686E+00
  3.0660E+02  1.0831E+03  1.0175E+03
HC            3917    1.008000    0.040000
 -2.1310E+00 -1.6165E+00  1.2601E+01
 -6.1748E+00 -2.8067E+00  1.3730E+01
  3.3350E+03 -9.1696E+02  9.1613E+01
HC            3918    1.008000    0.040000
 -1.4988E+00 -2.9811E+00  1.1436E+01
  1.2231E+01 -2.6870E-01  4.8920E+00
  3.3469E+03  1.8157E+03  2.1591E+03
CT            3919   12.011000    0.145000
 -8.2976E+00  1.6416E+01 -1.8682E+01
  2.0228E+00  5.8254E-01  5.8746E+00
 -1.8898E+03 -3.5015E+03  4.5393E+03
OH            3920    0.000000   -0.683000
 -9.3885E+00  1.7263E+01 -1.8397E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3921    1.008000    0.418000
 -8.9879E+00  1.8095E+01 -1.8599E+01
 -1.2080E-01  2.9844E+00  1.1326E+01
 -8.7368E+02  3.0713E+02  1.6608E+02
HC            3922    1.008000    0.040000
 -8.8004E+00  1.5506E+01 -1.9007E+01
  2.7135E-01  1.1548E-03  1.0142E+01
  2.0432E+03 -1.5132E+03  5.2870E+02
HC            3923    1.008000    0.040000
 -7.7810E+00  1.6252E+01 -1.7736E+01
  4.4003E+00 -2.7040E+01  6.2405E-01
 -4.6484E+02 -2.1699E+03 -4.0128E+02
HC            3924    1.008000    0.040000
 -7.4734E+00  1.6669E+01 -1.9349E+01
  2.3926E+00  9.3401E+00  9.5143E+00
 -2.8684E+03  2.7482E+03 -1.7242E+03
CT            3925   12.011000    0.145000
  1.7102E+01  5.9647E+00  1.3377E+01
 -3.4090E+00 -6.1432E+00  2.1237E-01
  5.0312E+02 -1.0383E+03  1.0777E+03
OH            3926    0.000000   -0.683000
  1.8214E+01  5.3347E+00  1.2784E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3927    1.008000    0.418000
  1.7815E+01  4.6741E+00  1.2238E+01
  2.1424E+01 -8.0028E+00 -7.0465E+00
  5.1481E+03 -3.2262E+03  3.5111E+02
HC            3928    1.008000    0.040000
  1.6200E+01  6.0102E+00  1.2766E+01
 -1.2277E+01 -2.3099E+01  1.1226E+01
  1.4059E+03  1.8261E+02 -9.0589E+02
HC            3929    1.008000    0.040000
  1.7402E+01  6.9688E+00  1.3677E+01
  1.0905E+01 -6.8774E+00 -1.0599E+01
 -4.6710E+02 -7.5127E+02  1.4402E+03
HC            3930    1.008000    0.040000
  1.6791E+01  5.3269E+00  1.4205E+01
  5.9110E-02 -9.8381E+00 -1.3010E+00
  3.2154E+02  1.3714E+03  1.2470E+03
CT            3931   12.011000    0.145000
  1.0993E+01  1.9467E+01 -1.6136E+01
 -4.0649E+00 -1.5611E+00  3.0182E+00
  9.2119E+02  2.3988E+03  3.2572E+02
OH            3932    0.000000   -0.683000
  1.0097E+01  2.0085E+01 -1.7033E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3933    1.008000    0.418000
  9.1954E+00  1.9950E+01 -1.6782E+01
  1.5159E+00 -1.2934E+01 -8.2569E-01
  1.0427E+03 -1.3595E+03  2.5343E+03
HC            3934    1.008000    0.040000
  1.0943E+01  1.9812E+01 -1.5104E+01
  4.1132E-01 -1.9072E+00  3.3675E+00
 -2.5829E+03 -1.4855E+03  3.8087E+02
HC            3935    1.008000    0.040000
  1.1949E+01  1.9894E+01 -1.6438E+01
 -6.5779E+00 -4.0728E+00 -9.0521E+00
  1.1756E+03 -3.2269E+03 -9.5224E+02
HC            3936    1.008000    0.040000
  1.0973E+01  1.8381E+01 -1.6218E+01
  1.7346E+01 -3.6835E+00  1.7692E+01
  1.3407E+03  5.6099E+02  1.2272E+03
CT            3937   12.011000    0.145000
 -1.5820E+01 -1.7248E+01  1.2154E+01
 -3.8398E+00  1.7359E+00  3.2270E+00
 -3.5624E+03 -6.5755E+03  1.4328E+02
OH            3938    0.000000   -0.683000
 -1.5071E+01 -1.7680E+01  1.3268E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3939    1.008000    0.418000
 -1.4546E+01 -1.6907E+01  1.3410E+01
  1.0862E+01 -7.0479E+00 -6.3650E-01
  1.8159E+03 -2.0674E+03  3.9184E+03
HC            3940    1.008000    0.040000
 -1.5307E+01 -1.7379E+01  1.1201E+01
  9.5950E-01  4.6362E+00  5.3751E+00
  1.2217E+03  9.4994E+02  6.1867E+02
HC            3941    1.008000    0.040000
 -1.6237E+01 -1.6242E+01  1.2191E+01
  8.5947E+00  7.5905E+00 -7.3011E+00
  2.7334E+03  4.6608E+02  1.1698E+03
HC            3942    1.008000    0.040000
 -1.6631E+01 -1.7973E+01  1.2088E+01
  1.4559E+01 -1.8964E+01 -9.3949E+00
  2.3523E+01  4.7668E+02 -6.0038E+02
CT            3943   12.011000    0.145000
 -4.3948E+00 -2.3742E+00  4.7124E+00
  5.3968E+00  3.7741E+00 -2.3670E-01
  2.6900E+01  1.5748E+03  2.5682E+03
OH            3944    0.000000   -0.683000
 -5.1778E+00 -1.2949E+00  4.2539E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3945    1.008000    0.418000
 -4.6582E+00 -5.0854E-01  4.3226E+00
  9.8052E+00 -6.1571E+00 -1.6750E+00
  2.6436E+03 -1.7420E+03 -1.9552E+02
HC            3946    1.008000    0.040000
 -4.7763E+00 -3.2931E+00  4.2671E+00
 -1.4358E+01  5.3249E+00  1.2255E+01
  1.8265E+03  3.2904E+02 -1.3577E+02
HC            3947    1.008000    0.040000
 -4.5157E+00 -2.5111E+00  5.7870E+00
  4.7904E+00 -1.2846E+01 -2.1617E+00
 -3.4676E+02 -7.1017E+01 -9.7400E+01
HC            3948    1.008000    0.040000
 -3.3528E+00 -2.0878E+00  4.5700E+00
 -1.2424E-01  2.4648E+01 -1.9499E+00
 -2.4099E+02 -2.1158E+03 -1.4557E+03
CT            3949   12.011000    0.145000
 -7.5898E+00  6.8273E+00  2.7311E+00
 -2.4978E+00 -1.3090E+00 -1.5216E+00
  1.4192E+03 -5.7367E+03 -1.8523E+03
OH            3950    0.000000   -0.683000
 -7.1008E+00  7.3259E+00  1.5062E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3951    1.008000    0.418000
 -6.9567E+00  6.5693E+00  9.5863E-01
 -2.1085E+00 -8.1580E+00  1.0390E+01
 -1.3313E+03  1.1217E+02 -1.7044E+02
HC            3952    1.008000    0.040000
 -8.3310E+00  6.1162E+00  2.3663E+00
 -5.7505E+00  8.6808E+00 -1.5204E+01
 -3.5327E+03  2.5298E+03  2.2750E+03
HC            3953    1.008000    0.040000
 -7.9642E+00  7.5435E+00  3.4625E+00
 -2.5196E+01  6.4944E-01 -1.4129E+01
 -1.1959E+03 -1.6483E+02 -1.8046E+03
HC            3954    1.008000    0.040000
 -6.9816E+00  6.1106E+00  3.2829E+00
 -1.7908E+01 -3.5540E+00  1.3391E+01
  2.0947E+03  1.4156E+03 -1.1025E+03
CT            3955   12.011000    0.145000
  1.2093E+01  1.2833E+01 -1.3429E+01
 -5.0748E-01  1.9698E+00  5.2338E+00
  2.3956E+02  1.8930E+02  5.4379E+02
OH            3956    0.000000   -0.683000
  1.3325E+01  1.2235E+01 -1.3090E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3957    1.008000    0.418000
  1.3576E+01  1.1861E+01 -1.3921E+01
 -2.6197E+01  1.8625E+01 -1.7954E+01
 -2.5788E+03 -1.6223E+03  1.5794E+03
HC            3958    1.008000    0.040000
  1.2040E+01  1.3241E+01 -1.4438E+01
 -7.1947E+00  3.6762E+00  6.2283E+00
  1.8818E+03 -2.0392E+03 -7.5281E+02
HC            3959    1.008000    0.040000
  1.1760E+01  1.3747E+01 -1.2938E+01
 -8.2552E+00  9.7208E+00 -1.3503E+01
  2.6911E+03 -1.3910E+03  2.7713E+03
HC            3960    1.008000    0.040000
  1.1245E+01  1.2150E+01 -1.3375E+01
 -2.5173E-01 -1.5321E+00 -2.1722E+01
  1.5046E+03 -8.5281E+02 -3.9363E+02
CT            3961   12.011000    0.145000
 -1.9930E+01  1.1450E+00  4.2714E+00
  4.3714E+00  4.8933E-01 -2.2773E+00
  6.6292E+03  6.4936E+02 -1.2856E+03
OH            3962    0.000000   -0.683000
 -2.0010E+01  2.5439E+00  4.4282E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3963    1.008000    0.418000
 -2.0237E+01  2.6234E+00  5.3422E+00
  1.0851E+01 -9.9583E+00  3.8077E+00
  3.6585E+03  1.6893E+03  5.7842E+02
HC            3964    1.008000    0.040000
  2.0050E+01  6.3794E-01  4.5617E+00
 -3.5738E+00  9.9693E+00 -1.0161E+01
  5.9528E+01  2.2106E+02 -1.8920E+03
HC            3965    1.008000    0.040000
 -1.9074E+01  6.5168E-01  4.7327E+00
  1.7732E+01  2.2483E+00 -2.3775E+01
 -1.7836E+03  3.1287E+03  4.8043E+03
HC            3966    1.008000    0.040000
 -1.9425E+01  8.1746E-01  3.3627E+00
  2.1485E+01  1.4900E+01  1.4753E+00
 -4.8324E+03  2.4188E+03 -2.9875E+03
CT            3967   12.011000    0.145000
  6.9939E+00  1.8241E-01 -8.3642E+00
 -1.2543E+00  6.9704E+00  8.1925E-01
 -1.2216E+03 -5.0389E+03  8.0572E+02
OH            3968    0.000000   -0.683000
  7.5187E+00  1.1595E-01 -7.0572E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3969    1.008000    0.418000
  7.6368E+00 -7.7637E-01 -6.7694E+00
 -7.6393E-01  4.3783E+00  1.4709E+01
  2.4662E+03  9.3132E+02  1.2831E+03
HC            3970    1.008000    0.040000
  7.7973E+00 -2.1162E-01 -8.9866E+00
 -6.9368E+00  4.6950E+00 -5.1942E+00
 -4.2659E+02  2.9218E+03 -2.3508E+03
HC            3971    1.008000    0.040000
  6.5778E+00  1.1695E+00 -8.5659E+00
 -1.2189E+01  2.5264E+00  9.3875E-01
  1.6285E+03 -3.4733E+02 -1.9793E+03
HC            3972    1.008000    0.040000
  6.2142E+00 -5.6707E-01 -8.5001E+00
  1.4237E+01 -7.7748E+00 -1.1163E+01
 -2.9509E+02  6.4183E+02  4.6750E+02
CT            3973   12.011000    0.145000
  1.1842E+01  1.8374E+01  8.2187E+00
 -4.4218E+00 -2.1526E+00 -1.1192E-01
 -2.4664E+03 -2.1879E+03 -6.0968E+02
OH            3974    0.000000   -0.683000
  1.2228E+01  1.7536E+01  9.2851E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3975    1.008000    0.418000
  1.1477E+01  1.6995E+01  9.4781E+00
 -4.2321E+00 -4.1624E+00 -2.4763E+01
 -7.7408E+02  1.5240E+03 -1.4823E+03
HC            3976    1.008000    0.040000
  1.1074E+01  1.9090E+01  8.5117E+00
 -1.6995E+01 -1.0696E+01 -1.0991E+01
  6.9643E+02  1.9519E+02 -2.1505E+01
HC            3977    1.008000    0.040000
  1.1355E+01  1.7691E+01  7.5218E+00
  5.3551E+00  7.7333E+00 -1.7320E+01
  4.4366E+02  1.6321E+03 -1.8750E+03
HC            3978    1.008000    0.040000
  1.2693E+01  1.8869E+01  7.7521E+00
  5.6535E+00  4.3566E+00  2.3661E+01
 -4.6350E+02 -3.9187E+02  6.7875E+02
CT            3979   12.011000    0.145000
  1.6405E+01  4.0248E-01  8.0743E+00
 -3.5514E+00  6.4617E+00  4.9674E+00
 -1.8432E+03 -1.5853E+03 -1.6615E+03
OH            3980    0.000000   -0.683000
  1.5900E+01 -5.6972E-01  8.9617E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3981    1.008000    0.418000
  1.5130E+01 -1.0119E+00  8.6389E+00
  7.9618E+00 -2.4298E+01  1.1830E+01
  1.6665E+03 -8.2219E+02 -6.6354E+02
HC            3982    1.008000    0.040000
  1.6750E+01 -4.6963E-02  7.1431E+00
 -1.7925E+01  1.4741E+01 -4.7476E+00
  3.7220E+02 -1.4189E+01  4.5258E+02
HC            3983    1.008000    0.040000
  1.7227E+01  8.7044E-01  8.6165E+00
  2.4263E-01  1.4330E+01 -7.1614E+00
 -8.8079E+02  2.6076E+03 -1.5884E+03
HC            3984    1.008000    0.040000
  1.5548E+01  1.0356E+00  7.8448E+00
 -1.2084E+01  5.1304E+00  3.0088E+01
  1.9515E+03  1.9493E+03  8.5037E+02
CT            3985   12.011000    0.145000
 -6.9315E+00  5.3317E+00 -7.2355E+00
 -1.9890E+00 -2.2108E+00  3.1806E+00
  1.4627E+02 -2.3464E+03  2.0577E+03
OH            3986    0.000000   -0.683000
 -6.2813E+00  6.1352E+00 -6.2764E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3987    1.008000    0.418000
 -5.5294E+00  6.5168E+00 -6.7032E+00
  7.2537E+00 -1.4086E+01 -4.0542E-01
 -1.1587E+03 -6.1045E+02 -1.9777E+03
HC            3988    1.008000    0.040000
 -7.9518E+00  5.0566E+00 -6.9685E+00
 -6.6766E+00  1.1842E+01  5.9217E-01
  4.2842E+02  3.4866E+02  1.4896E+03
HC            3989    1.008000    0.040000
 -6.3888E+00  4.3887E+00 -7.3017E+00
 -9.1019E+00 -7.6204E+00  1.7593E+01
  6.8718E+02  9.2488E+02 -2.5731E+03
HC            3990    1.008000    0.040000
 -7.0321E+00  5.8949E+00 -8.1633E+00
  2.1696E+00  1.0149E+01  9.9991E+00
  5.2081E+03  1.4571E+03  7.1537E+02
CT            3991   12.011000    0.145000
  1.4625E+01 -3.7207E+00 -1.8237E+01
 -1.5326E-01 -4.6316E+00  5.6359E+00
 -7.8785E+02 -3.2579E+02  1.9865E+03
OH            3992    0.000000   -0.683000
  1.5404E+01 -2.8185E+00 -1.7484E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3993    1.008000    0.418000
  1.4915E+01 -2.4891E+00 -1.6746E+01
  9.3284E+00 -2.4225E+00  7.4668E+00
 -2.7130E+02 -1.6894E+03  3.8723E+02
HC            3994    1.008000    0.040000
  1.3816E+01 -3.1892E+00 -1.8738E+01
  1.3260E+00 -5.8635E+00  1.8997E+00
  1.3808E+03  2.3180E+02 -1.9134E+03
HC            3995    1.008000    0.040000
  1.4059E+01 -4.4996E+00 -1.7727E+01
 -1.7146E+01 -1.1474E+00 -6.9961E+00
  1.6178E+03  8.7557E+02  2.0852E+03
HC            3996    1.008000    0.040000
  1.5303E+01 -4.2476E+00 -1.8910E+01
 -4.2643E+00 -1.6207E+00 -9.6643E-01
 -1.3929E+03  9.3805E+02 -1.9327E+03
CT            3997   12.011000    0.145000
 -7.6435E-02  6.3297E+00  2.6118E+00
 -6.6115E-01 -1.0008E+00 -9.5797E-01
 -4.9213E+02 -2.3750E+02 -4.2939E+01
OH            3998    0.000000   -0.683000
 -5.7917E-01  7.3997E+00  1.8434E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3999    1.008000    0.418000
 -1.4993E+00  7.5590E+00  1.9884E+00
  4.7071E+00  4.8594E+00  3.1819E+01
  1.0640E+03 -1.3187E+03  4.2525E+03
HC            4000    1.008000    0.040000
  2.0080E-01  7.0044E+00  3.4218E+00
 -1.3918E+01  7.5321E+00 -3.2150E+00
  5.0369E+02 -5.2210E+03  3.4376E+03
HC            4001    1.008000    0.040000
  7.1042E-01  5.8742E+00  2.0106E+00
 -6.5668E+00 -2.1681E+01  6.1272E+00
  1.1387E+03 -2.9600E+02  2.5245E+03
HC            4002    1.008000    0.040000
 -7.8945E-01  5.5452E+00  2.8656E+00
  1.6730E+00 -2.2054E+00  1.9372E+00
 -4.7662E+02  6.6430E+02  8.2605E+02
CT            4003   12.011000    0.145000
 -1.8580E+01  1.5545E+01  8.8742E+00
 -1.8051E+00 -1.3093E+00 -5.1281E-01
  2.0888E+02  4.6697E+02 -1.4531E+03
OH            4004    0.000000   -0.683000
 -1.7716E+01  1.4463E+01  8.6063E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4005    1.008000    0.418000
 -1.7432E+01  1.4543E+01  7.7086E+00
  3.5407E+00 -5.0308E+00  6.2996E-01
  5.4690E+02 -5.5076E+02  1.4678E+02
HC            4006    1.008000    0.040000
 -1.9562E+01  1.5297E+01  8.4722E+00
  1.5396E+00  1.8047E+01 -2.2828E+01
  7.8721E+01  2.2511E+03  2.6120E+02
HC            4007    1.008000    0.040000
 -1.8056E+01  1.6309E+01  8.3002E+00
  9.7477E+00 -1.0024E+00  1.0012E+01
 -2.5873E+03  2.1485E+03  9.1019E+02
HC            4008    1.008000    0.040000
 -1.8500E+01  1.5752E+01  9.9414E+00
  1.4342E+01  7.4977E+00 -3.1022E+00
 -1.1468E+03  1.2243E+03 -6.2370E+02
CT            4009   12.011000    0.145000
 -7.8891E+00  1.8935E+01 -1.4055E+01
 -1.4589E+00 -3.0716E+00 -7.7442E-01
 -4.7608E+03 -5.1569E+03 -2.5648E+02
OH            4010    0.000000   -0.683000
 -7.3828E+00  1.8395E+01 -1.2854E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4011    1.008000    0.418000
 -7.6468E+00  1.7491E+01 -1.2780E+01
 -3.4779E+00 -1.5938E+00 -2.3842E+01
  5.8806E+02 -6.0144E+02 -6.2353E+03
HC            4012    1.008000    0.040000
 -7.5431E+00  1.8413E+01 -1.4947E+01
  2.0598E+00 -4.0774E+00  1.1583E+00
  9.5078E+02 -1.9879E+02  3.6571E+02
HC            4013    1.008000    0.040000
 -7.8711E+00  1.9988E+01 -1.4334E+01
 -8.6943E-01 -5.0657E+00 -8.4788E+00
  1.9220E+03  3.3581E+02  3.8285E+03
HC            4014    1.008000    0.040000
 -8.9456E+00  1.8669E+01 -1.4018E+01
 -3.6232E+00  4.0775E+00 -8.2280E+00
 -7.6894E+02  1.1402E+03 -6.5093E+02
CT            4015   12.011000    0.145000
  1.8601E+01 -1.0811E+01 -9.2586E+00
 -5.3676E-01  2.2796E-01 -7.6389E-01
  1.5703E+03 -7.7876E+03  4.2847E+03
OH            4016    0.000000   -0.683000
  1.7499E+01 -1.0574E+01 -8.4119E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4017    1.008000    0.418000
  1.7524E+01 -1.1130E+01 -7.6481E+00
 -2.7846E+01  2.5402E+00  3.7803E+00
 -1.6525E+03  1.3791E+03  2.5856E+02
HC            4018    1.008000    0.040000
  1.8893E+01 -1.0093E+01 -1.0025E+01
 -3.2377E+01  2.0816E+01  4.5191E+00
 -3.6596E+03  4.3406E+02  1.1391E+03
HC            4019    1.008000    0.040000
  1.8399E+01 -1.1826E+01 -9.6008E+00
 -4.3015E+00 -2.7150E-01  2.8608E+00
 -2.0619E+02  8.9510E+02 -3.6785E+03
HC            4020    1.008000    0.040000
  1.9486E+01 -1.1046E+01 -8.6660E+00
  4.1133E+00  2.2876E+01  2.1806E+00
  1.9287E+02  2.3916E+03  9.9790E+02
CT            4021   12.011000    0.145000
 -4.8705E+00 -7.8643E+00 -1.8407E+01
  2.6128E+00 -1.9379E+00 -1.2885E+00
  9.3483E+00 -7.4361E+02  4.5126E+03
OH            4022    0.000000   -0.683000
 -3.9771E+00 -6.7941E+00 -1.8196E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4023    1.008000    0.418000
 -3.8487E+00 -6.6759E+00 -1.9124E+01
  8.5487E+00 -1.9691E+01 -1.8264E+00
  4.6457E+03  6.1261E+03  2.4324E+03
HC            4024    1.008000    0.040000
 -5.4988E+00 -8.0854E+00 -1.7545E+01
  8.6000E+00  2.9830E+01  1.2650E+01
  1.5135E+03  2.5053E+03  1.1383E+03
HC            4025    1.008000    0.040000
 -4.3245E+00 -8.7904E+00 -1.8587E+01
 -1.7908E+00 -2.7792E+00 -1.0968E+01
  4.7793E+02  6.5897E+02 -1.5588E+03
HC            4026    1.008000    0.040000
 -5.5533E+00 -7.6609E+00 -1.9232E+01
  1.8445E+01  3.9389E+01 -6.6141E+00
  2.3984E+03  1.1067E+03  7.1744E+02
CT            4027   12.011000    0.145000
 -9.5455E+00 -1.9462E+01 -1.6605E+01
 -1.9239E-01 -1.5509E+00 -7.7898E-01
  1.7625E+03 -2.7645E+03  1.1553E+03
OH            4028    0.000000   -0.683000
 -1.0599E+01 -1.9773E+01 -1.5721E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4029    1.008000    0.418000
 -1.1082E+01  2.0397E+01 -1.6077E+01
  1.3607E+01 -2.7595E+01  3.2456E+01
  2.4004E+03  2.3311E+03 -1.4252E+03
HC            4030    1.008000    0.040000
 -8.9775E+00 -1.8634E+01 -1.6181E+01
 -9.0501E+00  5.4845E+00 -2.3435E+00
 -7.7487E+02  1.3218E+03 -1.8334E+03
HC            4031    1.008000    0.040000
 -9.9554E+00 -1.9302E+01 -1.7602E+01
  8.2370E+00  2.9419E+00 -3.6211E+00
  1.6023E+03  2.0418E+03 -1.1282E+02
HC            4032    1.008000    0.040000
 -8.8975E+00 -2.0337E+01 -1.6650E+01
 -2.0541E+01 -1.7370E+01 -8.5301E-01
 -6.2573E+02 -4.5372E+01 -8.7042E+02
CT            4033   12.011000    0.145000
 -7.8217E+00 -8.1906E-01  1.2497E+01
 -4.8241E+00 -4.9276E+00 -6.1160E+00
 -6.9693E+03 -2.5470E+03 -3.6402E+03
OH            4034    0.000000   -0.683000
 -7.9120E+00  3.1702E-01  1.1667E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4035    1.008000    0.418000
 -8.7126E+00  2.5505E-01  1.1169E+01
 -2.7286E+00  3.4878E+01 -2.4230E+00
  5.6155E+02  1.1947E+03  1.1487E+03
HC            4036    1.008000    0.040000
 -8.7058E+00 -7.5152E-01  1.3131E+01
  1.1178E+01  1.6094E+00  1.6808E+01
  2.5450E+03 -2.3690E+02  3.5473E+03
HC            4037    1.008000    0.040000
 -6.8986E+00 -1.0609E+00  1.3024E+01
 -2.1396E+00  5.6780E+00 -5.7243E+00
 -3.0447E+02  2.9297E+03  6.3755E+02
HC            4038    1.008000    0.040000
 -8.0292E+00 -1.6995E+00  1.1889E+01
  2.0160E+01 -8.6159E+00 -1.0383E+01
  1.8743E+03 -1.1093E+02 -5.9632E+02
CT            4039   12.011000    0.145000
  8.6454E+00 -6.7802E-01  1.7553E+01
  9.5570E-01  1.2421E+00 -2.6261E+00
  1.6453E+02  1.2156E+03 -1.2884E+03
OH            4040    0.000000   -0.683000
  9.6696E+00 -3.1843E-03  1.8249E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4041    1.008000    0.418000
  9.1339E+00  6.9547E-01  1.8592E+01
 -2.3079E+01 -2.4319E+01  1.7659E+01
  4.0788E+03  9.4744E+02 -1.5840E+03
HC            4042    1.008000    0.040000
  9.0818E+00 -1.6205E+00  1.7223E+01
  1.0791E+01  8.6457E+00 -1.1441E+01
 -3.4663E+03 -1.0461E+03 -1.3532E+02
HC            4043    1.008000    0.040000
  8.3171E+00 -2.0396E-01  1.6628E+01
  7.0462E+00  1.6202E+01  2.5683E+00
  4.5234E+02  2.2241E+03  9.7688E+02
HC            4044    1.008000    0.040000
  7.7841E+00 -7.2720E-01  1.8220E+01
 -1.5014E+01 -1.8151E+01 -2.3124E+01
 -1.2554E+02 -2.9442E+03 -1.5875E+03
CT            4045   12.011000    0.145000
  1.8102E+01  1.8748E+01  1.9426E+01
  4.7333E+00 -4.2480E+00 -4.0833E+00
  5.1018E+02  3.2912E+03 -1.5745E+03
OH            4046    0.000000   -0.683000
  1.7120E+01  1.8635E+01  1.8420E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4047    1.008000    0.418000
  1.7445E+01  1.7976E+01  1.7826E+01
  1.0655E+01  1.4742E+01 -1.1269E+01
  1.2177E+03  2.2947E+03 -1.4981E+03
HC            4048    1.008000    0.040000
  1.7968E+01  1.9645E+01  2.0031E+01
 -3.5627E+01 -9.3453E+00 -2.7242E+00
 -2.3261E+03 -3.8353E+02 -1.8275E+03
HC            4049    1.008000    0.040000
  1.9073E+01  1.8881E+01  1.8948E+01
 -4.5154E+00  1.2587E+01 -1.9485E+01
 -4.1747E+02 -1.4868E+03 -3.7854E+01
HC            4050    1.008000    0.040000
  1.8110E+01  1.7952E+01  2.0170E+01
  9.5755E+00 -4.4343E+00 -4.3053E+00
 -4.8681E+02 -1.1773E+03 -1.7381E+03
CT            4051   12.011000    0.145000
 -1.5543E+01 -8.1128E+00  1.7151E+01
  1.6283E+00 -3.5017E+00 -2.6697E+00
  5.2375E+03  1.5399E+03  6.4790E+03
OH            4052    0.000000   -0.683000
 -1.6217E+01 -9.0432E+00  1.7969E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4053    1.008000    0.418000
 -1.7096E+01 -8.9720E+00  1.7628E+01
  2.4159E+00 -1.3288E+01 -9.8306E+00
 -8.3030E+02 -5.7061E+03  1.2546E+03
HC            4054    1.008000    0.040000
 -1.4480E+01 -8.1645E+00  1.7384E+01
  6.0044E+00 -9.1193E-01 -2.0588E+01
  1.1534E+03 -2.2978E+03 -3.7095E+03
HC            4055    1.008000    0.040000
 -1.5764E+01 -7.1413E+00  1.7594E+01
 -3.1967E+01 -3.8649E+00 -1.5698E+01
 -3.5888E+03  1.1200E+03 -4.9465E+03
HC            4056    1.008000    0.040000
 -1.5796E+01 -8.2875E+00  1.6106E+01
  3.0467E-01  1.2753E+01 -5.3254E+00
  1.3117E+03  3.2978E+03 -1.1144E+02
CT            4057   12.011000    0.145000
 -2.0201E+01  1.5145E+01  4.6728E+00
 -1.4698E+00 -6.9723E-01  2.5316E+00
  2.4852E+03  2.2354E+03 -2.7161E+02
OH            4058    0.000000   -0.683000
  1.9786E+01  1.6190E+01  4.4268E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4059    1.008000    0.418000
  1.8977E+01  1.5866E+01  4.7919E+00
  2.8389E+00  3.0522E-01  6.7077E+00
 -5.2259E+02  2.5115E+03  9.4953E+02
HC            4060    1.008000    0.040000
 -1.9602E+01  1.5034E+01  3.7683E+00
 -1.2530E+01 -3.8148E-01 -5.0216E+00
  1.7272E+02  9.5699E+01  1.6960E+02
HC            4061    1.008000    0.040000
  2.0277E+01  1.4165E+01  4.8974E+00
 -4.2859E+01  1.1666E+01 -1.2107E+01
 -3.9228E+03  3.0857E+03 -8.2473E+02
HC            4062    1.008000    0.040000
 -1.9478E+01  1.5307E+01  5.4722E+00
  1.2493E+01 -1.6397E+01 -6.2641E+00
 -8.9868E+02  2.0517E+03 -2.7774E+02
CT            4063   12.011000    0.145000
 -9.8543E+00 -7.4294E+00 -6.9047E+00
 -5.2629E+00 -2.2184E+00 -8.4638E-01
 -1.3541E+03  6.2897E+03  1.8022E+03
OH            4064    0.000000   -0.683000
 -9.8266E+00 -6.9714E+00 -8.2379E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4065    1.008000    0.418000
 -9.4816E+00 -7.7308E+00 -8.6821E+00
 -7.4134E+00 -1.5395E+01  1.9084E+01
 -5.6993E+02 -6.0413E+02  1.6833E+03
HC            4066    1.008000    0.040000
 -8.9784E+00 -8.0080E+00 -6.6111E+00
 -3.7028E+00 -6.2621E+00 -1.2914E+01
 -6.3938E+02 -2.5015E+03 -4.1432E+03
HC            4067    1.008000    0.040000
 -1.0810E+01 -7.9059E+00 -6.6868E+00
 -1.4774E+01  9.6591E+00 -1.4663E+01
  1.1371E+03 -6.9294E+02  4.3053E+02
HC            4068    1.008000    0.040000
 -9.7339E+00 -6.5868E+00 -6.2239E+00
 -2.3620E+00 -1.0192E+01  8.7514E+00
 -1.9767E+03  8.0806E+02 -1.8346E+02
CT            4069   12.011000    0.145000
 -1.8668E+01  1.4769E+01  1.7025E+01
  1.6192E+00 -3.1545E-01 -2.0050E+00
 -3.5393E+01 -2.3913E+03  1.1812E+03
OH            4070    0.000000   -0.683000
 -1.9749E+01  1.4351E+01  1.6221E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4071    1.008000    0.418000
 -1.9672E+01  1.4848E+01  1.5421E+01
  1.2384E+01  5.0778E+00  4.1028E+00
  1.9396E+03 -8.7904E+02 -1.9489E+02
HC            4072    1.008000    0.040000
 -1.8678E+01  1.4221E+01  1.7966E+01
 -2.8874E+00  2.1981E+01  1.1684E+01
 -3.0096E+03  3.2164E+03  1.7294E+03
HC            4073    1.008000    0.040000
 -1.8792E+01  1.5852E+01  1.7051E+01
  1.4796E-01  1.7357E-01 -1.8429E+01
  1.7830E+03 -5.5899E+02  3.3103E+03
HC            4074    1.008000    0.040000
 -1.7645E+01  1.4553E+01  1.6717E+01
 -3.7102E+00  1.9575E+01 -3.9619E+01
 -1.9996E+03  2.6430E+03 -6.0734E+03
CT            4075   12.011000    0.145000
 -5.3049E-01 -1.8962E+01 -1.7464E+01
 -3.8168E+00  4.2013E+00  1.6536E+00
 -7.6609E+02  6.1213E+02 -4.9476E+02
OH            4076    0.000000   -0.683000
 -1.6011E+00 -1.9846E+01 -1.7711E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4077    1.008000    0.418000
 -2.1262E+00 -2.0113E+01 -1.6972E+01
  6.6647E+00  2.2179E+01  1.3716E+01
  3.1727E+03  2.1306E+03  2.5369E+03
HC            4078    1.008000    0.040000
 -8.2182E-01 -1.7972E+01 -1.7814E+01
  7.1739E+00  7.8341E+00  2.4005E+00
  3.1047E+02  8.2822E+02  2.1666E+03
HC            4079    1.008000    0.040000
  2.5183E-01 -1.9229E+01 -1.8175E+01
 -1.8846E+01  2.3807E+00 -1.4916E+01
 -8.4693E+01 -1.6686E+02  8.0962E+02
HC            4080    1.008000    0.040000
 -1.8113E-01 -1.8931E+01 -1.6432E+01
 -2.8842E+01  8.6799E+00  1.0695E+01
 -1.3246E+03 -3.0574E+02 -2.0814E+02
CT            4081   12.011000    0.145000
 -5.2343E+00  1.6620E+01 -4.6066E+00
 -3.8508E+00  1.7835E+00  4.4749E-01
  4.7365E+03 -2.7135E+03  5.6555E+02
OH            4082    0.000000   -0.683000
 -4.6580E+00  1.7666E+01 -3.8571E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4083    1.008000    0.418000
 -4.2568E+00  1.7337E+01 -3.0675E+00
  3.2136E-01  1.1730E+01  4.9373E+00
  1.6821E+03 -3.5730E+03 -2.8945E+03
HC            4084    1.008000    0.040000
 -6.0129E+00  1.6910E+01 -5.3123E+00
  5.2695E+00  1.2358E+01 -5.6037E+00
  1.1084E+03  4.9717E+02 -1.9401E+02
HC            4085    1.008000    0.040000
 -5.5463E+00  1.5826E+01 -3.9288E+00
 -1.3846E+01  2.2000E+00 -3.4945E+00
 -1.6541E+03 -4.8897E+01 -7.3376E+02
HC            4086    1.008000    0.040000
 -4.4315E+00  1.6205E+01 -5.2160E+00
 -1.4923E+01 -7.1505E+00 -8.5208E+00
 -6.0322E+02 -8.3900E+02 -5.2357E+02
CT            4087   12.011000    0.145000
 -5.0129E+00 -5.8596E+00  1.1146E+01
  2.3767E+00 -3.8683E+00 -2.1628E+00
  2.9165E+03 -3.5616E+02  2.6576E+03
OH            4088    0.000000   -0.683000
 -4.1761E+00 -4.9554E+00  1.0461E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4089    1.008000    0.418000
 -3.8750E+00 -4.2489E+00  1.1011E+01
 -1.2050E+01 -3.9128E+00  1.2169E+01
 -2.9708E+03  1.4667E+02  1.1961E+03
HC            4090    1.008000    0.040000
 -4.5025E+00 -6.4082E+00  1.1938E+01
  2.0256E+01 -1.0334E+01 -1.7422E+01
  1.5468E+03  8.6623E+02 -6.0767E+02
HC            4091    1.008000    0.040000
 -5.2217E+00 -6.6120E+00  1.0386E+01
  3.4984E+00  2.3217E-01 -6.5777E+00
 -3.7361E+03  1.8090E+02  1.2438E+03
HC            4092    1.008000    0.040000
 -5.8467E+00 -5.3411E+00  1.1620E+01
  1.3656E+00 -1.9742E+00 -5.9775E+00
 -1.6031E+03 -7.0146E+02 -2.2936E+03
CT            4093   12.011000    0.145000
 -1.5318E+01 -4.5464E+00 -4.4144E+00
  2.9108E+00 -1.3737E+00 -3.9277E+00
 -9.4206E+02 -6.2699E+03  4.1842E+03
OH            4094    0.000000   -0.683000
 -1.6473E+01 -4.9119E+00 -5.1359E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4095    1.008000    0.418000
 -1.7159E+01 -5.1662E+00 -4.5376E+00
 -5.0088E-01  2.7730E+01  1.2768E+01
  4.2817E+03 -5.9390E+02  3.1345E+03
HC            4096    1.008000    0.040000
 -1.4394E+01 -4.2345E+00 -4.9008E+00
  8.5362E+00 -3.3229E+00  5.2653E+00
 -2.4074E+03 -1.7077E+02 -3.1463E+03
HC            4097    1.008000    0.040000
 -1.5095E+01 -5.5062E+00 -3.9486E+00
 -3.0835E+01 -4.1392E+00  9.3647E+00
  6.6791E+02  1.2718E+03  5.8770E+02
HC            4098    1.008000    0.040000
 -1.5467E+01 -3.8906E+00 -3.5565E+00
  6.3874E+00 -1.2933E+01  5.7901E+00
 -1.8898E+03  4.2482E+01 -8.0298E+02
CT            4099   12.011000    0.145000
 -5.4690E+00 -1.4938E+01  1.7950E+01
 -4.8193E+00  1.2167E+00  5.4280E+00
 -8.3044E+02 -5.4255E+02 -5.0591E+02
OH            4100    0.000000   -0.683000
 -5.5075E+00 -1.6322E+01  1.8216E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4101    1.008000    0.418000
 -6.2995E+00 -1.6557E+01  1.8675E+01
 -5.1356E+00  2.7659E+01  7.1238E+00
 -1.9445E+02  3.8159E+03  6.7300E+02
HC            4102    1.008000    0.040000
 -5.5175E+00 -1.4541E+01  1.8964E+01
 -1.2055E+01  1.0449E+01  1.6151E+00
 -1.2528E+03  4.5061E+03 -1.8563E+03
HC            4103    1.008000    0.040000
 -6.2007E+00 -1.4621E+01  1.7207E+01
 -1.4261E-01  1.3064E+00  8.0096E-01
 -3.4035E+03 -4.6758E+01  3.5369E+03
HC            4104    1.008000    0.040000
 -4.6062E+00 -1.4547E+01  1.7411E+01
 -5.5136E+00  1.1306E+01  1.1393E+01
  2.2575E+03 -1.8898E+03  2.6910E+03
CT            4105   12.011000    0.145000
 -2.0336E+01 -2.2461E+00  7.3428E+00
 -4.8787E+00 -1.8863E+00  9.2898E-01
  7.1817E+03  2.2384E+03 -1.9158E+03
OH            4106    0.000000   -0.683000
  2.0160E+01 -1.8170E+00  6.0619E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4107    1.008000    0.418000
  2.0170E+01 -8.7698E-01  6.1579E+00
 -2.6090E+01  1.2090E+00 -2.0845E+00
  4.0828E+02 -5.6342E+02 -2.1221E+03
HC            4108    1.008000    0.040000
  2.0000E+01 -2.9212E+00  7.9862E+00
 -2.8090E+01 -1.4397E+00 -1.7591E+01
 -2.5475E+03  6.3288E+02 -3.1019E+03
HC            4109    1.008000    0.040000
 -2.0112E+01 -1.2850E+00  7.8060E+00
  1.6467E+01 -4.3990E+00 -3.1182E+00
 -1.8540E+02 -1.6746E+03  2.7806E+03
HC            4110    1.008000    0.040000
 -1.9330E+01 -2.6217E+00  7.1558E+00
  4.6791E+00  2.4361E+01 -4.7118E+00
 -2.2748E+02 -2.2332E+02  1.1629E+03
CT            4111   12.011000    0.145000
  1.9057E+01  6.1168E+00  8.6437E+00
  9.6098E-03  5.3730E-01  3.7871E+00
 -8.8436E+02 -4.5851E+03 -1.7341E+02
OH            4112    0.000000   -0.683000
  1.7666E+01  6.3445E+00  8.6111E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4113    1.008000    0.418000
  1.7450E+01  7.0580E+00  9.1921E+00
 -6.3684E+00 -4.0497E+00  2.7220E+00
  4.6589E+02  1.3914E+02 -1.3714E+02
HC            4114    1.008000    0.040000
  1.9121E+01  5.1086E+00  8.2344E+00
  1.6389E+01 -6.6003E+00  2.2322E+01
  2.4640E+03  1.0682E+03 -1.5396E+03
HC            4115    1.008000    0.040000
  1.9417E+01  5.9306E+00  9.6557E+00
 -6.7731E+00 -7.3536E-01  6.0158E+00
 -3.8658E+01  2.6861E+03  4.5432E+02
HC            4116    1.008000    0.040000
  1.9640E+01  6.8218E+00  8.0511E+00
  1.6726E+01 -1.2048E+01  4.5240E+00
  7.4972E+02 -4.5509E+02  1.3608E+03
CT            4117   12.011000    0.145000
 -3.5016E-01  4.7541E+00  6.3576E+00
  1.9644E+00 -3.4317E+00  8.5365E+00
 -6.1192E+02 -3.8607E+03 -8.6541E+03
OH            4118    0.000000   -0.683000
  1.0266E+00  4.8445E+00  6.0668E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4119    1.008000    0.418000
  1.2719E+00  5.6018E+00  6.5762E+00
  1.1604E+01 -4.1547E+00  8.8800E-01
 -3.6471E+02  1.1332E+03 -1.9141E+03
HC            4120    1.008000    0.040000
 -6.7179E-01  4.8357E+00  7.3959E+00
 -9.1940E+00  1.7284E+01  4.0046E+00
  6.1931E+02  1.0182E+03 -1.1011E+03
HC            4121    1.008000    0.040000
 -6.8860E-01  3.8524E+00  5.8473E+00
 -1.4750E+01  1.0713E+01 -6.7688E+00
 -1.0061E+03 -6.8453E+02  2.2659E+03
HC            4122    1.008000    0.040000
 -8.4814E-01  5.4593E+00  5.6921E+00
 -2.0400E+01 -1.6869E+01  1.0008E+01
 -1.6216E+03  1.4332E+03  3.3048E+03
CT            4123   12.011000    0.145000
  1.0689E+01  5.8618E+00  3.8062E+00
 -1.0600E+00  3.4216E+00 -6.6114E-01
 -1.7474E+02  3.2580E+03 -6.9827E+02
OH            4124    0.000000   -0.683000
  1.0727E+01  5.6019E+00  2.4208E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4125    1.008000    0.418000
  1.1534E+01  5.1105E+00  2.4069E+00
  7.2005E+00  1.1463E+01 -4.4269E-01
  1.0424E+03  2.0590E+03 -4.6545E+03
HC            4126    1.008000    0.040000
  1.1149E+01  5.0812E+00  4.4125E+00
  4.4794E+00  2.4488E+01  2.4053E+01
 -1.2981E+03  8.9791E+02 -5.1435E+01
HC            4127    1.008000    0.040000
  9.6689E+00  6.0931E+00  4.1123E+00
 -7.5978E+00 -1.5427E+00 -1.7544E+01
  8.5078E+01 -1.0023E+03  1.0503E+02
HC            4128    1.008000    0.040000
  1.1284E+01  6.7608E+00  3.9658E+00
 -1.7979E-01  5.1153E+00 -1.2568E+01
  5.1468E+02 -3.7456E+02  5.0239E+02
CT            4129   12.011000    0.145000
 -1.6555E+01  5.4924E+00 -7.9379E+00
  1.7307E+00  2.0233E+00 -3.6035E+00
  2.5077E+03  2.2128E+03 -2.1446E+03
OH            4130    0.000000   -0.683000
 -1.7236E+01  6.6781E+00 -7.5937E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4131    1.008000    0.418000
 -1.6582E+01  7.3575E+00 -7.5331E+00
  4.5802E+00 -3.0607E+00 -1.2159E+01
 -2.5230E+02 -3.6413E+02  2.0509E+03
HC            4132    1.008000    0.040000
 -1.5988E+01  5.2985E+00 -7.0276E+00
 -3.7198E+00  1.2599E+00 -3.2428E-01
 -1.8247E+03 -5.2131E+03 -1.1215E+02
HC            4133    1.008000    0.040000
 -1.5834E+01  5.5091E+00 -8.7557E+00
 -2.1045E+01 -3.4951E+00 -2.5012E+01
 -8.5013E+02  3.3235E+03  2.2773E+02
HC            4134    1.008000    0.040000
 -1.7287E+01  4.7848E+00 -8.3269E+00
 -7.7254E+00 -7.7120E+00  2.8744E+01
  6.2328E+02 -2.1544E+03  4.7945E+03
CT            4135   12.011000    0.145000
  1.7017E+01 -1.0998E+01  1.4242E+01
  1.2620E-02 -5.4106E-01  2.1866E+00
  1.3490E+03  6.7404E+02 -2.1853E+02
OH            4136    0.000000   -0.683000
  1.6483E+01 -9.7315E+00  1.4556E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4137    1.008000    0.418000
  1.6263E+01 -9.6209E+00  1.5469E+01
  9.5483E+00  1.6018E+01  7.4573E-01
  2.4847E+03 -3.2300E+03  4.4847E+02
HC            4138    1.008000    0.040000
  1.6791E+01 -1.0895E+01  1.3181E+01
 -1.1132E+01  1.1869E+01  5.4911E+00
  1.1742E+03 -4.9947E+03 -1.2873E+02
HC            4139    1.008000    0.040000
  1.6567E+01 -1.1831E+01  1.4783E+01
  1.2718E+01 -6.6794E+00  3.6742E+00
 -1.4406E+03  1.7002E+02 -1.6988E+03
HC            4140    1.008000    0.040000
  1.8080E+01 -1.1174E+01  1.4403E+01
 -1.1255E+00 -1.9935E+01 -8.4680E+00
 -1.2065E+02  1.9377E+03 -3.4958E+02
CT            4141   12.011000    0.145000
  4.3364E+00  1.5546E+00 -1.5057E+01
 -2.2008E+00 -2.8654E+00  2.2274E+00
  4.6225E+03  5.5941E+02  1.5535E+01
OH            4142    0.000000   -0.683000
  4.5109E+00  6.1843E-01 -1.6097E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4143    1.008000    0.418000
  4.2961E+00 -2.2876E-01 -1.5738E+01
 -1.1720E+01  9.4103E+00  1.6573E+01
  1.8327E+03  1.4626E+03  3.6192E+03
HC            4144    1.008000    0.040000
  5.2887E+00  1.5519E+00 -1.4527E+01
  3.4823E+00 -1.4803E+01 -7.5323E+00
 -7.5803E+02 -5.5260E+01  1.3916E+03
HC            4145    1.008000    0.040000
  3.5135E+00  1.2824E+00 -1.4396E+01
 -3.9953E+00 -9.8221E+00 -2.7548E+00
 -7.3714E+02  1.7346E+03 -8.6829E+02
HC            4146    1.008000    0.040000
  4.2582E+00  2.5148E+00 -1.5567E+01
 -8.6666E+00 -1.6726E+00  5.3621E+00
 -2.0486E+03  9.5304E+02  2.0469E+03
CT            4147   12.011000    0.145000
 -6.2135E-01  9.4377E+00 -1.9050E+01
 -2.2839E+00 -2.8335E-03 -2.4996E+00
  4.8976E+02 -2.8765E+02  1.0018E+03
OH            4148    0.000000   -0.683000
 -1.4910E+00  1.0209E+01 -1.8252E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4149    1.008000    0.418000
 -1.1890E+00  1.1097E+01 -1.8367E+01
 -9.9604E+00  2.9194E+00 -4.7695E+00
 -1.8255E+03  3.5683E+02 -1.7501E+03
HC            4150    1.008000    0.040000
  3.3634E-01  9.9358E+00 -1.9202E+01
 -1.1483E+01  1.7138E+01 -6.9401E+00
 -5.7292E+02  7.3078E+02  9.7036E+02
HC            4151    1.008000    0.040000
 -9.6529E-01  9.2000E+00 -2.0057E+01
 -1.0946E+00  6.8700E+00 -4.5817E+00
 -1.5224E+03  9.7195E+02  4.2611E+02
HC            4152    1.008000    0.040000
 -3.8826E-01  8.5103E+00 -1.8527E+01
  1.6303E+01  5.4350E+00 -4.1633E-01
 -1.0232E+03  4.4058E+02  5.2034E+02
CT            4153   12.011000    0.145000
  1.4446E-01 -1.7805E+00 -8.8404E-01
  3.8400E+00 -8.5365E-01 -9.6381E+00
 -1.0094E+03 -5.4705E+02  4.1831E+03
OH            4154    0.000000   -0.683000
  1.1782E+00 -2.6013E+00 -3.8825E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4155    1.008000    0.418000
  1.9931E+00 -2.2106E+00 -6.6450E-01
 -2.4720E+00  2.2041E+00 -4.2823E+00
  2.6820E+02 -1.3507E+03 -1.0012E+03
HC            4156    1.008000    0.040000
  1.4963E-01 -1.6617E+00 -1.9675E+00
 -4.0152E+00 -1.2037E+00 -9.7710E+00
 -3.5629E+02  6.2952E+02  4.7539E+02
HC            4157    1.008000    0.040000
  8.7704E-02 -8.5078E-01 -3.1792E-01
  6.2896E+00  2.4846E+00 -1.4797E+01
  1.8627E+03  1.6408E+03 -2.1816E+03
HC            4158    1.008000    0.040000
 -7.7669E-01 -2.2617E+00 -5.5541E-01
  9.9654E-02 -1.3981E-01 -1.8779E+01
 -1.2367E+03  4.1546E+02 -2.2107E+03
CT            4159   12.011000    0.145000
 -3.6064E+00 -1.2834E+01  1.5097E+01
  1.0584E+00 -2.8837E+00  6.7870E-03
 -1.5304E+03  5.8344E+03 -1.8050E+02
OH            4160    0.000000   -0.683000
 -3.7042E+00 -1.2870E+01  1.3691E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4161    1.008000    0.418000
 -4.1989E+00 -1.3621E+01  1.3400E+01
 -1.5653E+01  5.0159E+00  1.2205E+01
  1.6059E+03 -9.4498E+02  1.3731E+03
HC            4162    1.008000    0.040000
 -4.6011E+00 -1.2525E+01  1.5418E+01
 -1.4171E+00 -1.5102E+01  4.6698E+00
 -9.3250E+01 -3.0132E+03  3.5017E+03
HC            4163    1.008000    0.040000
 -2.9924E+00 -1.1934E+01  1.5117E+01
  1.3458E+01 -1.1182E+01  6.4119E+00
  2.3150E+03 -1.3042E+03  4.5049E+03
HC            4164    1.008000    0.040000
 -3.1995E+00 -1.3690E+01  1.5637E+01
 -2.1827E+01  1.5535E+00  2.6633E+01
 -1.0653E+03  1.2864E+03 -2.5215E+02
CT            4165   12.011000    0.145000
  8.9271E+00  2.1139E+00 -1.7720E+01
  2.7214E+00  6.1072E-01 -1.2552E+00
  4.5001E+03 -4.4280E+03  3.6774E+03
OH            4166    0.000000   -0.683000
  9.1450E+00  3.1161E+00 -1.6752E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4167    1.008000    0.418000
  9.8582E+00  3.6281E+00 -1.7102E+01
  2.4056E+00 -4.7336E+00 -2.1213E+00
 -4.1102E+02 -7.8930E+02 -1.9542E+03
HC            4168    1.008000    0.040000
  9.9308E+00  1.7747E+00 -1.7976E+01
  5.0687E+00  7.6312E+00 -1.5680E+00
 -1.2131E+02  7.6041E+02 -2.9586E+03
HC            4169    1.008000    0.040000
  8.3559E+00  2.4490E+00 -1.8585E+01
  4.5138E+00  3.8866E+00 -1.1860E+00
  7.0810E+02 -1.0639E+03 -1.5133E+02
HC            4170    1.008000    0.040000
  8.5881E+00  1.2076E+00 -1.7218E+01
  1.7949E+01 -6.1797E+00 -2.6754E+00
 -3.2525E+03  7.5517E+02 -1.2213E+03
CT            4171   12.011000    0.145000
  1.2528E+01  9.8565E+00 -1.0473E+01
 -2.3073E+00  4.8404E+00 -1.9375E-01
 -1.1453E+03  2.8893E+03 -1.4258E+02
OH            4172    0.000000   -0.683000
  1.3801E+01  1.0453E+01 -1.0576E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4173    1.008000    0.418000
  1.3674E+01  1.1037E+01 -1.1309E+01
 -3.5547E+01 -1.7611E+00  3.0233E+00
 -1.3362E+03 -1.1264E+03  8.1628E+02
HC            4174    1.008000    0.040000
  1.2497E+01  9.0446E+00 -1.1200E+01
 -6.8384E+00 -1.5256E+01  2.1238E+01
 -1.6736E+03 -1.8469E+03  3.0303E+03
HC            4175    1.008000    0.040000
  1.1700E+01  1.0540E+01 -1.0661E+01
 -1.6704E+01 -8.6451E+00  1.1357E+01
  6.0155E+02  7.8835E+01 -5.6609E+02
HC            4176    1.008000    0.040000
  1.2414E+01  9.5771E+00 -9.4255E+00
  6.6043E+00 -9.2787E+00 -2.7217E+00
 -3.8996E+02 -3.9036E+03 -1.2343E+03
CT            4177   12.011000    0.145000
 -9.7111E+00  1.1726E+00 -3.5765E-01
 -9.5541E+00  4.1349E+00  6.1318E+00
 -1.4630E+03  1.8876E+03 -3.4395E+03
OH            4178    0.000000   -0.683000
 -1.0530E+01  2.4210E-01 -1.0298E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4179    1.008000    0.418000
 -1.0798E+01 -2.8082E-01 -2.8953E-01
  5.5384E+00  6.5986E+00  6.8277E+00
 -1.1742E+03 -1.0826E+03 -1.4952E+03
HC            4180    1.008000    0.040000
 -8.7866E+00  6.8079E-01 -5.5157E-02
  5.8505E+00  1.6456E+01 -1.7742E+01
 -1.0036E+03  1.9159E+03  1.5461E+03
HC            4181    1.008000    0.040000
 -1.0260E+01  1.6890E+00  4.2978E-01
  1.1953E+00 -6.7400E+00  2.1349E+01
  8.1276E+02 -2.6818E+03  1.9783E+03
HC            4182    1.008000    0.040000
 -9.4022E+00  2.0197E+00 -9.7015E-01
 -1.0137E+01  9.3083E+00  1.2874E+01
  6.6216E+02 -1.3773E+03 -1.7610E+03
CT            4183   12.011000    0.145000
 -7.6861E+00  8.1635E+00 -1.0660E+01
 -3.7077E+00  1.6241E-01  1.0451E+00
 -9.8000E+03 -2.8105E+03 -1.3541E+03
OH            4184    0.000000   -0.683000
 -7.8820E+00  9.2491E+00 -1.1538E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4185    1.008000    0.418000
 -7.3085E+00  9.9552E+00 -1.1282E+01
 -2.1786E+01  2.5875E+01 -1.6959E+01
 -2.2641E+03  1.5634E+02 -1.5882E+02
HC            4186    1.008000    0.040000
 -6.6928E+00  7.7146E+00 -1.0658E+01
 -2.8912E-01  6.9593E+00  1.9160E+01
 -1.0958E+03 -2.3248E+02  1.6853E+03
HC            4187    1.008000    0.040000
 -8.4468E+00  7.4700E+00 -1.1018E+01
  9.0105E+00  1.0450E+00 -3.0972E+01
  3.1585E+03 -2.0913E+03 -3.0874E+03
HC            4188    1.008000    0.040000
 -8.1520E+00  8.2749E+00 -9.6809E+00
  1.4919E+01 -1.8547E+00  1.0590E+01
  4.8884E+03  2.2838E+03  2.2788E+03
CT            4189   12.011000    0.145000
  1.3058E+01  6.1124E+00 -8.1252E+00
 -7.3156E-01  1.1719E+00  3.5529E+00
  1.1716E+02  8.8690E+02 -3.7666E+03
OH            4190    0.000000   -0.683000
  1.1696E+01  5.7909E+00 -8.3035E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4191    1.008000    0.418000
  1.1542E+01  4.8908E+00 -8.0606E+00
 -1.6236E+01 -1.3908E-01 -9.3855E+00
  1.7216E+03 -3.2119E+02 -1.7884E+03
HC            4192    1.008000    0.040000
  1.3673E+01  5.9235E+00 -9.0050E+00
  4.1426E+00 -9.8821E+00  9.1325E+00
 -1.6406E+02 -2.3082E+03  1.6220E+02
HC            4193    1.008000    0.040000
  1.3310E+01  5.4288E+00 -7.3146E+00
 -8.3829E+00 -7.9454E+00 -1.5459E+00
  3.1895E+03  2.6881E+03  3.9121E+02
HC            4194    1.008000    0.040000
  1.3061E+01  7.1953E+00 -8.0015E+00
  1.1706E+01 -1.7268E-01  1.7939E+01
  2.3137E+03 -4.7061E+02  4.0057E+03
CT            4195   12.011000    0.145000
  1.8180E+00  3.5197E+00  1.4697E+01
 -6.9393E+00 -1.8527E+00  6.3048E+00
  1.4177E+03  2.9710E+03  3.8917E+03
OH            4196    0.000000   -0.683000
  2.6712E+00  2.6098E+00  1.5355E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4197    1.008000    0.418000
  3.0686E+00  2.2078E+00  1.4597E+01
 -1.0018E+00 -4.9078E+00  2.0397E+00
  2.4888E+03 -1.0369E+03  1.8890E+03
HC            4198    1.008000    0.040000
  1.1525E+00  4.0903E+00  1.5345E+01
 -3.3444E+00  1.0666E+01 -6.9069E-01
  3.0737E+01 -1.2594E+03  1.0656E+03
HC            4199    1.008000    0.040000
  1.2073E+00  3.1333E+00  1.3881E+01
 -2.6587E-01  5.2528E+00 -2.2614E+00
  1.4190E+03 -9.6922E+02  1.3855E+02
HC            4200    1.008000    0.040000
  2.4870E+00  4.2815E+00  1.4297E+01
  4.6119E+00 -1.7436E+01 -5.3288E+00
 -5.1251E+02 -7.6884E+02 -1.6703E+03
CT            4201   12.011000    0.145000
 -1.1260E+01  1.7716E+01  1.7109E+01
  7.2137E+00 -6.0171E+00  7.1752E-01
 -3.6040E+03  1.3226E+03  3.0738E+03
OH            4202    0.000000   -0.683000
 -1.0569E+01  1.8654E+01  1.7904E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4203    1.008000    0.418000
 -1.1138E+01  1.9397E+01  1.7772E+01
  1.9094E+00  2.3421E+00  4.7182E+00
  3.5367E+03  3.0466E+03  1.8479E+03
HC            4204    1.008000    0.040000
 -1.1203E+01  1.6664E+01  1.7389E+01
  1.1304E+01 -8.8345E+00 -1.0179E+01
  3.7936E+03  1.3140E+02 -7.3824E+02
HC            4205    1.008000    0.040000
 -1.1341E+01  1.7891E+01  1.6036E+01
 -1.4130E+01  3.6113E+00  3.3918E+00
  3.9768E+03  1.7238E+02  8.3172E+02
HC            4206    1.008000    0.040000
 -1.2332E+01  1.7858E+01  1.7244E+01
  7.3014E+00  2.1077E+00 -6.2666E+00
  3.3462E+02  1.9354E+03  2.4186E+03
CT            4207   12.011000    0.145000
  1.3564E+01  9.5971E+00  1.0328E+01
 -8.4117E-01 -4.7377E+00 -5.6501E+00
  2.4687E+03  1.6387E+03  5.3466E+02
OH            4208    0.000000   -0.683000
  1.4336E+01  8.6434E+00  1.1023E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4209    1.008000    0.418000
  1.5169E+01  8.6342E+00  1.0577E+01
  1.2210E+01 -2.7501E+01  2.0401E+01
  9.5912E+02 -2.9074E+03  3.4740E+03
HC            4210    1.008000    0.040000
  1.4245E+01  1.0156E+01  9.6863E+00
 -1.4409E+01  1.2586E+01 -5.7234E+00
 -1.7321E+03 -7.4514E+02 -2.0619E+03
HC            4211    1.008000    0.040000
  1.3160E+01  1.0415E+01  1.0924E+01
 -1.1316E+01  1.2630E+01 -3.4503E+01
 -3.0414E+03 -2.8435E+03 -2.8659E+02
HC            4212    1.008000    0.040000
  1.2923E+01  8.8798E+00  9.8157E+00
 -1.2719E+00 -5.4421E+00 -4.1316E+00
 -3.6187E+03  4.0756E+03 -5.4201E+02
CT            4213   12.011000    0.145000
  1.5805E+01  2.0347E+01 -8.6697E+00
 -5.0082E+00 -1.5743E-01  4.3430E+00
 -3.9855E+03  4.5233E+02  4.5712E+03
OH            4214    0.000000   -0.683000
  1.6551E+01  1.9476E+01 -7.8504E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4215    1.008000    0.418000
  1.5969E+01  1.9095E+01 -7.2113E+00
  1.1939E+00  2.8406E+01  1.9892E+01
 -1.8881E+02  1.1306E+03 -1.3796E+03
HC            4216    1.008000    0.040000
  1.6278E+01 -2.0012E+01 -9.4897E+00
 -2.5926E+00  3.3050E+00  7.9799E+00
  1.6816E+03 -1.8908E+03  3.4246E+02
HC            4217    1.008000    0.040000
  1.5450E+01 -1.9804E+01 -7.9606E+00
 -2.2662E+01 -7.8287E+00  4.1334E+00
 -1.1187E+03  8.9120E+02 -1.4047E+03
HC            4218    1.008000    0.040000
  1.4917E+01  1.9805E+01 -8.9940E+00
  4.0435E+00 -1.4189E+01  2.1725E+00
  4.4832E+02  3.4101E+02 -1.4445E+03
CT            4219   12.011000    0.145000
 -8.9297E+00 -2.0149E+01  9.9034E+00
 -2.2083E+00 -2.4423E+00 -5.2208E-01
  7.1794E+02 -1.1376E+03  3.6259E+02
OH            4220    0.000000   -0.683000
 -8.4037E+00 -2.0344E+01  8.6097E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4221    1.008000    0.418000
 -8.2601E+00 -1.9488E+01  8.2350E+00
 -1.8759E+01 -3.4224E+00 -1.6722E+01
  3.2298E+02 -8.2787E+02  1.8264E+00
HC            4222    1.008000    0.040000
 -8.2884E+00 -1.9448E+01  1.0438E+01
  1.4093E-01 -6.2811E+00  1.7416E+00
  1.1373E+03 -2.2034E+03  1.5307E+03
HC            4223    1.008000    0.040000
 -8.9185E+00  1.9723E+01  1.0267E+01
  4.4193E+00 -2.1239E+00  2.9835E-01
  7.7510E+02  1.1435E+03  3.4040E+03
HC            4224    1.008000    0.040000
 -9.9348E+00 -1.9768E+01  1.0083E+01
  9.0469E-01  2.5225E+00  6.8563E+00
 -2.3966E+02  1.1657E+02 -3.2644E+03
CT            4225   12.011000    0.145000
 -1.7712E+01 -1.2554E+01  2.0421E+01
 -1.3348E+00  5.4429E-01 -6.1641E-01
  3.8406E+03 -1.2703E+03  1.5267E+03
OH            4226    0.000000   -0.683000
 -1.7758E+01 -1.1550E+01 -1.9490E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4227    1.008000    0.418000
 -1.7154E+01 -1.1815E+01 -1.8813E+01
 -1.7289E+01 -1.9653E+01  8.8498E+00
 -1.0138E+03 -8.4348E+02 -3.8635E+02
HC            4228    1.008000    0.040000
 -1.8182E+01 -1.2119E+01  1.9538E+01
 -3.3148E+01  1.2970E+01  2.0601E+01
 -7.4489E+02 -3.1953E+03  9.8349E+02
HC            4229    1.008000    0.040000
 -1.8079E+01 -1.3492E+01 -2.0063E+01
  1.3543E+01 -6.9940E+00 -3.8194E+00
 -2.8484E+03  5.0591E+02 -2.4793E+03
HC            4230    1.008000    0.040000
 -1.6654E+01 -1.2777E+01  2.0283E+01
  1.2112E+00  1.6840E+01 -1.0058E+01
  2.4531E+02  1.4697E+03 -1.4806E+03
CT            4231   12.011000    0.145000
 -1.3117E+01  9.2741E+00  9.4439E+00
  1.8791E+00 -1.3626E+00 -1.4666E+00
 -5.6420E+03  3.9219E+03  2.9095E+03
OH            4232    0.000000   -0.683000
 -1.2433E+01  1.0483E+01  9.2008E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4233    1.008000    0.418000
 -1.1569E+01  1.0277E+01  9.5225E+00
 -9.0643E+00  5.8769E+00  3.1588E+01
 -1.0262E+03  1.5467E+03  7.6242E+02
HC            4234    1.008000    0.040000
 -1.3541E+01  9.4219E+00  1.0437E+01
  2.3093E+01 -2.0188E+01  1.1372E+01
  1.9667E+03 -3.2865E+03  1.3397E+03
HC            4235    1.008000    0.040000
 -1.2486E+01  8.3865E+00  9.3935E+00
 -1.3426E+01 -1.2635E+01 -1.6023E+00
 -2.2546E+03 -6.3225E+02 -7.2065E+02
HC            4236    1.008000    0.040000
 -1.3979E+01  9.3632E+00  8.7829E+00
  6.0515E+00  5.9549E+00 -6.0617E+00
  6.9907E+02 -4.0850E+03 -1.5516E+03
CT            4237   12.011000    0.145000
  2.7179E+00 -1.8713E+01 -6.4718E+00
 -3.1151E+00  1.1001E+00  3.0290E+00
 -5.1662E+03 -7.5262E+02  2.2398E+03
OH            4238    0.000000   -0.683000
  2.1572E+00 -1.7799E+01 -7.3871E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4239    1.008000    0.418000
  2.8430E+00 -1.7314E+01 -7.8196E+00
 -1.6668E+01  2.2983E+00 -2.6080E+01
 -1.0908E+03 -7.3327E+02 -5.9527E+02
HC            4240    1.008000    0.040000
  2.0874E+00 -1.8635E+01 -5.5861E+00
  5.3455E+00 -8.6630E-02  9.2842E+00
  1.2325E+02 -2.0254E+03  6.6643E+02
HC            4241    1.008000    0.040000
  3.7280E+00 -1.8472E+01 -6.1408E+00
 -3.6138E+00  7.2880E+00  1.7796E-01
 -2.0821E+01  9.6321E+02 -1.8502E+03
HC            4242    1.008000    0.040000
  2.5673E+00 -1.9661E+01 -6.9891E+00
  7.2149E+00 -5.7863E+00  1.2175E+01
  2.8635E+03 -1.9190E+03  2.6333E+03
CT            4243   12.011000    0.145000
  1.2535E+01 -1.6693E+01  3.7991E+00
  1.2216E+00 -1.5763E+00 -2.3143E+00
 -1.7925E+03  2.1048E+03  3.1996E+03
OH            4244    0.000000   -0.683000
  1.1888E+01 -1.7859E+01  4.2561E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4245    1.008000    0.418000
  1.2367E+01 -1.8477E+01  3.7242E+00
  2.4883E+01  1.3726E+01  4.8717E+00
 -1.9069E+03 -2.6377E+03  3.5089E+03
HC            4246    1.008000    0.040000
  1.2406E+01 -1.6417E+01  2.7525E+00
 -2.2958E+01  1.2216E+01  3.5332E+00
 -4.0143E+02 -1.5739E+03  6.8357E+02
HC            4247    1.008000    0.040000
  1.3592E+01 -1.6773E+01  4.0559E+00
  7.0255E+00  2.4422E+01 -1.4732E+01
 -8.1727E+02  2.2275E+03  8.7392E+02
HC            4248    1.008000    0.040000
  1.2032E+01 -1.5913E+01  4.3696E+00
 -9.0882E+00 -3.2475E+00 -8.8633E+00
  1.5851E+03  1.5420E+03 -4.6226E+02
CT            4249   12.011000    0.145000
  1.1821E+01  1.9150E+01 -8.5251E+00
 -2.6748E-01 -1.1931E+00  1.9840E+00
 -1.0587E+03  4.4522E+02 -2.3002E+03
OH            4250    0.000000   -0.683000
  1.2511E+01  1.8058E+01 -9.0912E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4251    1.008000    0.418000
  1.2697E+01  1.7512E+01 -8.3426E+00
  1.1161E+01  1.1739E+01  6.2028E+00
 -1.0584E+03  5.6439E+01 -1.6981E+02
HC            4252    1.008000    0.040000
  1.0822E+01  1.8974E+01 -8.1262E+00
  9.5056E-01  1.7154E+01  1.4336E+01
  1.9075E+03 -3.4234E+03  1.5539E+03
HC            4253    1.008000    0.040000
  1.1529E+01  1.9901E+01 -9.2585E+00
  1.4545E+01  6.2756E+00  3.3689E+00
  3.0869E+03  3.7100E+02 -9.6889E+02
HC            4254    1.008000    0.040000
  1.2390E+01  1.9592E+01 -7.7072E+00
  1.2025E+00 -3.3365E+01  2.0021E+01
 -4.8842E+02 -9.2280E+02 -1.0023E+03
CT            4255   12.011000    0.145000
 -2.9945E+00  5.1205E+00  1.2920E+01
 -1.0940E+00 -2.1436E+00  6.9005E+00
  8.8221E+02 -2.9935E+03 -1.3031E+03
OH            4256    0.000000   -0.683000
 -1.6075E+00  5.2059E+00  1.3159E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4257    1.008000    0.418000
 -1.5158E+00  5.9941E+00  1.3672E+01
 -1.4841E+01  5.0264E+00 -4.5494E+00
  8.8290E+02  5.8435E+02 -1.6145E+03
HC            4258    1.008000    0.040000
 -3.1777E+00  4.0632E+00  1.2729E+01
  5.8470E+00 -3.5726E+00  7.8849E+00
 -7.4519E+02 -4.4817E+02  2.1613E+03
HC            4259    1.008000    0.040000
 -3.4243E+00  5.4955E+00  1.1991E+01
  4.9524E+00 -2.5114E+00  3.9055E+00
  3.5134E+03  3.1180E+03 -3.2819E+02
HC            4260    1.008000    0.040000
 -3.6803E+00  5.4852E+00  1.3685E+01
 -1.4095E+01 -1.9950E+01  4.3778E+00
  1.7610E+03 -1.3528E+03  1.2350E+03
CT            4261   12.011000    0.145000
 -1.9493E+01  4.1011E+00 -1.8868E+01
 -6.8882E-02 -8.6202E-01  2.2924E+00
  1.0664E+03  3.1590E+03 -2.5579E+03
OH            4262    0.000000   -0.683000
  2.0152E+01  4.7137E+00 -1.8678E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4263    1.008000    0.418000
  2.0371E+01  5.1758E+00 -1.7883E+01
  2.6306E+01  1.6616E+01 -1.5419E+01
 -2.8112E+03  1.5196E+03 -1.7765E+03
HC            4264    1.008000    0.040000
 -1.9521E+01  3.7215E+00 -1.9889E+01
  5.3607E+00  3.0956E+00  6.2640E-01
  1.1781E+03 -4.5761E+03  1.7219E+03
HC            4265    1.008000    0.040000
 -1.9359E+01  3.4943E+00 -1.7972E+01
 -7.0324E-01  1.8568E-01  3.0995E+00
  2.5692E+03 -3.1001E+03 -2.9554E+03
HC            4266    1.008000    0.040000
 -1.8709E+01  4.8580E+00 -1.8902E+01
  1.9985E+00 -3.0218E+00  1.5909E+00
  6.7035E+02 -2.6761E+02  1.7109E+03
CT            4267   12.011000    0.145000
  1.6609E+01  5.3743E+00 -1.6021E+01
 -4.3252E+00 -4.7338E+00  4.0065E-01
 -4.8040E+03  3.5029E+02 -6.2205E+02
OH            4268    0.000000   -0.683000
  1.6371E+01  5.7146E+00 -1.4673E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4269    1.008000    0.418000
  1.7142E+01  5.3931E+00 -1.4232E+01
  3.4034E+00  1.7897E+01  7.9937E+00
 -3.8184E+02  2.8482E+03  2.4026E+03
HC            4270    1.008000    0.040000
  1.6383E+01  4.3101E+00 -1.5951E+01
  1.0663E+01 -7.3273E+00  1.6180E+01
  3.3731E+03 -5.0681E+02 -2.9632E+03
HC            4271    1.008000    0.040000
  1.7617E+01  5.7471E+00 -1.6200E+01
 -1.2642E+01  5.5319E+00 -3.1917E+01
 -1.0321E+03 -2.3834E+03 -3.8162E+03
HC            4272    1.008000    0.040000
  1.5841E+01  5.9078E+00 -1.6582E+01
  5.7199E+00  7.8970E+00 -1.8012E+00
  1.8689E+03  8.7359E+02 -2.1160E+03
CT            4273   12.011000    0.145000
  7.0180E+00 -2.2614E+00 -5.2008E+00
 -1.1942E+00  1.2972E+00 -2.8460E+00
 -2.7461E+02 -3.2369E+03 -3.7670E+03
OH            4274    0.000000   -0.683000
  8.3312E+00 -1.9406E+00 -5.6017E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4275    1.008000    0.418000
  8.7913E+00 -1.7501E+00 -4.7986E+00
  1.6488E+01  1.2053E+01 -1.1617E+01
  1.0160E+03 -5.0596E+02 -1.0468E+03
HC            4276    1.008000    0.040000
  7.0880E+00 -2.9798E+00 -4.3841E+00
  1.3799E-02 -4.6487E+00 -8.1010E+00
 -1.5458E+03  7.9734E+02  6.0103E+02
HC            4277    1.008000    0.040000
  6.5497E+00 -2.8089E+00 -6.0188E+00
  2.7826E+00 -6.9990E+00  3.1538E-01
  3.6509E+01 -4.6607E+02 -1.1539E+02
HC            4278    1.008000    0.040000
  6.3612E+00 -1.4232E+00 -4.9684E+00
 -4.4024E+00 -7.9112E+00  2.5046E+01
  9.1901E+02 -7.8311E+02  1.0756E+03
CT            4279   12.011000    0.145000
 -7.9066E+00  1.2914E+01 -1.7971E+01
  1.2274E-01 -1.3176E+00 -3.7194E+00
 -4.4892E+02  7.0498E+02  2.5588E+03
OH            4280    0.000000   -0.683000
 -7.7792E+00  1.1593E+01 -1.7495E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4281    1.008000    0.418000
 -7.1881E+00  1.1770E+01 -1.6779E+01
  1.3176E+01 -1.7364E+01 -5.8844E+00
 -1.5717E+03 -3.7352E+03  1.6412E+03
HC            4282    1.008000    0.040000
 -6.9300E+00  1.3345E+01 -1.7750E+01
  5.4018E+00 -1.9549E+01  1.1147E+01
 -4.5729E+02  4.6770E+02 -2.2881E+03
HC            4283    1.008000    0.040000
 -8.6116E+00  1.3383E+01 -1.7284E+01
 -9.4195E+00 -3.4483E+01  1.1162E+01
 -1.8982E+02 -4.0960E+02 -1.7804E+03
HC            4284    1.008000    0.040000
 -8.1984E+00  1.2985E+01 -1.9019E+01
  2.4390E+00  4.9519E-01 -4.2500E+00
 -1.5475E+02  9.9924E+01  2.5957E+02
CT            4285   12.011000    0.145000
 -3.5501E+00  3.1231E+00 -5.1527E+00
 -3.2947E+00  4.9386E-02 -3.7222E-01
  4.4610E+03 -2.2199E+03  5.9310E+03
OH            4286    0.000000   -0.683000
 -3.5114E+00  1.8010E+00 -5.6412E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4287    1.008000    0.418000
 -4.3346E+00  1.3737E+00 -5.4599E+00
  1.0525E+01 -2.8482E+01 -1.3274E+01
  4.7028E+02  1.4865E+02 -2.8577E+03
HC            4288    1.008000    0.040000
 -2.5448E+00  3.5124E+00 -5.3136E+00
 -2.7616E+00 -1.2398E+00 -1.7267E-01
 -1.4711E+03  3.3673E+03 -1.9970E+03
HC            4289    1.008000    0.040000
 -3.5527E+00  3.0041E+00 -4.0692E+00
  6.2096E+00 -2.1096E+01 -2.1723E+00
 -8.3071E+02 -2.0234E+02 -5.0394E+01
HC            4290    1.008000    0.040000
 -4.3920E+00  3.7474E+00 -5.4522E+00
  4.7157E+00  4.2007E+00 -1.5248E+01
  1.8008E+03 -6.6971E+02 -4.4303E+03
CT            4291   12.011000    0.145000
  9.0202E+00  2.5347E+00 -1.3157E+01
  4.0155E+00  4.1147E+00 -7.9211E+00
  1.8111E+03  3.1374E+02 -3.7958E+03
OH            4292    0.000000   -0.683000
  8.0002E+00  1.9742E+00 -1.3953E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4293    1.008000    0.418000
  7.9946E+00  2.5213E+00 -1.4724E+01
  1.4772E+01 -1.4449E+01 -1.1083E+01
  2.3370E+02 -1.3338E+03 -3.6370E+02
HC            4294    1.008000    0.040000
  9.9225E+00  2.5666E+00 -1.3768E+01
 -7.0652E+00  6.9838E-01 -2.5184E+01
 -1.4749E+02 -1.6546E+03 -1.6790E+02
HC            4295    1.008000    0.040000
  9.2382E+00  1.9651E+00 -1.2254E+01
  3.3477E+00  9.6838E+00 -4.1983E+00
 -1.1263E+03  5.4922E+02  2.9079E+02
HC            4296    1.008000    0.040000
  8.9096E+00  3.6005E+00 -1.2957E+01
  7.3949E+00  4.4047E+00 -7.5400E+00
 -2.3669E+03 -6.5012E+02  1.5759E+03
CT            4297   12.011000    0.145000
 -6.8610E+00  7.4146E+00  1.0353E+01
  1.4895E+00  1.1225E+00  7.1368E+00
 -8.5692E+02 -1.1080E+03 -2.6473E+03
OH            4298    0.000000   -0.683000
 -6.2974E+00  6.1245E+00  1.0430E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4299    1.008000    0.418000
 -7.0893E+00  5.6100E+00  1.0396E+01
 -4.5745E+00  4.5636E+00  2.1837E+01
  2.0210E+03 -1.9476E+03  1.0083E+02
HC            4300    1.008000    0.040000
 -7.4441E+00  7.2543E+00  9.4458E+00
 -1.3736E+01 -1.8215E+01  1.9510E+01
  6.5681E+02  3.7821E+03 -1.2456E+02
HC            4301    1.008000    0.040000
 -6.1041E+00  8.1985E+00  1.0326E+01
 -1.3370E+01  1.6143E+01  9.8918E+00
 -1.4696E+03  8.5857E+02  7.4219E+01
HC            4302    1.008000    0.040000
 -7.6135E+00  7.5607E+00  1.1128E+01
 -5.4947E+00  1.5692E+01 -1.9484E+00
  1.9324E+03  2.3232E+03  8.5289E+02
CT            4303   12.011000    0.145000
  1.7374E+01  1.7467E+01 -1.2291E+01
 -8.7246E+00  2.4263E+00 -1.1786E+00
 -3.9898E+03 -3.1139E+01 -7.3793E+02
OH            4304    0.000000   -0.683000
  1.6987E+01  1.6511E+01 -1.1329E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4305    1.008000    0.418000
  1.7587E+01  1.5782E+01 -1.1279E+01
 -2.9518E+00 -2.1162E+00  5.4224E+00
 -1.2865E+02 -1.3891E+01  8.6060E+02
HC            4306    1.008000    0.040000
  1.8265E+01  1.8041E+01 -1.2037E+01
  3.2305E+00 -1.9136E+01  8.3748E+00
  5.6781E+02 -2.2270E+03 -9.9965E+01
HC            4307    1.008000    0.040000
  1.6584E+01  1.8202E+01 -1.2449E+01
  2.7356E+00  1.4432E+01 -4.3902E+00
 -1.1879E+02  5.3175E+01  9.5805E+02
HC            4308    1.008000    0.040000
  1.7467E+01  1.6995E+01 -1.3268E+01
 -2.6438E-01  6.2739E+00 -2.3196E+00
  1.5707E+03 -1.5798E+02  2.3085E+02
CT            4309   12.011000    0.145000
  3.9498E+00  5.0759E+00  1.1445E+01
  1.2651E+00 -9.6753E-01  1.7620E+00
  1.6801E+03  1.1143E+03  2.9378E+03
OH            4310    0.000000   -0.683000
  5.1327E+00  5.2820E+00  1.0705E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4311    1.008000    0.418000
  5.5444E+00  4.4396E+00  1.0823E+01
 -3.8731E+00 -2.4330E+00 -3.5754E+00
  2.2726E+03  1.4406E+03  1.3404E+03
HC            4312    1.008000    0.040000
  4.3254E+00  4.8199E+00  1.2435E+01
 -6.8886E+00 -9.8941E+00  2.6951E+00
 -2.3955E+03 -1.9323E+02  1.0671E+03
HC            4313    1.008000    0.040000
  3.4645E+00  4.2162E+00  1.0982E+01
 -1.7661E+01  6.9596E+00  5.9412E+00
 -3.3257E+03  1.7567E+03  1.1029E+03
HC            4314    1.008000    0.040000
  3.4633E+00  6.0512E+00  1.1460E+01
  6.9170E+00  1.8289E+00  9.2427E+00
 -3.1960E+03 -1.8062E+03 -2.0979E+02
CT            4315   12.011000    0.145000
  1.4177E+01  2.9873E+00  5.2739E+00
  6.9961E-01  1.3432E+00 -6.3720E-01
  1.5634E+03  3.1467E+03 -1.5488E+03
OH            4316    0.000000   -0.683000
  1.4730E+01  2.2062E+00  4.2383E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4317    1.008000    0.418000
  1.5671E+01  2.2321E+00  4.3167E+00
  1.3174E+00 -1.8206E+01 -5.2036E+00
 -2.2975E+02  1.1280E+01 -1.5516E+03
HC            4318    1.008000    0.040000
  1.3143E+01  2.6422E+00  5.2740E+00
  3.4815E+00 -7.5295E+00 -1.0518E+01
 -4.9580E+01  2.1468E+03  4.0641E+03
HC            4319    1.008000    0.040000
  1.4261E+01  4.0261E+00  4.9545E+00
 -6.0393E+00  5.7066E+00  1.1145E+01
 -1.2075E+03  7.5815E+02  1.4244E+03
HC            4320    1.008000    0.040000
  1.4816E+01  2.8688E+00  6.1489E+00
  4.2158E+00  1.6435E+00 -3.1432E+00
 -2.7535E+03 -8.2926E+02  1.7091E+03
CT            4321   12.011000    0.145000
 -5.8599E+00 -1.6217E+00 -1.8678E+01
  6.9123E-04 -3.8541E+00  1.0295E+00
  2.3582E+02 -5.2398E+03  8.2306E+03
OH            4322    0.000000   -0.683000
 -7.2683E+00 -1.6005E+00 -1.8613E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4323    1.008000    0.418000
 -7.5773E+00 -1.4880E+00 -1.7727E+01
  2.2726E+01 -5.6672E+00  9.3646E+00
  4.5150E+03 -1.4382E+03  1.5434E+03
HC            4324    1.008000    0.040000
 -5.3404E+00 -1.5281E+00 -1.9632E+01
 -2.4916E+00 -6.0077E+00 -5.5369E-01
 -1.4959E+03  1.6404E+03  9.6814E+01
HC            4325    1.008000    0.040000
 -5.6167E+00 -2.6405E+00 -1.8377E+01
  1.0797E+01 -6.2520E+00 -1.4558E+01
  1.3670E+03 -8.4426E+01 -8.9762E+01
HC            4326    1.008000    0.040000
 -5.4346E+00 -1.0073E+00 -1.7885E+01
  1.3254E+01 -5.2521E+00 -4.7277E+00
  1.0690E+03  1.3483E+03 -1.4269E+03
CT            4327   12.011000    0.145000
  1.4395E+01  6.7979E+00  1.8187E+01
 -1.0839E+00 -2.6736E+00  4.7731E+00
 -1.8536E+03  2.6933E+03  5.4244E+03
OH            4328    0.000000   -0.683000
  1.3036E+01  6.7085E+00  1.7822E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4329    1.008000    0.418000
  1.3021E+01  6.7519E+00  1.6878E+01
  1.5518E+01 -3.7802E+01 -3.7874E+00
 -1.0932E+03  9.1470E+02  2.1246E+03
HC            4330    1.008000    0.040000
  1.5067E+01  7.3790E+00  1.7554E+01
 -2.0508E+00  4.1956E+00  9.9415E+00
 -7.7468E+02 -2.3774E+03 -2.2331E+03
HC            4331    1.008000    0.040000
  1.4804E+01  5.8808E+00  1.8611E+01
  1.0227E+01 -2.9120E+00 -6.0365E+00
  1.0378E+03 -8.3235E+02 -3.1347E+03
HC            4332    1.008000    0.040000
  1.4468E+01  7.4094E+00  1.9086E+01
 -1.1389E+01 -7.5962E+00  9.1170E+00
 -1.9934E+03  6.0938E+02  2.3908E+02
CT            4333   12.011000    0.145000
 -9.3864E+00 -7.9476E+00  3.8443E+00
  1.7781E+00  1.4715E+00 -2.0635E+00
 -3.4640E+03 -5.5493E+03 -9.4022E+03
OH            4334    0.000000   -0.683000
 -8.3765E+00 -8.9139E+00  4.0301E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4335    1.008000    0.418000
 -7.5506E+00 -8.4762E+00  4.1695E+00
 -1.0468E+01  2.0008E+01  2.9203E+00
 -6.5256E+02  1.1326E+03 -2.9936E+03
HC            4336    1.008000    0.040000
 -1.0138E+01 -8.5677E+00  3.3565E+00
  1.0826E+01  9.4367E+00 -2.7791E+01
 -1.3539E+03 -1.5259E+02  3.0538E+03
HC            4337    1.008000    0.040000
 -9.2456E+00 -7.4307E+00  2.8950E+00
  1.6248E+01  1.0641E+01  4.7174E+00
  2.0378E+03  4.4242E+03  2.2423E+03
HC            4338    1.008000    0.040000
 -9.9004E+00 -7.4060E+00  4.6384E+00
  5.6108E+00  6.8137E+00 -3.1699E+00
  3.0422E+03  4.0278E+02  7.6302E+02
CT            4339   12.011000    0.145000
 -4.6108E+00 -1.1993E+01  2.0421E+01
  8.9305E-03  7.5406E-01 -2.2325E+00
  3.6133E+02  1.1582E+03  3.3686E+02
OH            4340    0.000000   -0.683000
 -3.2460E+00 -1.2330E+01  2.0315E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4341    1.008000    0.418000
 -3.1094E+00 -1.3078E+01  1.9753E+01
 -1.3360E+01 -4.0759E+00  1.8217E+00
 -1.0749E+03 -6.1693E+02  7.9268E+02
HC            4342    1.008000    0.040000
 -4.6925E+00 -1.1336E+01 -1.9613E+01
  5.1705E+00 -7.4263E+00  4.6187E+00
  1.0743E+03  2.9379E+03 -2.3837E+03
HC            4343    1.008000    0.040000
 -5.3991E+00 -1.2652E+01 -2.0116E+01
  1.7846E+01 -1.1824E+01  1.5847E+01
  4.1757E+03 -4.9783E+03 -1.4345E+03
HC            4344    1.008000    0.040000
 -4.9116E+00 -1.1542E+01  1.9475E+01
  2.4358E+01  2.2428E+01 -7.7673E-01
  9.8570E+02  1.2562E+03  1.2068E+03
CT            4345   12.011000    0.145000
 -1.3192E+01  1.8709E+01 -1.4200E+01
  1.1350E+00 -5.4949E+00 -2.2531E+00
  1.9771E+02 -2.3557E+03  6.5489E+02
OH            4346    0.000000   -0.683000
 -1.1872E+01  1.8788E+01 -1.3712E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4347    1.008000    0.418000
 -1.1462E+01  1.9481E+01 -1.4207E+01
  5.9845E-01  1.1469E+01  1.5794E+01
  1.0311E+03  3.2686E+02  1.8376E+03
HC            4348    1.008000    0.040000
 -1.3564E+01  1.7821E+01 -1.3688E+01
 -1.9780E-01 -8.8954E+00 -9.0026E+00
 -2.1674E+03 -9.5268E+02 -2.8129E+03
HC            4349    1.008000    0.040000
 -1.3159E+01  1.8631E+01 -1.5287E+01
 -1.0805E+01 -4.6563E+00 -2.8147E+00
 -2.2172E+03 -8.6130E+02  8.0574E+01
HC            4350    1.008000    0.040000
 -1.3726E+01  1.9617E+01 -1.3919E+01
  1.9546E+01  1.7547E+01 -3.4845E+01
  7.0027E+02 -1.5582E+02 -3.8263E+03
CT            4351   12.011000    0.145000
  1.1151E+01 -1.7335E+01 -7.1190E+00
  5.4472E+00 -4.8082E+00  7.0597E+00
  5.1084E+02 -6.5478E+01  1.5224E+03
OH            4352    0.000000   -0.683000
  1.0813E+01 -1.6331E+01 -6.1887E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4353    1.008000    0.418000
  1.0470E+01 -1.5708E+01 -6.8120E+00
 -5.6519E+00 -9.3008E+00 -6.4340E+00
  4.7038E+02  1.8546E+03  2.0907E+03
HC            4354    1.008000    0.040000
  1.1158E+01 -1.8306E+01 -6.6243E+00
  2.2492E-01 -6.1849E+00  4.5090E+00
  3.8961E+03 -6.7178E+01 -3.3809E+02
HC            4355    1.008000    0.040000
  1.2093E+01 -1.6943E+01 -7.5009E+00
  1.0151E+01 -3.0306E+01 -1.0041E+01
  8.5718E+02 -4.4352E+03 -1.2144E+03
HC            4356    1.008000    0.040000
  1.0416E+01 -1.7369E+01 -7.9230E+00
  1.3079E+01  3.4679E+00 -4.9761E-01
  9.6047E+02 -2.9672E+02 -5.1204E+02
CT            4357   12.011000    0.145000
 -1.6084E+01  1.6509E+01 -5.2410E-01
  3.7426E+00  4.6455E+00 -2.5861E+00
  3.9767E+02  3.1442E+03 -7.6299E+02
OH            4358    0.000000   -0.683000
 -1.6849E+01  1.6458E+01 -1.7073E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4359    1.008000    0.418000
 -1.7703E+01  1.6223E+01 -1.3783E+00
  3.4350E+00 -1.4957E+01 -1.0506E+00
 -4.0640E+02  1.7170E+02 -1.7018E+03
HC            4360    1.008000    0.040000
 -1.5663E+01  1.5511E+01 -4.0009E-01
  1.1974E+01  8.7131E+00  3.1909E+00
 -7.4555E+02  5.3294E+02  4.1021E+03
HC            4361    1.008000    0.040000
 -1.6675E+01  1.6969E+01  2.6756E-01
  3.5300E+00 -4.1671E+00  2.5085E+00
 -2.4355E+03 -5.2197E+03  1.3347E+03
HC            4362    1.008000    0.040000
 -1.5290E+01  1.7228E+01 -3.2189E-01
  5.9649E+00 -6.4528E-01  8.2585E+00
  2.2033E+03 -1.1088E+03 -5.8389E+03
CT            4363   12.011000    0.145000
 -7.8556E+00 -3.7648E+00 -5.7363E+00
  4.3701E+00 -2.4236E+00  3.5964E+00
  7.8489E+03 -3.1541E+03  8.5745E+03
OH            4364    0.000000   -0.683000
 -6.9533E+00 -2.7747E+00 -6.1761E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4365    1.008000    0.418000
 -7.4186E+00 -2.6016E+00 -6.9802E+00
  2.8065E+01  7.4796E+00 -1.6001E+01
  4.7916E+03  4.9558E+03 -1.1531E+03
HC            4366    1.008000    0.040000
 -8.0505E+00 -4.4967E+00 -6.5201E+00
  3.9975E+00  1.0478E+01 -8.7671E+00
 -2.6555E+03  6.2313E+02  1.1157E+03
HC            4367    1.008000    0.040000
 -8.6751E+00 -3.3505E+00 -5.1490E+00
 -4.2676E+00  2.8025E+00 -1.1577E+01
 -3.1886E+03  1.0334E+03 -5.4112E+03
HC            4368    1.008000    0.040000
 -7.3439E+00 -4.2843E+00 -4.9262E+00
 -2.0359E+01 -2.2400E+01  7.6760E+00
 -3.5922E+02 -2.2253E+03 -9.0613E+02
CT            4369   12.011000    0.145000
 -1.6118E+01  6.1274E+00 -6.1911E-01
  1.0543E+00  4.0330E+00 -4.4278E+00
 -1.4694E+03  7.1862E+03 -8.9430E+03
OH            4370    0.000000   -0.683000
 -1.5912E+01  5.0681E+00 -1.5264E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4371    1.008000    0.418000
 -1.5441E+01  4.4685E+00 -9.6844E-01
  9.0577E+00  3.6568E+00 -3.5281E+00
  1.4105E+03 -1.2668E+03 -2.6593E+03
HC            4372    1.008000    0.040000
 -1.5172E+01  6.6661E+00 -5.6990E-01
 -3.8217E+00  1.1650E+01  2.3779E+01
 -1.0510E+03  8.9797E+02  1.6288E+03
HC            4373    1.008000    0.040000
 -1.6504E+01  6.0445E+00  3.9723E-01
 -7.3233E+00 -4.2460E+00 -8.1273E+00
  1.0071E+03 -4.4451E+03 -8.0946E+02
HC            4374    1.008000    0.040000
 -1.6947E+01  6.6794E+00 -1.0634E+00
 -3.9844E+01 -3.6583E+01  1.3180E+01
  2.7324E+03 -5.1036E+02  1.1790E+03
CT            4375   12.011000    0.145000
 -1.0728E+01 -1.6532E+00 -1.6756E+01
  2.5777E+00  9.2114E-01 -6.2797E+00
 -3.8713E+03 -1.7021E+03 -8.6743E+03
OH            4376    0.000000   -0.683000
 -1.0260E+01 -2.9830E+00 -1.6752E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4377    1.008000    0.418000
 -1.0998E+01 -3.4942E+00 -1.7045E+01
 -5.8856E+00  1.2849E+01 -8.4990E+00
 -1.0152E+03  1.3667E+03  9.2043E+02
HC            4378    1.008000    0.040000
 -1.1521E+01 -1.3921E+00 -1.6055E+01
  2.0114E+01 -9.6869E+00  1.8989E+01
  2.7679E+03 -5.4709E+02  2.0845E+03
HC            4379    1.008000    0.040000
 -1.1310E+01 -1.6759E+00 -1.7678E+01
 -6.8937E-02 -1.4040E+01 -4.4957E+00
 -1.2690E+03 -1.6020E+03  5.5697E+01
HC            4380    1.008000    0.040000
 -1.0128E+01 -8.8055E-01 -1.7237E+01
 -1.2814E-01 -1.1474E+01 -3.1245E+01
  2.8914E+03 -8.3469E+02  5.2688E+03
CT            4381   12.011000    0.145000
 -2.7315E+00 -1.5310E+01  8.5540E-01
 -2.1843E+00  1.1963E+00  9.8235E-02
 -6.8477E+03  5.2368E+03 -1.1616E+03
OH            4382    0.000000   -0.683000
 -2.1831E+00 -1.4390E+01  1.7717E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4383    1.008000    0.418000
 -2.5874E+00 -1.3544E+01  1.6515E+00
  4.0072E+01  2.1423E+01 -1.2293E+00
  3.4691E+03 -7.7614E+01  7.8012E+02
HC            4384    1.008000    0.040000
 -2.7728E+00 -1.4929E+01 -1.6499E-01
 -3.0495E+01 -1.4091E+01 -5.5078E+00
  1.0913E+03 -2.9732E+02  7.8127E+02
HC            4385    1.008000    0.040000
 -3.7803E+00 -1.5395E+01  1.1397E+00
  1.0363E+01 -1.7188E+01  5.2165E+01
  2.4519E+03 -2.8865E+02  7.6839E+02
HC            4386    1.008000    0.040000
 -2.4006E+00 -1.6348E+01  8.1608E-01
  3.0556E+00  1.1479E+00  2.6733E+01
  2.6972E+03  1.7989E+03  2.5418E+03
CT            4387   12.011000    0.145000
 -1.1942E+01 -3.4215E+00 -1.3121E+01
  7.0800E+00  1.0813E+01  3.0183E+00
  1.7684E+03 -2.0392E+03  5.9277E+03
OH            4388    0.000000   -0.683000
 -1.0757E+01 -4.1439E+00 -1.3371E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4389    1.008000    0.418000
 -1.0110E+01 -3.4596E+00 -1.3300E+01
  2.3347E+00 -6.7340E-01 -1.2494E+01
  2.0808E+03 -2.1314E+03 -3.7543E+02
HC            4390    1.008000    0.040000
 -1.1892E+01 -3.2328E+00 -1.2049E+01
  3.8346E+00 -4.5225E+00  6.1060E+00
 -1.2454E+03  2.1619E+03 -2.2700E+02
HC            4391    1.008000    0.040000
 -1.2701E+01 -4.1942E+00 -1.3244E+01
  1.1592E+00  1.6657E+01  2.2627E+00
 -2.9517E+03  3.2469E+03 -2.1477E+03
HC            4392    1.008000    0.040000
 -1.1876E+01 -2.5272E+00 -1.3741E+01
  4.8563E+00  7.1505E+00 -2.5868E+00
 -4.2968E+03 -6.3567E+02 -6.1722E+02
CT            4393   12.011000    0.145000
  9.5952E+00 -1.3442E+01 -1.7579E+01
 -2.0173E+00 -6.4292E-01  3.5169E-01
 -4.0467E+03 -1.9847E+03  1.7581E+03
OH            4394    0.000000   -0.683000
  9.3682E+00 -1.2293E+01 -1.6793E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4395    1.008000    0.418000
  8.4805E+00 -1.2278E+01 -1.6470E+01
 -1.3407E+00 -2.2754E+01 -9.6220E-01
 -7.5103E+02 -3.3361E+03 -2.6516E+03
HC            4396    1.008000    0.040000
  9.1626E+00 -1.3486E+01 -1.8578E+01
 -1.3865E+01 -1.6041E+01  5.7444E+00
  2.3202E+03  2.2452E+03 -3.8652E+02
HC            4397    1.008000    0.040000
  8.9541E+00 -1.4192E+01 -1.7115E+01
 -6.2825E+00  6.8371E+00  6.7935E+00
  3.2692E+03 -2.1922E+03  1.3337E+03
HC            4398    1.008000    0.040000
  1.0659E+01 -1.3667E+01 -1.7502E+01
 -5.0928E+00 -1.7622E+01 -2.6647E+00
 -7.8118E+02 -2.3090E+03 -1.9705E+03
CT            4399   12.011000    0.145000
  4.2500E+00 -9.9909E+00 -1.0930E+01
  6.5925E-01  3.5350E+00 -1.3331E+00
 -5.6751E+02 -4.5338E+03  2.2951E+03
OH            4400    0.000000   -0.683000
  5.5981E+00 -1.0334E+01 -1.1160E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4401    1.008000    0.418000
  6.0830E+00 -9.5227E+00 -1.1137E+01
  9.4849E+00 -4.2941E+00 -2.2020E+01
 -1.0538E+03 -6.7632E+02  3.6145E+03
HC            4402    1.008000    0.040000
  3.9577E+00 -8.9861E+00 -1.1235E+01
  6.0250E+00  6.0560E+00  1.6862E+00
  1.1676E+02 -1.2607E+03 -2.5395E+03
HC            4403    1.008000    0.040000
  3.9983E+00 -1.0027E+01 -9.8698E+00
  1.4362E+01  2.0021E+01  2.9379E+00
  1.7541E+03  5.4945E+02  3.4378E+02
HC            4404    1.008000    0.040000
  3.6056E+00 -1.0759E+01 -1.1358E+01
 -7.3625E+00  6.9433E+00  4.3736E+00
 -4.1086E+02  9.7172E+02 -1.3952E+03
CT            4405   12.011000    0.145000
  1.2864E+01 -4.8805E+00  3.6310E+00
 -7.5154E-01  1.9899E-02  4.0570E-01
 -4.0238E+03 -9.9080E+00 -2.6131E+03
OH            4406    0.000000   -0.683000
  1.2845E+01 -6.2900E+00  3.6636E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4407    1.008000    0.418000
  1.2248E+01 -6.6088E+00  4.3233E+00
 -3.5937E+00 -8.4969E+00 -7.1489E+00
 -6.6204E+02  1.6521E+03 -8.4831E+01
HC            4408    1.008000    0.040000
  1.2597E+01 -4.4149E+00  4.5798E+00
  2.5295E+00  8.3080E+00 -2.6443E+00
  2.3794E+03  2.4048E-01  4.6261E+02
HC            4409    1.008000    0.040000
  1.2037E+01 -4.5738E+00  2.9899E+00
 -8.0690E+00 -5.4442E+00  7.0271E+00
 -6.0321E+02 -4.0553E+02  9.1742E+01
HC            4410    1.008000    0.040000
  1.3696E+01 -4.3830E+00  3.1331E+00
 -1.7088E+01  2.5190E+01 -3.5953E+00
  5.0521E+02 -1.2667E+03  2.2598E+03
CT            4411   12.011000    0.145000
 -5.7373E+00  6.5564E+00 -1.4882E+01
  1.5149E+00  4.1664E+00  1.4460E-01
  2.8392E+03  3.9986E+03  4.0854E+03
OH            4412    0.000000   -0.683000
 -6.9888E+00  6.9899E+00 -1.4399E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4413    1.008000    0.418000
 -6.9282E+00  7.6508E+00 -1.3726E+01
  3.9775E+01  2.8897E+00 -4.0312E+00
  4.9975E+03 -1.3456E+03 -4.4491E+02
HC            4414    1.008000    0.040000
 -4.9962E+00  6.3960E+00 -1.4099E+01
  7.1898E+00 -8.6275E+00 -7.5212E+00
 -1.2416E+03 -2.1338E+03  9.8150E+02
HC            4415    1.008000    0.040000
 -5.2023E+00  7.3491E+00 -1.5405E+01
 -1.5419E+00  2.6677E+00 -5.3355E+00
 -1.9577E+03 -3.4602E+02 -2.9943E+03
HC            4416    1.008000    0.040000
 -5.8612E+00  5.6418E+00 -1.5462E+01
 -1.0386E+01  1.0807E+01 -8.2267E+00
  9.2241E+02  9.7652E+02 -3.7959E+02
CT            4417   12.011000    0.145000
  1.1321E+01 -1.0767E+01 -2.3570E+00
  2.8139E+00  5.4293E+00 -8.5763E+00
 -2.4246E+03 -2.9295E+00  2.4747E+02
OH            4418    0.000000   -0.683000
  1.0675E+01 -1.1727E+01 -3.1634E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4419    1.008000    0.418000
  1.0079E+01 -1.2228E+01 -2.6280E+00
  6.5811E+00  2.6796E-01  7.7755E+00
 -3.5854E+02  7.4972E+02  9.3664E+01
HC            4420    1.008000    0.040000
  1.1829E+01 -1.0120E+01 -3.0714E+00
 -9.1701E+00  1.5273E+01 -8.5099E+00
  2.2013E+03  6.1083E+02  2.7897E+03
HC            4421    1.008000    0.040000
  1.1899E+01 -1.1302E+01 -1.6032E+00
 -4.2735E+00  1.4799E+01  3.8923E+00
  1.5864E+03  1.7818E+03 -5.0956E+02
HC            4422    1.008000    0.040000
  1.0581E+01 -1.0187E+01 -1.8062E+00
  1.5506E-02 -9.5260E+00  4.1289E+00
 -3.7171E+02 -7.2199E+02 -9.4964E+01
CT            4423   12.011000    0.145000
  9.1081E+00  6.7595E+00  1.1690E+01
 -1.1651E+00  2.5254E+00  2.1793E+00
 -2.9106E+03  3.2667E+03  3.6541E+03
OH            4424    0.000000   -0.683000
  9.6908E+00  6.0821E+00  1.2781E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4425    1.008000    0.418000
  9.1402E+00  6.0943E+00  1.3549E+01
  1.4373E+01 -4.1657E+00  1.0815E+01
  5.5614E+02  8.8128E+02 -4.5089E+01
HC            4426    1.008000    0.040000
  9.7017E+00  6.8231E+00  1.0778E+01
 -3.0593E-01  1.2035E+01  3.3002E+00
  7.8440E+01 -8.0801E+02  5.8879E+02
HC            4427    1.008000    0.040000
  9.0270E+00  7.7759E+00  1.2076E+01
 -3.4032E+00  8.8970E+00 -1.4275E+01
 -7.3061E+02  1.0130E+03 -2.1300E+03
HC            4428    1.008000    0.040000
  8.0812E+00  6.4209E+00  1.1553E+01
 -6.0193E+00  3.1442E+00  3.0793E+01
  1.0309E+03 -4.1919E+02 -4.6203E+02
CT            4429   12.011000    0.145000
  3.5750E+00 -2.8677E+00 -7.7040E+00
  4.3887E+00  6.9984E+00  2.2645E+00
  3.1114E+03  4.0701E+03 -1.5243E+03
OH            4430    0.000000   -0.683000
  4.7698E+00 -3.6155E+00 -7.7411E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4431    1.008000    0.418000
  5.0439E+00 -3.6427E+00 -8.6451E+00
 -6.5157E+00  2.1107E+01 -3.1632E+00
  5.2708E+02  8.8748E+02  6.3239E+02
HC            4432    1.008000    0.040000
  3.4478E+00 -2.1562E+00 -6.8882E+00
 -1.3875E+01 -1.0452E+01  1.5637E+01
  1.9885E+03 -2.4471E+03  1.7358E+03
HC            4433    1.008000    0.040000
  2.6319E+00 -3.4129E+00 -7.6662E+00
  4.6997E+00  6.8865E+00  9.9642E+00
  1.4609E+03 -1.6135E+03 -4.7964E+02
HC            4434    1.008000    0.040000
  3.5048E+00 -2.2235E+00 -8.5805E+00
 -5.1899E+00 -1.5935E+01 -1.4865E+01
  6.7739E+02 -1.8691E+03 -1.0072E+03
CT            4435   12.011000    0.145000
 -1.8104E+01  1.1790E+01 -1.2694E+01
 -5.9795E-01  1.6137E+00 -5.4595E-01
 -8.4582E+01  1.1763E+03 -2.7079E+03
OH            4436    0.000000   -0.683000
 -1.6814E+01  1.2329E+01 -1.2511E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4437    1.008000    0.418000
 -1.6284E+01  1.2160E+01 -1.3275E+01
 -1.2757E+01  1.6329E+01 -1.3262E+01
 -2.4718E+03 -1.2232E+03 -7.3832E+02
HC            4438    1.008000    0.040000
 -1.8749E+01  1.2397E+01 -1.3330E+01
 -1.6018E+01 -1.2086E+01  1.3482E+00
  4.2456E+02 -4.2832E+02 -4.8677E+02
HC            4439    1.008000    0.040000
 -1.8561E+01  1.1710E+01 -1.1708E+01
  7.3478E+00 -2.0571E+01  1.8775E+00
 -1.8848E+02 -1.5051E+03 -8.8992E+02
HC            4440    1.008000    0.040000
 -1.7909E+01  1.0830E+01 -1.3172E+01
 -2.0481E+00 -1.4083E+00  4.8464E+00
 -2.6434E+03 -1.1563E+03  1.2177E+03
CT            4441   12.011000    0.145000
 -3.9994E+00  1.6947E+01  4.8300E+00
  2.0740E+00 -3.9758E+00 -4.8412E-01
  2.2458E+03  1.6618E+03  4.7503E+03
OH            4442    0.000000   -0.683000
 -2.9373E+00  1.7587E+01  4.1597E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4443    1.008000    0.418000
 -3.3771E+00  1.7788E+01  3.3477E+00
 -6.3367E+00  4.3090E+01  1.1560E+01
  4.6322E+03  1.0618E+03  2.3384E+02
HC            4444    1.008000    0.040000
 -3.8710E+00  1.7123E+01  5.8980E+00
  1.3726E+01 -3.3589E+01  3.9668E+00
  6.3964E+02 -1.8783E+03 -6.9758E+01
HC            4445    1.008000    0.040000
 -3.9410E+00  1.5865E+01  4.7110E+00
  8.0477E+00 -6.9596E+00  2.4118E+01
 -2.5741E+02  3.3646E+02  2.4105E+03
HC            4446    1.008000    0.040000
 -5.0283E+00  1.7237E+01  4.6175E+00
 -1.9447E+00 -1.5514E+01  2.4683E+00
  1.2288E+03  1.1736E+03 -1.9695E+03
CT            4447   12.011000    0.145000
 -2.0004E+00 -1.5495E+01 -3.8593E+00
  4.4656E+00 -4.6801E+00  3.5618E+00
 -4.8636E+03 -3.4046E+03  1.4506E+03
OH            4448    0.000000   -0.683000
 -1.9241E+00 -1.6293E+01 -5.0191E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4449    1.008000    0.418000
 -1.3536E+00 -1.5819E+01 -5.6049E+00
 -1.7599E+01  2.0580E+01 -1.7535E+00
  1.7118E+03 -3.3895E+03  9.3758E+02
HC            4450    1.008000    0.040000
 -2.0393E+00 -1.4457E+01 -4.1892E+00
 -3.3923E+01  1.5993E+00  2.2213E+01
  2.5768E+02 -5.4879E+02  4.3801E+03
HC            4451    1.008000    0.040000
 -1.3458E+00 -1.5854E+01 -3.0655E+00
  5.0955E+00  6.1196E+00  8.1103E+00
  3.0411E+03  3.8627E+03 -8.7864E+02
HC            4452    1.008000    0.040000
 -2.9949E+00 -1.5791E+01 -3.5260E+00
 -9.1897E+00  2.4842E+01 -7.3720E+00
 -9.9157E+02  4.4416E+03  5.9945E+02
CT            4453   12.011000    0.145000
  1.6843E+01  3.6010E+00  1.9016E+01
  3.8672E-01  3.4345E+00 -2.8625E+00
  6.8326E+02 -4.0841E+02  5.1749E+02
OH            4454    0.000000   -0.683000
  1.7418E+01  2.7357E+00  1.8063E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4455    1.008000    0.418000
  1.7202E+01  1.8182E+00  1.8131E+01
  2.4599E+00 -1.3233E+00 -8.7886E+00
 -1.1898E+03  6.4583E+02  2.1507E+03
HC            4456    1.008000    0.040000
  1.5754E+01  3.6138E+00  1.9001E+01
  2.4509E-01  1.5343E+01  4.5623E+00
  2.4477E+02  1.8860E+02 -2.5128E+02
HC            4457    1.008000    0.040000
  1.7222E+01  4.5863E+00  1.8745E+01
  9.4248E+00  9.2402E-01  2.8052E-01
 -8.6733E+02  6.3034E+02  1.6300E+03
HC            4458    1.008000    0.040000
  1.7153E+01  3.3144E+00  2.0021E+01
 -1.1443E+01 -1.7158E+01 -4.5248E+00
 -1.0035E+02  3.2969E+02 -3.9270E+02
CT            4459   12.011000    0.145000
 -2.5933E+00 -6.4282E+00  3.5387E+00
 -1.3812E+00 -2.5877E+00 -9.5714E-01
  1.2533E+03  3.5706E+03  1.0329E+03
OH            4460    0.000000   -0.683000
 -3.3502E+00 -6.4604E+00  4.7279E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4461    1.008000    0.418000
 -2.8742E+00 -5.9267E+00  5.3456E+00
  8.2400E+00 -1.9932E+01  1.1852E+01
 -1.2326E+03 -1.5331E+03  1.5152E+03
HC            4462    1.008000    0.040000
 -2.6178E+00 -5.3504E+00  3.3785E+00
  4.4504E+00  1.1014E+00  1.9946E+01
  4.3570E+01 -1.0571E+03 -3.6835E+03
HC            4463    1.008000    0.040000
 -2.9940E+00 -7.0828E+00  2.7648E+00
 -1.1940E+00 -1.1435E+01  6.2600E+00
 -1.1873E+02  1.1206E+03 -2.6875E+02
HC            4464    1.008000    0.040000
 -1.5409E+00 -6.6454E+00  3.7216E+00
 -2.4898E+00 -2.9927E+00  5.1539E+00
 -1.7037E+02 -1.0306E+03 -1.5516E+02
CT            4465   12.011000    0.145000
 -1.8379E+01 -1.4121E-01 -1.8110E+01
  3.5546E+00 -1.1381E+00  8.7203E-01
  1.0360E+03 -5.9264E+02  7.8857E+02
OH            4466    0.000000   -0.683000
 -1.8722E+01 -1.4646E+00 -1.8455E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4467    1.008000    0.418000
 -1.9209E+01 -1.2945E+00 -1.9247E+01
  1.0011E+01 -3.7940E-01 -6.4120E+00
 -2.5758E+02 -2.0277E+03 -8.0348E+01
HC            4468    1.008000    0.040000
 -1.9326E+01  3.4308E-01 -1.7872E+01
  2.5750E+00 -6.1186E-01 -3.9886E+00
  6.5976E+02  2.1456E+03 -2.1196E+03
HC            4469    1.008000    0.040000
 -1.7821E+01  2.5584E-01 -1.8958E+01
  8.9874E+00  1.4385E+01  1.1273E+01
 -2.0598E+03  2.4975E+03  1.8426E+02
HC            4470    1.008000    0.040000
 -1.7733E+01  5.8489E-02 -1.7255E+01
 -6.3064E-01  4.5445E+00  2.7704E+00
  6.6105E+02 -2.7986E+03  1.0916E+02
CT            4471   12.011000    0.145000
  1.3865E+01 -4.4334E+00 -7.1811E+00
  2.6157E+00  3.3665E-01  2.4446E+00
 -3.3643E+03 -4.4908E+02  7.1625E+03
OH            4472    0.000000   -0.683000
  1.3668E+01 -3.0373E+00 -7.1677E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4473    1.008000    0.418000
  1.3529E+01 -2.7595E+00 -8.0602E+00
  1.6283E+01 -1.6377E+01 -8.3090E+00
  9.6897E+02 -1.6375E+03 -1.6970E+02
HC            4474    1.008000    0.040000
  1.3512E+01 -4.6128E+00 -6.1654E+00
 -5.2929E+00  5.8758E+00  7.7164E-01
  1.4341E+03 -2.1197E+03  6.2072E+02
HC            4475    1.008000    0.040000
  1.4932E+01 -4.6543E+00 -7.1743E+00
  3.8996E+00  6.4142E+00  6.4110E+00
 -1.0524E+03 -2.8153E+03 -3.2943E+03
HC            4476    1.008000    0.040000
  1.3139E+01 -4.9599E+00 -7.8010E+00
  2.4397E+01  6.4721E-01 -2.5327E+01
  3.9657E+03 -7.5552E+02 -2.8540E+03
CT            4477   12.011000    0.145000
  1.8166E+01 -1.9754E+01  1.6020E+01
 -4.9161E+00  1.7043E+00  3.7566E-01
 -9.2967E+01  1.4928E+03  1.1087E+03
OH            4478    0.000000   -0.683000
  1.8430E+01 -1.8789E+01  1.5026E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4479    1.008000    0.418000
  1.8625E+01 -1.9241E+01  1.4219E+01
  1.0760E+01  3.0118E-01  2.2910E+00
 -2.9625E+02 -1.8759E+02  1.9852E+02
HC            4480    1.008000    0.040000
  1.7381E+01 -1.9450E+01  1.6712E+01
 -2.4519E+01 -1.6706E+01 -1.2469E+01
  6.5438E+02  3.9370E+02 -6.2060E+02
HC            4481    1.008000    0.040000
  1.9093E+01 -1.9913E+01  1.6570E+01
 -8.7018E+00 -2.1128E+01  1.1281E+00
 -6.8911E+02 -1.4473E+03  7.3548E+01
HC            4482    1.008000    0.040000
  1.7847E+01  2.0161E+01  1.5679E+01
  1.3650E+01 -1.0888E+01  1.7119E+01
  8.8417E+02  8.7025E+02 -5.2968E+02
CT            4483   12.011000    0.145000
  1.7689E+01 -1.7791E+01  8.9585E+00
 -2.6900E+00 -7.1302E-01 -7.5693E+00
 -2.5996E+03 -2.0488E+03  1.8434E+02
OH            4484    0.000000   -0.683000
  1.8363E+01 -1.9025E+01  8.8439E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4485    1.008000    0.418000
  1.8927E+01 -1.8956E+01  8.0891E+00
  1.2436E+01  1.8326E+00  9.1442E+00
  1.3243E+03 -2.3018E+03  1.0088E+03
HC            4486    1.008000    0.040000
  1.6981E+01 -1.7653E+01  8.1416E+00
  4.0377E-01 -1.9803E+01 -1.3998E+01
  1.8989E+03  4.5227E+02 -1.1979E+03
HC            4487    1.008000    0.040000
  1.8428E+01 -1.6990E+01  8.9861E+00
 -3.3616E+00  1.3376E+00 -3.0269E+01
 -1.9845E+03  6.7226E+02  9.2220E+02
HC            4488    1.008000    0.040000
  1.6944E+01 -1.7827E+01  9.7531E+00
 -1.0119E+01  1.3850E+01 -1.3498E+01
  2.3697E+03  1.0638E+03  2.0190E+03
CT            4489   12.011000    0.145000
  9.6350E-01 -3.9640E+00 -1.6593E+01
 -7.9331E-01 -1.7463E+00 -7.7712E+00
 -1.6389E+03  1.0739E+03  5.9420E+03
OH            4490    0.000000   -0.683000
  4.0819E-01 -2.6871E+00 -1.6815E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4491    1.008000    0.418000
  9.4154E-02 -2.7148E+00 -1.7706E+01
 -7.8052E+00  2.1245E+01  1.5125E+00
 -1.6864E+03  4.0672E+03  6.4258E+02
HC            4492    1.008000    0.040000
  1.6923E+00 -4.4595E+00 -1.7235E+01
 -2.4123E+00  2.3025E+00 -1.2807E+01
 -1.0657E+03  3.6669E+03 -3.3818E+03
HC            4493    1.008000    0.040000
  1.4423E-01 -4.6641E+00 -1.6430E+01
 -1.7650E+00  2.4609E+00  6.7815E+00
 -1.4141E+03  1.6024E+03 -1.4403E+03
HC            4494    1.008000    0.040000
  1.3982E+00 -4.1429E+00 -1.5610E+01
 -2.0867E+01 -1.5781E+01 -7.9102E-01
 -4.5042E+02  3.6894E+03  4.1863E+02
CT            4495   12.011000    0.145000
 -1.8704E+01  8.6647E+00  6.6580E+00
 -3.6509E+00  4.3304E+00  1.9269E+00
  2.4636E+03 -1.7232E+03 -1.6077E+03
OH            4496    0.000000   -0.683000
 -1.7630E+01  9.2499E+00  7.3594E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4497    1.008000    0.418000
 -1.7995E+01  9.9459E+00  7.8839E+00
  1.2767E+01 -1.3727E+00  1.1277E+01
  2.0174E+03  6.2020E+02  2.1320E+02
HC            4498    1.008000    0.040000
 -1.9599E+01  8.9376E+00  7.2169E+00
 -3.1302E+00 -9.9462E+00  1.0220E+01
 -1.0235E+03 -2.2209E+03 -1.4832E+03
HC            4499    1.008000    0.040000
 -1.8440E+01  7.6084E+00  6.7114E+00
 -7.4099E+00  2.1305E+00 -1.6387E+01
 -3.2671E+03 -7.0910E+02 -1.7919E+02
HC            4500    1.008000    0.040000
 -1.8657E+01  8.8153E+00  5.5794E+00
  2.2868E+01 -3.6985E+01 -4.9680E+00
 -9.5807E+02  9.5241E+02  2.6365E+03
CT            4501   12.011000    0.145000
 -5.0771E+00  2.6000E+00  2.0037E+01
 -2.3550E-02 -1.8867E+00 -2.5112E-02
 -3.4097E+01 -3.5094E+02 -3.5395E+00
OH            4502    0.000000   -0.683000
 -6.4402E+00  2.6141E+00  2.0398E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4503    1.008000    0.418000
 -6.7149E+00  1.8704E+00  1.9883E+01
  3.6299E+01 -4.6679E-02 -2.2907E+01
 -1.4909E+02  1.2849E+03  2.3136E+03
HC            4504    1.008000    0.040000
 -4.6417E+00  3.5033E+00 -2.0436E+01
  4.7664E+00  4.7782E-01 -9.6256E+00
  3.6828E+03 -1.6676E+03 -4.8173E+02
HC            4505    1.008000    0.040000
 -5.0131E+00  2.7214E+00  1.8956E+01
 -9.4978E+00  1.9057E+01  1.2761E+00
  1.0749E+03 -8.0290E+02  5.6941E+02
HC            4506    1.008000    0.040000
 -4.6232E+00  1.6948E+00  2.0441E+01
 -2.3328E+01 -4.6282E+00  2.2689E+01
 -1.6091E+02  9.5237E+02 -3.6071E+02
CT            4507   12.011000    0.145000
  5.3693E+00  1.5344E+01  6.2714E+00
  6.2740E-01  6.9325E+00  1.3471E+00
  1.2049E+03 -4.8909E+03 -1.5915E+03
OH            4508    0.000000   -0.683000
  6.2239E+00  1.5050E+01  7.3534E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4509    1.008000    0.418000
  5.8645E+00  1.5557E+01  8.0648E+00
 -2.7000E+01 -3.1194E+00 -1.0228E+01
 -1.1666E+03 -5.3789E+02 -1.1553E+03
HC            4510    1.008000    0.040000
  5.9359E+00  1.5053E+01  5.3868E+00
  9.4387E+00  2.2398E+01  1.5470E+00
 -9.4352E+02  1.0849E+03 -9.8666E+02
HC            4511    1.008000    0.040000
  5.0985E+00  1.6400E+01  6.2423E+00
 -1.0949E+01  4.0717E+00  3.7237E-01
 -7.3351E+02 -7.4720E+02 -1.0945E+03
HC            4512    1.008000    0.040000
  4.5410E+00  1.4653E+01  6.4262E+00
  2.5435E+00  6.3440E+00  9.4141E+00
 -2.0763E+03  2.2115E+03 -1.0107E+03
CT            4513   12.011000    0.145000
 -4.9666E+00 -9.9892E+00  1.1551E+01
  4.3854E+00 -3.9970E-01 -2.6522E+00
  9.6342E+02  2.4431E+03 -2.6604E+00
OH            4514    0.000000   -0.683000
 -4.2560E+00 -1.0143E+01  1.2759E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4515    1.008000    0.418000
 -4.1759E+00 -1.1073E+01  1.2905E+01
  1.5279E+01  7.3702E-01 -2.0486E+00
  1.7628E+03  5.7113E+02  1.6018E+03
HC            4516    1.008000    0.040000
 -4.6702E+00 -1.0715E+01  1.0794E+01
  3.0910E+00 -2.2725E+01  1.7080E+01
 -1.7755E+03 -2.0715E+03  2.1683E+03
HC            4517    1.008000    0.040000
 -4.7468E+00 -9.0302E+00  1.1082E+01
  1.8012E+01  6.5945E+00  1.6727E+01
 -4.5555E+02  1.0775E+03  2.4745E+03
HC            4518    1.008000    0.040000
 -6.0296E+00 -1.0009E+01  1.1791E+01
 -3.9761E+00  3.8315E-01 -3.4945E+01
  1.0343E+02 -1.3363E+03 -3.1337E+03
CT            4519   12.011000    0.145000
 -8.7144E+00  1.7394E+01 -3.7155E+00
  3.8940E-01 -2.3226E-01  4.7800E-01
 -1.0106E+03  6.7316E+02 -3.1140E+02
OH            4520    0.000000   -0.683000
 -9.5203E+00  1.6241E+01 -3.6200E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4521    1.008000    0.418000
 -8.9679E+00  1.5493E+01 -3.4539E+00
  9.5383E+00  5.9968E+00 -3.8424E+00
  3.1944E+03  2.7064E+03  1.4674E+03
HC            4522    1.008000    0.040000
 -7.9196E+00  1.7196E+01 -4.4345E+00
  8.5118E-01  1.9579E+01 -5.0734E+00
  3.6622E+02  1.3467E+03  5.9155E+02
HC            4523    1.008000    0.040000
 -8.3862E+00  1.7538E+01 -2.6860E+00
  5.6957E+00 -8.4611E+00  2.7805E-02
  1.5294E+03  3.2466E+03 -1.1735E+03
HC            4524    1.008000    0.040000
 -9.3882E+00  1.8145E+01 -4.1279E+00
  1.9897E-01 -1.1210E-01  1.0071E+00
  1.5160E+03  2.2301E+03  1.3545E+03
CT            4525   12.011000    0.145000
  1.2537E+01  5.4134E+00  1.1787E+01
 -9.2103E+00  2.6211E+00 -2.2477E+00
  2.2852E+03 -3.2193E+03  8.8236E+02
OH            4526    0.000000   -0.683000
  1.2134E+01  5.0861E+00  1.3098E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4527    1.008000    0.418000
  1.1240E+01  5.3876E+00  1.3062E+01
 -3.7774E+00 -1.1736E+01 -2.1280E+01
 -1.2259E+02 -1.8732E+03 -1.5463E+03
HC            4528    1.008000    0.040000
  1.2026E+01  6.2654E+00  1.1338E+01
 -9.6790E+00 -2.1793E+00 -1.1064E+01
  7.1216E+02  2.4921E+02  7.7952E+02
HC            4529    1.008000    0.040000
  1.2323E+01  4.5714E+00  1.1128E+01
 -5.5838E+00  1.5035E+01 -2.0035E+01
  1.1199E+02  7.3308E+02 -5.8317E+02
HC            4530    1.008000    0.040000
  1.3617E+01  5.5558E+00  1.1836E+01
 -7.9211E+00 -9.6640E+00  3.2198E+01
 -1.1337E+03 -2.9450E+01 -2.0513E+02
CT            4531   12.011000    0.145000
  2.9717E+00 -2.7197E+00  7.4675E+00
 -7.7436E+00 -3.8055E+00 -3.0151E+00
  3.5030E+03 -1.9424E+03 -3.4413E+03
OH            4532    0.000000   -0.683000
  2.8678E+00 -1.7105E+00  6.4883E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4533    1.008000    0.418000
  2.2355E+00 -1.0954E+00  6.8273E+00
  5.1511E+00  5.7034E+00 -5.6387E-01
  5.2167E+01 -1.2236E+03  2.0165E+03
HC            4534    1.008000    0.040000
  3.6527E+00 -3.4889E+00  7.1032E+00
 -2.4306E+00 -3.3816E+00  5.7339E+00
 -1.3602E+03 -1.5637E+03 -2.8759E+01
HC            4535    1.008000    0.040000
  1.9836E+00 -3.1665E+00  7.5775E+00
  6.4638E-01 -1.8736E+01  1.8617E+01
  1.0560E+03  2.6057E+02  4.8625E+03
HC            4536    1.008000    0.040000
  3.5028E+00 -2.3196E+00  8.3312E+00
 -1.4109E+01  1.0979E+01 -5.6428E+00
 -3.8586E+03  1.3362E+02  1.8822E+03
CT            4537   12.011000    0.145000
  5.3973E+00  8.9297E+00  1.1773E+01
  4.1298E+00  2.9522E+00 -1.7656E+00
  3.1347E+03 -1.5247E+03  9.3950E+02
OH            4538    0.000000   -0.683000
  5.4490E+00  9.5915E+00  1.3017E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4539    1.008000    0.418000
  6.2936E+00  1.0007E+01  1.3099E+01
 -2.0687E+00  3.1880E+00  5.7398E+00
  5.5275E+02 -1.2464E+03 -3.4429E+02
HC            4540    1.008000    0.040000
  5.4712E+00  9.5311E+00  1.0867E+01
 -1.0240E+01  1.5625E+01  5.0175E+00
 -1.0694E+03  2.1985E+03  1.7313E+03
HC            4541    1.008000    0.040000
  4.4933E+00  8.3239E+00  1.1712E+01
  9.0649E+00 -5.4899E+00  6.3124E+00
  4.8700E+02 -1.2523E+02 -4.1167E+02
HC            4542    1.008000    0.040000
  6.2691E+00  8.2764E+00  1.1736E+01
  9.7706E+00  7.5472E+00  2.6553E+01
 -1.1364E+03 -8.7035E+02  1.2708E+03
CT            4543   12.011000    0.145000
  1.7622E+01  8.7861E+00  1.1197E+01
 -9.6062E+00 -2.1055E+00  6.5354E+00
 -1.5646E+03  2.3097E+03 -2.2557E+02
OH            4544    0.000000   -0.683000
  1.6831E+01  8.8466E+00  1.0032E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4545    1.008000    0.418000
  1.6812E+01  9.7730E+00  9.8458E+00
 -1.4829E+01 -7.1513E-01 -3.3320E+00
 -1.4236E+03 -3.8235E+02 -1.0075E+03
HC            4546    1.008000    0.040000
  1.7648E+01  7.7678E+00  1.1585E+01
 -1.4643E+00 -8.4729E+00 -9.7696E+00
  1.3314E+03  1.5085E+02 -9.3378E+02
HC            4547    1.008000    0.040000
  1.7110E+01  9.4598E+00  1.1884E+01
 -1.5283E+01 -1.0970E+01  1.1190E+01
  1.6920E+03 -4.0677E+02  1.7334E+03
HC            4548    1.008000    0.040000
  1.8591E+01  9.1720E+00  1.0881E+01
 -1.2587E+01 -1.1850E+00 -1.7196E+00
  6.9811E+02 -8.1755E+02  1.8012E+03
CT            4549   12.011000    0.145000
 -5.6783E+00 -1.5455E+01  5.0941E+00
  7.7786E-01 -6.5089E+00 -4.4191E-01
 -1.1041E+03 -2.4834E+03 -6.1789E+01
OH            4550    0.000000   -0.683000
 -5.9117E+00 -1.5571E+01  6.4798E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4551    1.008000    0.418000
 -5.9199E+00 -1.4704E+01  6.8564E+00
 -6.5444E+00 -1.4940E+00  3.4494E+00
 -6.1142E+02 -1.4775E+02  2.2563E+02
HC            4552    1.008000    0.040000
 -5.2974E+00 -1.6358E+01  4.6158E+00
 -1.1975E+01 -6.9338E+00 -1.0339E+01
  1.3403E+03  5.1413E+02  5.3387E+02
HC            4553    1.008000    0.040000
 -5.0710E+00 -1.4558E+01  4.9723E+00
 -2.2017E+01  7.0583E+00 -2.4862E+01
 -2.5213E+03  1.1087E+02 -3.4118E+03
HC            4554    1.008000    0.040000
 -6.7462E+00 -1.5447E+01  4.8761E+00
 -1.3590E+00  1.2512E+00  9.5508E+00
  1.1687E+03  5.0645E+03 -4.6249E+03
CT            4555   12.011000    0.145000
  7.2120E+00  3.5745E+00 -1.0170E+01
  1.4659E+00  2.0654E-01  1.3046E+00
 -5.0972E+03 -7.8034E+01 -3.4097E+03
OH            4556    0.000000   -0.683000
  7.5836E+00  4.7888E+00 -1.0783E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4557    1.008000    0.418000
  8.3221E+00  5.1390E+00 -1.0309E+01
 -4.3018E-01 -5.1017E+00  4.5379E+00
 -2.4903E+03  5.5922E+02  3.4057E+03
HC            4558    1.008000    0.040000
  7.8250E+00  2.9926E+00 -9.4818E+00
 -1.8558E+01 -2.7161E+01 -2.3061E+00
  1.2695E+03  2.3369E+03 -2.0854E+03
HC            4559    1.008000    0.040000
  6.8223E+00  2.9313E+00 -1.0959E+01
 -1.8090E+01  7.2466E+00  4.6618E+00
  3.2213E+03 -8.6682E+02 -3.9128E+02
HC            4560    1.008000    0.040000
  6.2440E+00  3.5606E+00 -9.6692E+00
  9.0223E+00 -1.2275E+01  1.6444E+01
  1.0575E+03  2.8126E+03  1.7728E+03
CT            4561   12.011000    0.145000
  6.6887E+00  6.0306E-01 -2.6203E+00
  3.9173E+00 -5.4344E+00 -4.8794E+00
  2.0956E+03  2.2609E+03 -1.9238E+03
OH            4562    0.000000   -0.683000
  7.8071E+00  6.5226E-01 -1.7631E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4563    1.008000    0.418000
  8.0041E+00  1.5424E+00 -1.5143E+00
  3.8076E+01 -8.5664E+00  6.8143E+00
  1.5562E+03 -1.5864E+03 -8.8453E+02
HC            4564    1.008000    0.040000
  6.7964E+00 -2.8015E-01 -3.2499E+00
 -2.5032E+00 -1.0501E+00 -1.2311E+01
 -2.3185E+03 -6.7593E+01 -1.1436E+02
HC            4565    1.008000    0.040000
  6.8639E+00  1.4707E+00 -3.2564E+00
  2.0858E+01 -6.9983E+00 -2.8085E+00
 -2.3940E+03 -1.8313E+02 -6.1473E+02
HC            4566    1.008000    0.040000
  5.7107E+00  7.1847E-01 -2.1530E+00
  3.9297E+00 -1.4191E+00 -5.8086E+00
  4.1630E+02 -1.3513E+03  6.1370E+02
CT            4567   12.011000    0.145000
  1.9806E+01 -3.4415E+00  3.1164E+00
  1.3331E+00  5.7476E-01 -1.3551E+00
 -4.4266E+03  8.0236E+01 -3.9014E+03
OH            4568    0.000000   -0.683000
  1.9541E+01 -2.0927E+00  3.4307E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4569    1.008000    0.418000
  1.9620E+01 -2.1140E+00  4.3722E+00
  7.6274E+00  9.9415E+00 -2.4826E-01
  1.8327E+03  3.1626E+03 -8.5449E+01
HC            4570    1.008000    0.040000
 -2.0123E+01 -3.8512E+00  3.3935E+00
 -1.4957E+00 -2.4040E-01  7.6832E+00
  2.6122E+02  2.8852E+03  1.4726E+03
HC            4571    1.008000    0.040000
  1.9657E+01 -3.6858E+00  2.0647E+00
  4.7667E+00  7.9288E+00 -3.6188E+00
  1.2980E+03  3.0753E+03 -1.3006E+03
HC            4572    1.008000    0.040000
  1.9049E+01 -4.1036E+00  3.5362E+00
  8.6867E+00  2.9921E+00  1.6637E+01
  6.5756E+02  1.0062E+03  2.7528E+03
CT            4573   12.011000    0.145000
 -1.9442E+01 -1.3798E+01 -8.4617E+00
  2.4631E+00 -1.1487E+00  3.3822E+00
 -1.6605E+03  4.9137E+02  1.6632E+03
OH            4574    0.000000   -0.683000
 -1.9030E+01 -1.2457E+01 -8.3120E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4575    1.008000    0.418000
 -1.8133E+01 -1.2413E+01 -8.6070E+00
  4.9815E+00  3.2554E+00  1.4770E+01
  3.0563E+01  1.6645E+03  9.6359E+02
HC            4576    1.008000    0.040000
  2.0373E+01 -1.3864E+01 -8.3779E+00
  1.6862E+00 -2.8783E+00 -6.7766E+00
 -2.2099E+02 -9.0385E+01 -1.5444E+03
HC            4577    1.008000    0.040000
 -1.9050E+01 -1.4368E+01 -7.6197E+00
  2.6435E+00 -2.9143E+00  2.1079E+00
  1.9055E+03 -1.7069E+03 -2.0014E+03
HC            4578    1.008000    0.040000
 -1.9119E+01 -1.4065E+01 -9.4677E+00
 -1.3207E+01 -5.4394E+00 -7.9127E-01
 -8.4310E+02 -3.2204E+03  1.0010E+03
CT            4579   12.011000    0.145000
 -1.0142E+01 -1.1107E+01 -5.6825E+00
 -2.3521E-01  1.0228E+00 -1.1808E+00
 -2.2778E+03 -1.8426E+03  1.8414E+03
OH            4580    0.000000   -0.683000
 -1.0059E+01 -1.2163E+01 -6.6122E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4581    1.008000    0.418000
 -9.2089E+00 -1.2561E+01 -6.5027E+00
 -1.0436E+01 -2.0627E+01  1.2379E+01
 -4.4934E+02  1.3227E+03  1.9000E+03
HC            4582    1.008000    0.040000
 -9.2860E+00 -1.0481E+01 -5.9351E+00
  1.2043E+01 -1.8343E+01 -9.9362E+00
 -2.3759E+03  1.8340E+03  1.3631E+03
HC            4583    1.008000    0.040000
 -1.0110E+01 -1.1453E+01 -4.6496E+00
 -2.2082E+00  1.3118E+01  3.1045E+00
  2.3563E+03 -6.0427E+01 -9.0025E+01
HC            4584    1.008000    0.040000
 -1.1163E+01 -1.0724E+01 -5.6921E+00
  7.9942E-01  5.9954E+00  2.3014E+01
  1.7824E+03  3.2547E+03 -1.1375E+03
CT            4585   12.011000    0.145000
  1.0949E+01  1.6282E+01 -6.1883E+00
  2.3010E+00 -5.2466E+00 -3.7108E-01
 -1.4756E+03  2.4647E+03 -5.1459E+03
OH            4586    0.000000   -0.683000
  1.2223E+01  1.6859E+01 -6.3662E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4587    1.008000    0.418000
  1.2750E+01  1.6161E+01 -6.7245E+00
  2.7374E+00  2.4846E+00 -8.5809E-01
  1.3486E+03 -2.9460E+02  2.6373E+03
HC            4588    1.008000    0.040000
  1.0791E+01  1.5670E+01 -5.3002E+00
  6.3359E+00 -7.0443E+00 -8.7075E-01
  1.0215E+03  5.5156E+01 -3.3648E+02
HC            4589    1.008000    0.040000
  1.0722E+01  1.5695E+01 -7.0783E+00
 -1.0107E+01 -1.4565E+01  8.5835E+00
  2.5458E+02 -2.0239E+03  1.1855E+03
HC            4590    1.008000    0.040000
  1.0179E+01  1.7050E+01 -6.2556E+00
  1.2940E+01  8.0134E+00  1.9192E+01
  7.1854E+02  8.0325E+02  2.5827E+03
CT            4591   12.011000    0.145000
 -1.4518E+01  9.8617E+00 -1.1730E+00
 -3.3225E+00 -1.1441E+00 -4.7889E+00
  2.1497E+03 -4.9967E+03  1.0715E+03
OH            4592    0.000000   -0.683000
 -1.5589E+01  9.4900E+00 -3.3404E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4593    1.008000    0.418000
 -1.6183E+01  1.0034E+01 -8.2856E-01
 -6.2537E+00 -3.7201E+00  3.2881E+00
 -4.9276E+03 -2.9188E+03  2.5892E+03
HC            4594    1.008000    0.040000
 -1.4837E+01  9.9710E+00 -2.2096E+00
 -1.7842E+01  2.7310E+01  1.6500E+00
 -6.1462E+02 -1.7359E+03  1.3049E+03
HC            4595    1.008000    0.040000
 -1.3668E+01  9.1856E+00 -1.0826E+00
 -6.5129E-01  5.1491E+00  4.3637E+01
 -2.3505E+03 -2.4698E+02  1.8693E+03
HC            4596    1.008000    0.040000
 -1.4046E+01  1.0837E+01 -1.0602E+00
 -3.2340E+00 -9.9844E-01 -6.3961E+00
 -2.4387E+03  4.4748E+02  3.0827E+03
CT            4597   12.011000    0.145000
 -1.2938E+01  1.2992E+01 -1.0802E+01
  3.0237E+00 -5.2724E+00 -3.4210E+00
 -5.6727E+03  3.8405E+03  2.4078E+03
OH            4598    0.000000   -0.683000
 -1.3122E+01  1.3684E+01 -1.2017E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4599    1.008000    0.418000
 -1.3660E+01  1.4448E+01 -1.1876E+01
  9.5133E-01 -5.0355E-01  6.6928E+00
  1.5142E+03  7.3799E+02  1.7227E+03
HC            4600    1.008000    0.040000
 -1.2385E+01  1.3471E+01 -9.9936E+00
  1.2583E+01 -8.1797E+00 -8.0909E+00
  6.0592E+03 -5.9384E+02 -3.6114E+03
HC            4601    1.008000    0.040000
 -1.2792E+01  1.1915E+01 -1.0878E+01
 -5.5241E+00 -9.9289E+00  3.0030E+01
  9.3964E+02  1.4279E+03  1.7247E+03
HC            4602    1.008000    0.040000
 -1.3828E+01  1.3168E+01 -1.0197E+01
 -1.7980E+01  1.0163E+00 -3.3805E+01
 -3.4344E+03 -3.2379E+03 -4.4015E+03
CT            4603   12.011000    0.145000
 -1.1976E+01  1.2051E+01 -1.7659E+01
 -4.7229E+00 -2.7272E+00  1.1440E+00
 -4.0764E+03 -3.3449E+03 -6.6012E+02
OH            4604    0.000000   -0.683000
 -1.2700E+01  1.3001E+01 -1.8409E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4605    1.008000    0.418000
 -1.2458E+01  1.3814E+01 -1.7993E+01
  2.6031E+01 -1.5445E+01  1.8033E+01
 -3.3419E+01 -1.0525E+03 -9.5723E+02
HC            4606    1.008000    0.040000
 -1.2526E+01  1.1157E+01 -1.7955E+01
 -1.2785E+01  5.1027E+00 -8.2723E+00
  2.9776E+03 -1.5919E+03 -1.0649E+03
HC            4607    1.008000    0.040000
 -1.2058E+01  1.1975E+01 -1.6575E+01
  2.1242E+01 -1.3382E+01  3.0940E+00
 -3.5210E+01  3.3016E+03 -6.5849E+02
HC            4608    1.008000    0.040000
 -1.0921E+01  1.2037E+01 -1.7933E+01
 -8.4174E+00  1.2428E+01 -1.5758E+01
 -9.0567E+02 -9.8890E+01 -4.5371E+02
CT            4609   12.011000    0.145000
  2.0290E+01  7.5785E-01  1.9689E+01
 -5.1514E+00  6.0168E-01  4.1434E+00
 -8.9551E+02 -5.8788E+01  1.2904E+03
OH            4610    0.000000   -0.683000
 -2.0348E+01 -5.3275E-01  2.0192E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4611    1.008000    0.418000
  1.9863E+01 -1.1218E+00  1.9926E+01
 -1.6632E+01  1.7109E+01  3.0257E+00
 -7.0055E+02  2.3268E+03 -1.7684E+03
HC            4612    1.008000    0.040000
 -1.9703E+01  8.3888E-01  1.9090E+01
 -9.4120E+00 -1.1005E+01 -4.2491E+00
 -1.2511E+03  4.6459E+03 -2.8573E+02
HC            4613    1.008000    0.040000
  2.0226E+01  1.4004E+00 -2.0333E+01
  3.2679E+01  1.1707E+01  5.3663E-01
  2.1003E+03  1.5050E+03 -2.1772E+03
HC            4614    1.008000    0.040000
  1.9383E+01  7.8760E-01  1.9085E+01
 -2.6886E+00 -1.6248E+01 -9.0395E-01
  7.5243E+02 -1.3041E+02 -6.6258E+02
CT            4615   12.011000    0.145000
 -2.6189E+00 -7.3527E+00  8.2840E+00
  7.6405E+00  1.2351E+00  3.9550E+00
 -3.9151E+03  5.1956E+03  7.7254E+03
OH            4616    0.000000   -0.683000
 -2.4908E+00 -6.1104E+00  7.6295E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4617    1.008000    0.418000
 -3.2250E+00 -5.5828E+00  7.9045E+00
  4.5193E+00  1.1171E+01 -8.5720E+00
  1.0336E+03  2.9389E+02  1.3239E+03
HC            4618    1.008000    0.040000
 -1.7497E+00 -8.0029E+00  8.3835E+00
 -5.6582E+00 -1.6220E+01  1.1473E+01
 -1.6429E+03 -8.9356E+02 -9.9072E+02
HC            4619    1.008000    0.040000
 -3.6260E+00 -7.7599E+00  8.1938E+00
 -3.3428E+00  2.4632E+01  1.2690E+01
  2.4471E+03 -2.4596E+03 -2.6989E+03
HC            4620    1.008000    0.040000
 -2.8542E+00 -6.8623E+00  9.2286E+00
 -1.9259E+01  2.2333E+01 -1.2187E+01
  2.4785E+03 -3.1303E+03  9.7048E+02
CT            4621   12.011000    0.145000
 -1.2649E+01  7.6847E+00 -1.6901E+01
 -1.3840E+00  4.3745E+00 -1.7771E-01
  2.9358E+03 -3.0755E+03  8.9018E+02
OH            4622    0.000000   -0.683000
 -1.2004E+01  7.8333E+00 -1.8146E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4623    1.008000    0.418000
 -1.1119E+01  8.1066E+00 -1.7962E+01
 -9.0677E-01  9.1862E+00 -8.4134E+00
 -1.0864E+03  2.5422E+03  8.7484E+02
HC            4624    1.008000    0.040000
 -1.3715E+01  7.5052E+00 -1.7041E+01
 -9.5949E-01 -2.5086E+00  4.9076E+00
  1.1663E+02  2.1819E+02  9.6392E+02
HC            4625    1.008000    0.040000
 -1.2444E+01  8.4835E+00 -1.6188E+01
  1.7081E+00  3.1517E+00  3.2103E-01
 -6.1257E+02  1.3024E+03 -1.4888E+03
HC            4626    1.008000    0.040000
 -1.2129E+01  6.8703E+00 -1.6396E+01
  2.6050E+01  2.6661E+01  1.0231E+01
 -1.8928E+03 -2.8936E+01 -5.6087E+02
CT            4627   12.011000    0.145000
 -1.2517E+01 -1.9843E+01 -8.5451E+00
  2.7269E+00 -2.6972E+00 -5.9316E+00
 -5.2074E+03 -1.8292E+03  2.3701E+03
OH            4628    0.000000   -0.683000
 -1.3308E+01 -1.8956E+01 -9.3037E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4629    1.008000    0.418000
 -1.4206E+01 -1.9103E+01 -9.0499E+00
  4.9746E+00 -1.1160E+01  1.2309E+01
  9.2531E+02 -2.0127E+03  1.5885E+03
HC            4630    1.008000    0.040000
 -1.1453E+01 -1.9974E+01 -8.7417E+00
  1.7587E+00 -3.5242E+00 -1.0748E+01
 -5.1015E+02  1.5568E+03 -1.2764E+03
HC            4631    1.008000    0.040000
 -1.3067E+01  2.0135E+01 -8.7354E+00
 -3.6615E+00  3.2253E-01 -2.4276E+00
  1.8439E+03 -1.7367E+03  1.9953E+03
HC            4632    1.008000    0.040000
 -1.2698E+01 -1.9517E+01 -7.5209E+00
  3.8042E+00 -1.1961E+01 -2.6974E+00
  1.3529E+03 -1.9675E+03  1.0668E+03
CT            4633   12.011000    0.145000
 -1.3434E+01 -1.8162E+01 -1.4608E+01
  4.0698E-02 -5.5000E+00  6.9012E-01
 -1.7197E+02  1.5828E+03  1.1414E+03
OH            4634    0.000000   -0.683000
 -1.4838E+01 -1.8152E+01 -1.4483E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4635    1.008000    0.418000
 -1.5200E+01 -1.7693E+01 -1.3740E+01
 -3.5070E+01 -9.7114E+00 -9.2134E+00
  1.7232E+03  2.0294E+02 -1.4729E+03
HC            4636    1.008000    0.040000
 -1.3051E+01 -1.8949E+01 -1.5258E+01
  1.1454E+01  7.5635E+00 -8.9957E+00
 -7.3755E+02 -7.0644E+02  1.5090E+03
HC            4637    1.008000    0.040000
 -1.3105E+01 -1.8282E+01 -1.3575E+01
 -8.4246E+00 -3.3305E+01  9.9617E-01
  2.0764E+03 -1.5489E+03 -1.4972E+03
HC            4638    1.008000    0.040000
 -1.3046E+01 -1.7269E+01 -1.5098E+01
 -1.0773E+00 -7.8110E+00 -4.4741E+00
 -6.4019E+02  1.0147E+03  1.3517E+03
CT            4639   12.011000    0.145000
 -4.7520E+00 -6.9485E+00 -2.2136E+00
  1.2293E-01 -5.2260E-01 -1.6454E+00
 -2.4255E+03 -1.6195E+03  2.1600E+03
OH            4640    0.000000   -0.683000
 -5.7325E+00 -6.0056E+00 -2.5845E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4641    1.008000    0.418000
 -6.3160E+00 -6.5582E+00 -3.0816E+00
 -2.2548E+00 -2.2711E+00  5.0967E+00
 -2.2073E+03  3.7885E+03 -1.3774E+03
HC            4642    1.008000    0.040000
 -5.2143E+00 -7.8982E+00 -1.9444E+00
 -2.6140E+01  9.6294E+00 -7.8438E+00
 -2.3444E+03  1.4604E+03  5.9340E+01
HC            4643    1.008000    0.040000
 -4.3004E+00 -6.6523E+00 -1.2667E+00
  7.2468E-01  3.8881E-01 -2.2159E+00
  2.2714E+03  9.6136E+02 -1.3500E+03
HC            4644    1.008000    0.040000
 -4.0538E+00 -7.2786E+00 -2.9827E+00
  1.2511E+01  2.7087E+00  7.8814E+00
  1.1154E+03  3.3065E+03  1.2961E+02
CT            4645   12.011000    0.145000
 -5.8834E+00  1.2737E+01 -1.0718E+01
 -5.0722E+00 -1.2599E+00 -1.0450E+01
  6.1480E+03 -1.2315E+03  2.8166E+03
OH            4646    0.000000   -0.683000
 -5.9544E+00  1.1345E+01 -1.0503E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4647    1.008000    0.418000
 -5.1607E+00  1.1032E+01 -1.0909E+01
 -1.0338E+01 -3.1172E+01  1.1635E+00
 -9.7219E+02 -3.3364E+03  2.2845E+03
HC            4648    1.008000    0.040000
 -5.5744E+00  1.2732E+01 -1.1763E+01
 -9.6576E+00  7.2369E+00 -1.1933E+01
 -8.9091E+02  4.3582E+03 -2.3723E+02
HC            4649    1.008000    0.040000
 -5.0699E+00  1.2958E+01 -1.0027E+01
 -2.5584E+01  6.6328E+00  1.2642E+01
 -9.4133E+02  3.6580E+03 -5.4245E+02
HC            4650    1.008000    0.040000
 -6.7777E+00  1.3295E+01 -1.0440E+01
 -5.1650E+00 -4.2388E+00 -4.6071E+00
  4.4442E+02 -1.3552E+03  2.5653E+03
CT            4651   12.011000    0.145000
  4.4684E+00 -6.4226E+00 -1.8534E+01
 -2.8780E+00 -7.7040E-01 -2.9813E-01
 -4.0053E+03 -2.0245E+03  1.9621E+02
OH            4652    0.000000   -0.683000
  4.1635E+00 -5.7331E+00 -1.7343E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4653    1.008000    0.418000
  4.3474E+00 -6.2481E+00 -1.6572E+01
  1.0567E+01  1.8639E+01  1.0679E+01
 -1.0120E+02 -2.0474E+03 -2.4594E+03
HC            4654    1.008000    0.040000
  4.1199E+00 -5.8209E+00 -1.9374E+01
 -7.3281E+00  3.4558E+00  4.5053E+00
  2.9880E+03  2.3440E+02 -8.8914E+02
HC            4655    1.008000    0.040000
  3.8047E+00 -7.2869E+00 -1.8560E+01
  4.6764E+00 -6.6448E+00 -1.4328E+00
  1.6739E+03 -1.7004E+03 -5.3748E+01
HC            4656    1.008000    0.040000
  5.5249E+00 -6.6901E+00 -1.8549E+01
  5.8650E-02  9.8910E+00 -2.0918E+01
 -4.8738E+02  6.5725E+02 -2.1563E+03
CT            4657   12.011000    0.145000
  1.7715E+00  1.0612E+01 -8.1205E+00
 -3.5741E+00  7.9018E-01  2.0378E+00
 -2.6999E+03  1.4963E+02  1.3265E+03
OH            4658    0.000000   -0.683000
  2.1669E+00  9.7305E+00 -7.0937E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4659    1.008000    0.418000
  2.5134E+00  1.0419E+01 -6.5465E+00
  4.3648E+00  2.5172E+00 -5.8198E+00
  8.9497E+02 -4.0550E+03  4.0806E+03
HC            4660    1.008000    0.040000
  2.6641E+00  1.1089E+01 -8.5253E+00
 -6.3711E+00 -1.3207E+01 -2.2624E+01
 -1.8829E+03  1.8093E+02 -1.7706E+03
HC            4661    1.008000    0.040000
  1.1713E+00  1.1301E+01 -7.5253E+00
  3.4600E+00  1.7083E+01 -8.9760E+00
 -4.8285E+02  2.3216E+03 -3.1285E+03
HC            4662    1.008000    0.040000
  1.1472E+00  1.0140E+01 -8.8789E+00
 -2.4170E+00  7.2469E+00 -3.0250E+00
  1.1860E+03  2.9836E+02 -1.1811E+03
CT            4663   12.011000    0.145000
 -1.1548E+01 -9.6839E+00  1.7032E+01
  3.4750E+00  1.3634E+00  3.9871E-01
  7.4646E+01  4.4045E+03 -1.2409E+03
OH            4664    0.000000   -0.683000
 -1.1863E+01 -9.2749E+00  1.8344E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4665    1.008000    0.418000
 -1.2596E+01 -9.8208E+00  1.8586E+01
 -7.3438E+00  1.6192E+01  1.6782E+01
 -6.1839E+02  2.3434E+03  2.1367E+03
HC            4666    1.008000    0.040000
 -1.0655E+01 -9.1534E+00  1.6703E+01
  6.0620E+00 -8.1047E+00 -8.3496E+00
  3.7720E+02 -8.7000E+02 -7.7801E+02
HC            4667    1.008000    0.040000
 -1.2383E+01 -9.3440E+00  1.6420E+01
  1.5941E+00 -1.0602E+01 -3.9497E+00
  3.0830E+02 -1.1156E+03 -1.2007E+03
HC            4668    1.008000    0.040000
 -1.1389E+01 -1.0753E+01  1.6889E+01
  1.8224E+01  1.5305E+00  1.2895E+01
  2.9998E+02  4.5779E+02  1.5360E+03
CT            4669   12.011000    0.145000
 -4.2660E+00 -1.6860E+01  8.8610E+00
 -5.5260E+00 -2.5854E+00  6.5394E-02
 -9.4805E+02 -6.4982E+03 -2.6515E+03
OH            4670    0.000000   -0.683000
 -3.9613E+00 -1.7466E+01  1.0097E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4671    1.008000    0.418000
 -3.3153E+00 -1.6905E+01  1.0499E+01
  1.7794E+01 -8.8968E+00 -1.4676E+01
  1.4447E+03 -1.3123E+03 -1.4675E+03
HC            4672    1.008000    0.040000
 -4.7764E+00 -1.5901E+01  8.7731E+00
  6.5685E+00  5.1258E+00  1.0412E+01
  1.7894E+03  8.1723E+02  4.3190E+03
HC            4673    1.008000    0.040000
 -5.0004E+00 -1.7523E+01  8.4031E+00
 -2.0105E+01  2.2220E+01 -1.4730E+01
  8.0608E+02  5.9123E+02 -1.2346E+03
HC            4674    1.008000    0.040000
 -3.3673E+00 -1.6842E+01  8.2445E+00
  5.9105E-01  1.2052E+01  8.8832E+00
 -3.1985E+02  8.7624E+02 -1.1689E+02
CT            4675   12.011000    0.145000
 -1.8647E+01 -1.7168E+01  1.4797E+01
 -2.1288E+00  3.5747E+00  1.9516E+00
 -1.8763E+03  4.5065E+03  3.1168E+02
OH            4676    0.000000   -0.683000
 -1.7397E+01 -1.6635E+01  1.5173E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4677    1.008000    0.418000
 -1.6874E+01 -1.6310E+01  1.4456E+01
 -1.7052E+01  1.4072E+01 -6.8210E+00
 -3.7687E+03 -1.4190E+03 -2.9321E+03
HC            4678    1.008000    0.040000
 -1.8603E+01 -1.7636E+01  1.3813E+01
  5.1652E+00  3.3033E+00  2.3553E+00
 -5.0664E+01 -1.7677E+03  1.1112E+03
HC            4679    1.008000    0.040000
 -1.9342E+01 -1.6330E+01  1.4739E+01
  2.4903E+01  2.6892E+01 -8.5400E+00
  1.2949E+03  2.6471E+01 -1.4671E+03
HC            4680    1.008000    0.040000
 -1.9028E+01 -1.7781E+01  1.5614E+01
  3.0400E+00  5.8952E+00  6.1552E+00
  6.7187E+02 -2.0448E+03 -1.5250E+03
CT            4681   12.011000    0.145000
  2.6810E+00 -1.2144E+01 -9.9359E-01
 -5.4383E-02 -6.9512E-01  1.5228E+00
  7.7195E+02 -7.1415E+03  4.6522E+03
OH            4682    0.000000   -0.683000
  4.0577E+00 -1.1888E+01 -8.2942E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4683    1.008000    0.418000
  4.1790E+00 -1.0951E+01 -8.1461E-01
 -8.0192E+00  1.0857E+00  1.5510E+00
  1.8960E+03 -3.8615E+02 -8.9977E+02
HC            4684    1.008000    0.040000
  2.1441E+00 -1.1872E+01 -8.4846E-02
  7.9938E+00 -1.7800E+01  1.1912E+01
 -4.6077E+02  3.0080E+03 -1.9547E+03
HC            4685    1.008000    0.040000
  2.5374E+00 -1.3218E+01 -8.8025E-01
  4.1402E+01 -7.2387E+00  7.8790E+00
  3.4409E+03  1.3575E+02  1.0883E+02
HC            4686    1.008000    0.040000
  2.1697E+00 -1.2047E+01 -1.9514E+00
  2.0447E+00 -1.0096E+01 -6.4622E-01
  2.5807E+03  4.5573E+03 -8.5996E+01
CT            4687   12.011000    0.145000
  1.5504E+00 -1.2902E+01 -1.0692E+01
 -1.3335E+00  1.9620E+00 -4.1790E-01
 -1.7014E+03 -4.3109E+03  2.3743E+03
OH            4688    0.000000   -0.683000
  1.9258E+00 -1.2382E+01 -9.4366E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4689    1.008000    0.418000
  1.1967E+00 -1.1842E+01 -9.1724E+00
  2.3279E+01  4.2423E+01 -1.2976E+01
  3.0674E+03  1.7199E+03 -2.1451E+03
HC            4690    1.008000    0.040000
  5.5849E-01 -1.2641E+01 -1.1062E+01
  1.1528E+01  1.9438E+01 -2.5638E+01
  9.9759E+02  1.1704E+03  1.0439E+03
HC            4691    1.008000    0.040000
  1.4271E+00 -1.3951E+01 -1.0424E+01
  6.6508E+00  5.9866E+00  2.1007E+01
  2.1521E+03 -5.7573E+02 -2.1928E+03
HC            4692    1.008000    0.040000
  2.2363E+00 -1.2801E+01 -1.1534E+01
  7.6409E+00 -3.0357E+01  1.6762E+00
  4.8355E+02 -5.7786E+02  1.9683E+03
CT            4693   12.011000    0.145000
  1.6731E+01 -1.3151E+01 -1.1837E+01
  4.9706E-01  4.6555E+00  5.9936E+00
  3.4454E+02  2.0186E+03  3.3948E+03
OH            4694    0.000000   -0.683000
  1.7634E+01 -1.4046E+01 -1.1226E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4695    1.008000    0.418000
  1.8483E+01 -1.3644E+01 -1.1327E+01
 -2.6647E-01 -3.1771E+00 -1.8491E+01
 -4.5741E+01 -1.0570E+03 -3.5872E+03
HC            4696    1.008000    0.040000
  1.5691E+01 -1.3396E+01 -1.2052E+01
  6.4709E-01  9.4643E+00 -5.2532E-01
  1.3362E+03 -4.4886E+03  2.0118E+02
HC            4697    1.008000    0.040000
  1.7155E+01 -1.2811E+01 -1.2782E+01
 -2.5639E+00  1.0010E+01  6.5115E+00
 -2.9851E+02  1.5744E+03  6.5318E+02
HC            4698    1.008000    0.040000
  1.6448E+01 -1.2336E+01 -1.1171E+01
 -3.3397E+01  5.9079E+00 -7.9327E+00
  3.0682E+03  8.8124E+02 -1.8075E+03
CT            4699   12.011000    0.145000
  1.4442E+01  1.6974E+01  1.2357E+01
  5.7584E+00  4.4774E+00 -2.7542E+00
  1.1728E+03 -1.0210E+02 -6.6348E+02
OH            4700    0.000000   -0.683000
  1.4265E+01  1.6402E+01  1.1080E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4701    1.008000    0.418000
  1.3535E+01  1.6935E+01  1.0802E+01
 -1.3208E+00 -1.1544E+01 -2.0695E+01
  3.2252E+01 -3.6408E+03 -7.3352E+03
HC            4702    1.008000    0.040000
  1.3612E+01  1.6806E+01  1.3042E+01
  7.1865E+00 -7.1677E-01 -2.2521E+00
  1.5127E+02 -2.4962E+03 -5.8737E+02
HC            4703    1.008000    0.040000
  1.4374E+01  1.8058E+01  1.2269E+01
 -3.4674E+00  3.2525E+00 -1.2903E+01
  2.7685E+03 -1.4390E+02 -6.1456E+02
HC            4704    1.008000    0.040000
  1.5343E+01  1.6643E+01  1.2873E+01
 -5.6445E+00  1.0204E+01  2.2311E+01
 -5.9270E+02  8.0868E+02  2.8782E+02
CT            4705   12.011000    0.145000
  8.5847E+00 -1.9805E+01  1.8020E+01
  5.1066E+00 -1.4725E+00  1.6647E+00
 -3.2390E+03  2.4749E+03 -3.9242E+02
OH            4706    0.000000   -0.683000
  8.0806E+00 -2.0075E+01  1.9309E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4707    1.008000    0.418000
  8.7938E+00 -2.0330E+01  1.9874E+01
 -1.4876E+01 -1.3663E+01  1.3666E+01
 -2.1220E+02  1.6186E+03 -2.2792E+02
HC            4708    1.008000    0.040000
  7.8501E+00 -1.9347E+01  1.7358E+01
  9.1037E+00  1.1838E+01  6.1235E+00
 -1.5326E+03  1.1055E+03  2.2315E+03
HC            4709    1.008000    0.040000
  8.8265E+00  2.0251E+01  1.7374E+01
  8.1797E+00  1.3992E+00 -9.7336E-01
  2.9988E+03 -1.0480E+03  2.9429E+03
HC            4710    1.008000    0.040000
  9.3783E+00 -1.9058E+01  1.8046E+01
  2.0149E+01 -1.6524E+01 -5.7469E+00
  1.1999E+03 -1.7711E+03 -1.5047E+02
CT            4711   12.011000    0.145000
 -1.6110E+01  1.2168E+01  1.7249E+01
  4.0665E+00 -7.7213E+00 -2.9785E+00
 -4.4954E+02 -2.9266E+03 -2.0712E+03
OH            4712    0.000000   -0.683000
 -1.6973E+01  1.1410E+01  1.8067E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4713    1.008000    0.418000
 -1.7089E+01  1.0606E+01  1.7583E+01
 -2.4438E+01  1.6995E+01 -2.5478E+01
 -2.5995E+03  9.7486E+02  2.0150E+03
HC            4714    1.008000    0.040000
 -1.6114E+01  1.3225E+01  1.7515E+01
  1.8236E+01 -1.1036E+01  1.2103E+01
  1.2208E+03 -1.2029E+03  2.9217E+03
HC            4715    1.008000    0.040000
 -1.6396E+01  1.2121E+01  1.6199E+01
 -2.4933E+01 -1.5012E+01  4.3498E+00
 -2.4805E+03 -8.0559E+02  1.1199E+03
HC            4716    1.008000    0.040000
 -1.5069E+01  1.1846E+01  1.7236E+01
  4.0264E+00 -9.3214E+00  1.2909E+01
 -2.2784E+02 -7.2355E+02  2.7713E+03
CT            4717   12.011000    0.145000
  1.6378E+01  5.0763E+00 -1.1032E+01
  3.5541E+00  8.3917E-01 -1.3836E+00
 -2.0761E+03 -2.7513E+02  3.8652E+02
OH            4718    0.000000   -0.683000
  1.6131E+01  6.4488E+00 -1.0824E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4719    1.008000    0.418000
  1.5514E+01  6.5982E+00 -1.1525E+01
  6.4466E+00 -7.8215E+00 -7.5730E+00
  5.5901E+02  8.8775E+02 -5.2868E+01
HC            4720    1.008000    0.040000
  1.6853E+01  5.0240E+00 -1.2011E+01
  2.1357E+01 -3.4160E+00  7.0604E+00
  1.2115E+03 -2.5290E+03  1.0942E+03
HC            4721    1.008000    0.040000
  1.5396E+01  4.6054E+00 -1.1065E+01
  1.8980E-01  4.7243E+00  2.3505E+01
  9.5864E+02 -1.2343E+03  1.1645E+03
HC            4722    1.008000    0.040000
  1.6921E+01  4.6120E+00 -1.0208E+01
 -1.6480E+01 -3.4189E+00  1.0095E+01
  4.7452E+02 -6.8061E+01 -1.2331E+03
CT            4723   12.011000    0.145000
  5.0578E-01 -1.6866E+01 -1.3810E+01
  3.3299E+00  2.4336E+00  3.3869E+00
  1.5680E+03 -2.5800E+02  5.6958E+03
OH            4724    0.000000   -0.683000
 -5.2616E-01 -1.5979E+01 -1.3442E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4725    1.008000    0.418000
 -8.2521E-01 -1.6254E+01 -1.2589E+01
 -7.6537E+00  2.5229E+01  6.3218E+00
 -2.8303E+03  1.0570E+03 -1.3582E+03
HC            4726    1.008000    0.040000
  1.0929E-01 -1.7825E+01 -1.4145E+01
  2.2270E+01 -4.3556E+00 -8.7147E-01
  1.7108E+03  3.4976E+01 -6.7132E+02
HC            4727    1.008000    0.040000
  1.0086E+00 -1.7058E+01 -1.2862E+01
 -1.8178E+01 -1.1812E+01  1.2704E+01
 -1.4154E+03 -1.9753E+03  3.4215E+02
HC            4728    1.008000    0.040000
  1.3741E+00 -1.6543E+01 -1.4384E+01
  5.1356E+00 -1.5778E+01 -4.8514E+00
 -3.1733E+03  6.9650E+02 -3.4080E+03
CT            4729   12.011000    0.145000
  1.4503E+01 -1.3105E+01 -2.2825E+00
  1.2645E+00 -2.9147E+00 -3.4550E+00
  2.5010E+03  2.8166E+03  8.6364E+02
OH            4730    0.000000   -0.683000
  1.5198E+01 -1.3902E+01 -1.3496E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4731    1.008000    0.418000
  1.6079E+01 -1.3559E+01 -1.3504E+00
 -8.4974E+00  2.4147E+01  1.1200E+01
 -2.4572E+00 -3.5466E+03 -1.3148E+03
HC            4732    1.008000    0.040000
  1.3460E+01 -1.3418E+01 -2.2418E+00
  4.7430E+00 -1.4866E+01 -2.5646E+00
  3.3101E+02 -3.5614E+01 -3.2484E+03
HC            4733    1.008000    0.040000
  1.5150E+01 -1.3332E+01 -3.1299E+00
  1.0877E+01 -1.9270E+01  7.6951E+00
 -4.4764E+03  5.0910E+02 -2.5612E+03
HC            4734    1.008000    0.040000
  1.4614E+01 -1.2075E+01 -1.9421E+00
 -1.3807E+01 -4.1897E+00  6.2394E+00
 -1.1045E+03  4.3730E+02 -9.7022E+02
CT            4735   12.011000    0.145000
 -7.9028E+00 -1.6402E+01 -2.0238E+01
 -7.0252E+00 -3.8032E+00  2.1225E+00
  1.5095E+02 -1.0379E+03  9.1265E+01
OH            4736    0.000000   -0.683000
 -7.7654E+00 -1.7258E+01  1.9550E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4737    1.008000    0.418000
 -8.5927E+00 -1.7572E+01  1.9218E+01
  1.1647E+00  6.2734E+00 -9.2332E+00
 -1.3787E+03 -6.4229E+02  5.2659E+03
HC            4738    1.008000    0.040000
 -8.6601E+00 -1.5621E+01 -2.0306E+01
  2.4125E+00  8.9932E+00  2.9410E+01
  2.6524E+02 -1.3248E+03 -5.3039E+02
HC            4739    1.008000    0.040000
 -6.9787E+00 -1.5876E+01 -1.9998E+01
  1.0954E+01 -2.2560E+01 -2.0941E+01
  5.6253E+02 -1.0858E+03 -3.3258E+03
HC            4740    1.008000    0.040000
 -8.0809E+00 -1.6933E+01 -1.9304E+01
 -1.7619E+01 -1.3676E+01 -5.2297E+00
 -2.2194E+03 -2.0061E+03 -1.5850E+03
CT            4741   12.011000    0.145000
 -1.0053E+01 -1.2048E+01  5.1688E+00
  2.5013E+00 -5.1659E+00  7.4418E-01
 -1.3560E+03 -3.8047E+01 -2.4253E+03
OH            4742    0.000000   -0.683000
 -8.9632E+00 -1.1628E+01  4.3784E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4743    1.008000    0.418000
 -8.8142E+00 -1.0696E+01  4.4157E+00
 -1.6289E+01  3.2440E+00 -7.2141E+00
 -2.9100E+03  3.2899E+02 -4.0575E+02
HC            4744    1.008000    0.040000
 -1.0042E+01 -1.1642E+01  6.1800E+00
 -1.0475E+00  8.7078E+00 -4.5655E+00
  8.5259E+01 -3.3733E+02 -3.2275E+02
HC            4745    1.008000    0.040000
 -1.0101E+01 -1.3137E+01  5.1322E+00
 -1.2714E+01 -4.5177E+00 -6.2787E+00
  6.5576E+02  2.5866E+02  1.7899E+03
HC            4746    1.008000    0.040000
 -1.0957E+01 -1.1760E+01  4.6326E+00
  1.4565E+01  8.4412E+00 -1.3258E+01
  3.8970E+02  1.8625E+03  8.3302E+02
CT            4747   12.011000    0.145000
  1.6227E+01  1.5620E+01  6.4974E+00
  2.2769E+00  8.8436E+00  8.9831E-01
  2.6027E+02 -5.3414E+03 -2.8497E+02
OH            4748    0.000000   -0.683000
  1.7104E+01  1.5496E+01  5.4007E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4749    1.008000    0.418000
  1.6622E+01  1.4948E+01  4.7999E+00
 -9.9180E+00  9.1982E+00 -7.3510E-01
  1.2316E+03  1.2039E+03 -1.7583E+03
HC            4750    1.008000    0.040000
  1.6694E+01  1.6202E+01  7.2917E+00
 -9.5369E-01  1.3277E+01 -4.1308E-01
 -2.0519E+03  5.9716E+02  4.2845E+02
HC            4751    1.008000    0.040000
  1.6117E+01  1.4583E+01  6.8160E+00
  2.1653E+01  6.6614E+00  1.6861E+00
  1.6241E+03  2.4576E+02  1.9297E+03
HC            4752    1.008000    0.040000
  1.5174E+01  1.5806E+01  6.2875E+00
 -3.4001E+00 -7.5721E+00  1.2685E+01
  1.6300E+03  3.8204E+03 -3.9098E+02
CT            4753   12.011000    0.145000
 -1.1091E+01 -1.3648E+01 -9.4401E+00
  2.1629E+00  5.3027E+00 -1.6288E-01
  2.9123E+03  1.5425E+03  2.5805E+03
OH            4754    0.000000   -0.683000
 -1.2041E+01 -1.3238E+01 -8.4818E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4755    1.008000    0.418000
 -1.1507E+01 -1.3000E+01 -7.7390E+00
 -1.7212E+01  8.5485E+00  1.0257E+01
 -1.2121E+03  3.2217E+03 -6.1174E+02
HC            4756    1.008000    0.040000
 -1.0171E+01 -1.4018E+01 -8.9888E+00
 -6.1334E-01 -8.8451E-01  5.3238E-01
 -1.0093E+03 -1.7427E+03  1.2489E+03
HC            4757    1.008000    0.040000
 -1.1482E+01 -1.4443E+01 -1.0076E+01
  8.4149E+00  6.9026E+00 -6.1273E+00
  5.0335E+02  2.5928E+03 -3.0007E+03
HC            4758    1.008000    0.040000
 -1.0791E+01 -1.2680E+01 -9.8402E+00
 -1.4932E+01  8.0129E+00 -7.3274E+00
 -1.0163E+03 -2.0348E+03 -5.4561E+03
CT            4759   12.011000    0.145000
 -1.5146E+01  6.7289E+00 -4.3848E+00
  2.8680E+00  1.1341E-01  3.5978E-01
  1.0706E+03  2.0852E+02  2.1339E+03
OH            4760    0.000000   -0.683000
 -1.5113E+01  5.3284E+00 -4.2240E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4761    1.008000    0.418000
 -1.5641E+01  5.1006E+00 -3.4737E+00
  9.0604E+00  1.0500E+01  9.9464E+00
  1.0308E+03  2.1783E+03  1.2117E+03
HC            4762    1.008000    0.040000
 -1.5470E+01  7.2857E+00 -3.5055E+00
 -1.2455E+01  9.9516E+00 -1.0993E+01
 -3.9588E+02 -1.7139E+03  5.0103E+02
HC            4763    1.008000    0.040000
 -1.5806E+01  7.1110E+00 -5.1631E+00
  3.3025E+00  3.1730E+00  1.4794E+00
 -4.9895E+02 -1.7372E+03 -1.2912E+02
HC            4764    1.008000    0.040000
 -1.4155E+01  7.1521E+00 -4.5537E+00
  5.4297E+00  2.9699E+00  2.0130E+01
  2.7779E+01 -1.4863E+03 -8.8812E+02
CT            4765   12.011000    0.145000
 -1.3446E+00  1.3364E+01 -2.0090E+01
  2.6749E+00 -2.0459E-01 -2.0161E+00
  5.0022E+02 -1.2782E+03 -9.9534E+02
OH            4766    0.000000   -0.683000
 -6.1444E-01  1.2748E+01 -1.9053E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4767    1.008000    0.418000
  2.5025E-01  1.3072E+01 -1.9253E+01
  1.1477E+00  1.0937E+01  2.0019E+01
  1.0481E+03 -1.8248E+03  3.3733E+03
HC            4768    1.008000    0.040000
 -2.4223E+00  1.3313E+01 -1.9935E+01
 -1.7065E+00  3.2096E-02 -2.7930E+01
  4.4664E+02 -7.5002E+01 -1.1190E+03
HC            4769    1.008000    0.040000
 -1.0750E+00  1.2838E+01  1.9895E+01
  1.4059E+00 -1.5271E+01  5.9437E+00
 -2.0949E+03 -1.5768E+03  3.4424E+02
HC            4770    1.008000    0.040000
 -1.1124E+00  1.4391E+01 -2.0373E+01
 -2.7877E+01  6.0437E+00 -7.9704E+00
 -5.3293E+02  1.6117E+01  3.6331E+03
CT            4771   12.011000    0.145000
  1.1598E+01 -1.9574E+01  1.1164E+01
 -4.9785E+00 -4.0512E+00 -3.6544E+00
  3.7157E+03  5.7009E+02  4.4581E+03
OH            4772    0.000000   -0.683000
  1.0620E+01 -1.9217E+01  1.2115E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4773    1.008000    0.418000
  1.1056E+01 -1.9272E+01  1.2952E+01
 -2.2294E+00  4.9867E+00  1.5323E+00
 -1.7870E+03  2.9984E+03  1.1589E+03
HC            4774    1.008000    0.040000
  1.1471E+01 -1.9326E+01  1.0111E+01
  8.4226E+00  9.0112E+00 -2.5132E+00
 -1.9627E+03  4.6000E+02  1.1840E+03
HC            4775    1.008000    0.040000
  1.1964E+01  2.0306E+01  1.1284E+01
 -1.2774E+01 -4.5419E+00  2.2137E+01
 -3.3478E+03 -6.3793E+02  2.3381E+02
HC            4776    1.008000    0.040000
  1.2487E+01 -1.9020E+01  1.1465E+01
 -2.5243E+01  3.2232E+01 -4.8783E+00
 -1.8448E+03  1.9673E+03 -1.1189E+03
CT            4777   12.011000    0.145000
 -3.3306E+00 -1.0430E+01  1.5671E+00
  2.0407E+00  8.6700E-01 -4.8964E-02
  1.5509E+03 -6.0616E+01  2.2616E+03
OH            4778    0.000000   -0.683000
 -2.8082E+00 -1.1686E+01  1.1965E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4779    1.008000    0.418000
 -2.6892E+00 -1.1688E+01  2.5904E-01
  1.1617E+01 -2.0031E+01  9.4221E-01
  1.1060E+03 -4.2253E+03  3.4954E+02
HC            4780    1.008000    0.040000
 -4.4164E+00 -1.0364E+01  1.4977E+00
  3.2729E+00  3.4979E+00 -2.9138E+01
  8.2669E+02 -8.9148E+01 -2.1173E+03
HC            4781    1.008000    0.040000
 -2.8769E+00 -9.6547E+00  9.4961E-01
 -1.1126E+01  1.2546E+01  4.4063E+00
 -1.6403E+03  4.4382E+02 -1.7281E+02
HC            4782    1.008000    0.040000
 -3.0324E+00 -1.0155E+01  2.5788E+00
  1.4846E+01  2.4269E+00 -4.0664E+00
  3.9930E+02 -1.2250E+03  2.6191E+02
CT            4783   12.011000    0.145000
  1.2211E+01  9.1954E+00  6.7082E+00
 -1.0786E+00 -7.2972E-01 -1.3882E+00
  3.6215E+03 -7.1915E+02  1.0190E+03
OH            4784    0.000000   -0.683000
  1.2675E+01  1.0193E+01  5.8260E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4785    1.008000    0.418000
  1.2948E+01  1.0970E+01  6.2890E+00
  3.4579E+00  7.8642E+00 -1.4619E+01
 -3.1029E+03  1.0275E+03 -5.2601E+02
HC            4786    1.008000    0.040000
  1.1145E+01  9.1590E+00  6.9334E+00
 -4.0689E+00 -1.3079E+01 -1.5889E+01
 -8.9164E+01 -1.5365E+02 -2.7536E+03
HC            4787    1.008000    0.040000
  1.2736E+01  9.2993E+00  7.6577E+00
  1.5642E+01  5.6436E+00 -1.0902E+01
  1.3006E+03  1.8007E+02 -8.1905E+02
HC            4788    1.008000    0.040000
  1.2632E+01  8.2922E+00  6.2662E+00
  7.5598E+00 -9.5845E+00  2.3208E+01
 -3.3812E+03 -2.1689E+03  2.3372E+03
CT            4789   12.011000    0.145000
  1.3315E+01  1.9836E+01 -2.5956E-01
  7.3472E-02 -5.8844E-01  3.1044E+00
  4.6092E+03 -2.8115E+02  8.4015E+02
OH            4790    0.000000   -0.683000
  1.3377E+01 -1.9679E+01 -1.7151E-03
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4791    1.008000    0.418000
  1.2916E+01 -1.9238E+01 -6.9850E-01
 -1.9524E+01  1.0319E+01  1.8280E+01
  1.7429E+03  1.0981E+03  7.9141E+02
HC            4792    1.008000    0.040000
  1.4095E+01  1.9360E+01  3.3502E-01
  3.7756E+00 -1.5488E+01 -1.2850E+01
 -1.7206E+03 -1.4876E+03  8.2176E+02
HC            4793    1.008000    0.040000
  1.3667E+01  1.9624E+01 -1.2691E+00
 -1.2650E+00 -2.6333E+01  7.3757E+00
 -3.1677E+03 -1.2402E+03 -3.3878E+02
HC            4794    1.008000    0.040000
  1.2319E+01  1.9544E+01  7.1951E-02
  7.7025E+00 -2.0153E+00  2.6634E+01
  1.0923E+03 -2.4932E+03 -2.5725E+03
CT            4795   12.011000    0.145000
  6.9213E+00  6.8912E+00 -5.2945E+00
 -7.8996E+00 -8.1497E+00  7.8220E+00
  4.4907E+03  9.1999E+02 -1.9151E+03
OH            4796    0.000000   -0.683000
  7.9045E+00  6.9308E+00 -4.2846E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4797    1.008000    0.418000
  7.8901E+00  7.7941E+00 -3.9004E+00
  6.1949E-01 -8.7566E-02  2.2229E-01
 -3.2978E+03 -2.0158E+02  2.5179E+02
HC            4798    1.008000    0.040000
  7.3672E+00  7.4748E+00 -6.1000E+00
 -3.1592E+01 -1.9012E+01 -1.4631E+01
 -2.0421E+03 -1.0519E+03 -1.2873E+03
HC            4799    1.008000    0.040000
  5.9163E+00  7.2785E+00 -5.1273E+00
 -6.3287E+00 -1.3061E+01  3.2428E+01
  1.8422E+03  1.5005E+03  3.2487E+03
HC            4800    1.008000    0.040000
  6.7505E+00  5.8804E+00 -5.6650E+00
  1.5704E+00 -9.2072E+00  6.0878E+00
  1.8857E+03 -2.1739E+01 -4.7977E+02
CT            4801   12.011000    0.145000
 -9.0696E+00 -3.3335E+00 -9.3686E+00
  2.1772E+00  1.5390E+00  3.2615E-01
 -1.7286E+03 -1.2305E+03  6.2046E+02
OH            4802    0.000000   -0.683000
 -8.2709E+00 -4.4905E+00 -9.2616E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4803    1.008000    0.418000
 -8.9030E+00 -5.1221E+00 -8.9541E+00
  7.7400E+00 -6.6860E+00  2.5393E+00
  3.3392E+03 -3.7770E+03 -7.8678E+02
HC            4804    1.008000    0.040000
 -8.4401E+00 -2.6578E+00 -8.7895E+00
  6.2022E+00 -8.0759E+00  7.4456E+00
 -3.3478E+03  3.3962E+03 -1.2984E+03
HC            4805    1.008000    0.040000
 -9.9922E+00 -3.5981E+00 -8.8521E+00
 -2.2575E+00  3.9392E+01  1.5032E+01
  8.1258E+02  3.1916E+03  1.2093E+03
HC            4806    1.008000    0.040000
 -9.3955E+00 -2.9993E+00 -1.0354E+01
  1.7771E+01  2.5687E+01  2.5147E+00
  3.2229E+03  8.7315E+02 -1.6306E+02
CT            4807   12.011000    0.145000
 -1.5431E+01 -6.7572E+00 -1.2935E+01
 -1.6430E+00 -7.3554E-02  4.7932E-01
 -4.5001E+03 -1.7362E+03  3.5579E+01
OH            4808    0.000000   -0.683000
 -1.5776E+01 -5.8893E+00 -1.3992E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4809    1.008000    0.418000
 -1.6044E+01 -5.1293E+00 -1.3498E+01
 -3.7794E+00  1.0391E+01 -1.7195E+01
  1.2369E+03  3.2263E+03 -4.4240E+03
HC            4810    1.008000    0.040000
 -1.6316E+01 -6.4596E+00 -1.2373E+01
 -5.6393E+00 -1.4707E+01  2.3505E+00
  1.7878E+03 -2.5113E+03  4.3817E+03
HC            4811    1.008000    0.040000
 -1.4515E+01 -6.5929E+00 -1.2367E+01
 -9.5340E+00 -4.7295E+00  1.5075E+01
 -7.3348E+02  1.7836E+03 -6.3186E+02
HC            4812    1.008000    0.040000
 -1.5600E+01 -7.8182E+00 -1.3119E+01
 -1.7927E+01  3.3893E+00 -6.3132E+00
  5.0035E+02  2.9106E+02 -1.4583E+03
CT            4813   12.011000    0.145000
 -1.9715E+01  6.4563E+00 -1.0361E+01
  5.2059E-01 -2.0438E+00  7.4293E-01
  8.0454E+02 -2.9953E+03  6.0722E+02
OH            4814    0.000000   -0.683000
 -1.8353E+01  6.8178E+00 -1.0328E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4815    1.008000    0.418000
 -1.8122E+01  6.8081E+00 -9.4111E+00
 -1.6052E+01 -3.7831E+00  4.3090E+00
 -5.0322E+02 -4.4588E+02 -1.5906E+02
HC            4816    1.008000    0.040000
 -2.0025E+01  5.6556E+00 -1.1032E+01
 -1.0719E+00 -1.1542E+01  1.2462E+01
  3.3412E+03 -4.7314E+01 -1.1933E+03
HC            4817    1.008000    0.040000
 -2.0309E+01  7.3122E+00 -1.0682E+01
  4.7932E+00  1.6897E+00  2.6863E+00
  2.6653E+02 -1.5512E+02  3.8638E+01
HC            4818    1.008000    0.040000
 -2.0140E+01  6.1041E+00 -9.4207E+00
  1.0160E+01 -1.9511E+00  5.2557E+00
  2.2878E+03  9.9975E+02  1.5033E+03
CT            4819   12.011000    0.145000
  1.5495E+01  8.1697E-01 -1.8398E+01
  3.4794E-01  5.0394E-01 -1.1713E+00
  2.5337E+03 -8.9170E+02  3.3471E+03
OH            4820    0.000000   -0.683000
  1.5302E+01  2.1194E+00 -1.7893E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4821    1.008000    0.418000
  1.6125E+01  2.5452E+00 -1.8075E+01
  8.1967E+00 -1.1360E+01  8.9820E+00
  1.9757E+02 -1.4455E+02  1.7091E+03
HC            4822    1.008000    0.040000
  1.5873E+01  8.0194E-01 -1.9420E+01
 -1.6766E+01  6.4937E+00 -7.9585E+00
 -1.3050E+03  1.8467E+02 -2.5964E+01
HC            4823    1.008000    0.040000
  1.4614E+01  1.8385E-01 -1.8286E+01
  1.4838E+01 -2.2546E+01 -1.0257E+01
  1.2393E+03 -6.1577E+02 -8.3254E+02
HC            4824    1.008000    0.040000
  1.6295E+01  4.0620E-01 -1.7782E+01
 -1.8061E+01  7.4841E+00  2.9607E+01
 -2.3335E+03 -1.2942E+03  9.4851E+02
CT            4825   12.011000    0.145000
  8.9719E+00  1.5997E+01 -1.1285E+01
  5.5810E+00  4.7314E-01  1.5236E+00
  1.6364E+03 -4.7229E+02  2.2070E+03
OH            4826    0.000000   -0.683000
  9.1553E+00  1.4625E+01 -1.1553E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4827    1.008000    0.418000
  9.6893E+00  1.4617E+01 -1.2333E+01
  1.2023E+01 -2.0273E+00  7.9840E+00
 -1.8369E+03 -1.5067E+03 -8.2058E+02
HC            4828    1.008000    0.040000
  8.4615E+00  1.6530E+01 -1.2087E+01
 -4.3462E+00  1.8429E+01  1.8876E+01
  4.4741E+01 -9.5633E+02  5.8720E+02
HC            4829    1.008000    0.040000
  9.9059E+00  1.6500E+01 -1.1034E+01
 -1.2796E+00  1.0153E+01  8.4181E+00
  5.3376E+02 -1.6397E+02 -2.1596E+03
HC            4830    1.008000    0.040000
  8.3956E+00  1.6167E+01 -1.0376E+01
 -1.6688E+01 -4.7514E+00 -1.0865E+01
 -2.4256E+03 -2.1128E+03 -1.4430E+03
CT            4831   12.011000    0.145000
 -2.0292E+01  1.0279E+01  1.9784E+01
 -3.6495E+00  4.6973E+00  1.5429E-01
 -1.9288E+03 -8.0437E+02  4.6878E+03
OH            4832    0.000000   -0.683000
  1.9557E+01  9.4713E+00  1.9301E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4833    1.008000    0.418000
  1.9780E+01  8.5889E+00  1.9556E+01
  1.1916E+01  5.9446E+00  1.1386E+01
  8.3243E+02  2.7035E+02 -1.0202E+03
HC            4834    1.008000    0.040000
 -1.9972E+01  9.8349E+00 -2.0174E+01
  8.0773E+00 -9.7452E+00 -1.0164E+01
 -1.7954E+03  1.2254E+03  8.8315E+02
HC            4835    1.008000    0.040000
  2.0208E+01  1.1281E+01  1.9941E+01
  5.1923E+00  5.7047E+00  1.9000E+01
  1.3972E+03  1.0405E+02  1.1663E+03
HC            4836    1.008000    0.040000
 -1.9303E+01  1.0395E+01  1.9341E+01
 -4.8465E+00  3.0299E+00 -2.9870E+00
 -2.0442E+03 -2.1775E+03 -4.3796E+03
CT            4837   12.011000    0.145000
 -8.9982E+00  1.8829E+01  3.2064E+00
  6.1223E+00 -2.0468E+00 -6.4826E+00
 -7.5970E+02 -4.2006E+03 -3.5882E+03
OH            4838    0.000000   -0.683000
 -8.4757E+00  1.7814E+01  4.0333E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4839    1.008000    0.418000
 -8.7520E+00  1.8061E+01  4.9025E+00
 -1.0430E+01  2.3788E+01 -9.2125E+00
  3.0520E+00  4.8137E+02 -9.2703E+02
HC            4840    1.008000    0.040000
 -8.6163E+00  1.8262E+01  2.3574E+00
 -6.5593E+00 -4.7506E+00 -1.0600E+01
 -8.4069E+02  5.3883E+03 -4.1989E+03
HC            4841    1.008000    0.040000
 -8.5887E+00  1.9824E+01  3.3833E+00
 -3.0950E+00  1.8002E+00 -6.2116E+00
 -2.3854E+02 -2.7355E+02 -8.7345E+02
HC            4842    1.008000    0.040000
 -1.0081E+01  1.8907E+01  3.1058E+00
  7.5419E+00  3.0113E+01 -7.1490E+00
  7.4810E+02  1.0480E+02  1.1711E+03
CT            4843   12.011000    0.145000
 -1.9664E+00 -2.0101E+01 -1.0617E+01
 -1.8846E+00 -9.9198E-01  1.7637E+00
  2.4163E+01  1.2918E+03 -3.5321E+03
OH            4844    0.000000   -0.683000
 -1.7552E+00  1.9501E+01 -1.1126E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4845    1.008000    0.418000
 -1.5455E+00  1.9082E+01 -1.0305E+01
 -4.1950E+00  1.4764E+01  8.9892E+00
 -2.0128E+02 -4.3203E+02 -6.1233E+02
HC            4846    1.008000    0.040000
 -8.9186E-01 -1.9924E+01 -1.0572E+01
 -7.0452E-01 -1.0475E+01  2.2441E+01
 -1.3115E+03  4.5615E+03  3.6920E+03
HC            4847    1.008000    0.040000
 -2.4445E+00 -2.0275E+01 -9.6532E+00
  3.1988E+01  1.2471E+01  2.2831E+01
  9.0662E+02  4.2409E+03 -6.6682E+02
HC            4848    1.008000    0.040000
 -2.5105E+00 -1.9610E+01 -1.1424E+01
 -7.4092E+00 -7.3421E-01  5.5904E+00
 -7.0686E+02  2.2277E+03  1.4919E+03
CT            4849   12.011000    0.145000
  1.0738E+01 -6.0542E+00 -5.3677E+00
  5.6582E+00  2.5527E+00  1.3284E+00
  3.3926E+03  1.1691E+03  5.5814E+02
OH            4850    0.000000   -0.683000
  1.1172E+01 -6.3494E+00 -6.6766E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4851    1.008000    0.418000
  1.1904E+01 -6.9413E+00 -6.5964E+00
 -8.3294E+00 -8.7887E+00  1.6373E+01
  7.6064E+02  1.8765E+03  1.9667E+03
HC            4852    1.008000    0.040000
  1.1658E+01 -5.7086E+00 -4.8956E+00
  7.7621E+00 -1.3849E+00  1.5687E-01
 -4.2950E+02 -9.9584E+02  2.1701E+03
HC            4853    1.008000    0.040000
  1.0357E+01 -6.9655E+00 -4.9075E+00
  4.0993E+00  3.4346E+00  1.7890E+00
  1.5638E+02  7.3598E+02  1.1996E+03
HC            4854    1.008000    0.040000
  1.0004E+01 -5.2501E+00 -5.3257E+00
 -1.2266E+01 -1.1465E+01 -2.0345E+01
 -6.9152E+02 -1.4938E+03 -2.2080E+03
CT            4855   12.011000    0.145000
 -6.9371E+00  1.0578E+01  3.0420E+00
  1.9887E+00  3.4850E+00 -5.0372E+00
  1.4019E+03 -3.1900E+03 -1.5572E+02
OH            4856    0.000000   -0.683000
 -7.9537E+00  1.0004E+01  2.2515E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4857    1.008000    0.418000
 -7.6623E+00  9.1426E+00  1.9936E+00
  2.9375E+01  1.0172E+01 -4.6123E+00
  2.8966E+03  1.6187E+03  2.5412E+02
HC            4858    1.008000    0.040000
 -6.0596E+00  1.0792E+01  2.4319E+00
 -1.8089E+01  5.7328E+00 -3.5294E+01
 -1.8446E+03  1.7419E+03 -2.5380E+02
HC            4859    1.008000    0.040000
 -6.6334E+00  9.8017E+00  3.7442E+00
 -1.1705E+01 -5.2661E+00 -8.3991E+00
 -1.4572E+03  2.3457E+02  8.9836E+02
HC            4860    1.008000    0.040000
 -7.3389E+00  1.1400E+01  3.6351E+00
  7.3622E+00 -9.9180E+00  1.8452E+01
  2.1632E+03  1.1846E+02 -5.0884E+02
CT            4861   12.011000    0.145000
 -1.7799E+01  1.5108E+01 -1.0902E+01
  1.5520E+00 -3.1597E+00 -5.3735E+00
 -1.4387E+03  4.8538E+02  1.1979E+03
OH            4862    0.000000   -0.683000
 -1.8037E+01  1.3884E+01 -1.0243E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4863    1.008000    0.418000
 -1.7522E+01  1.3284E+01 -1.0760E+01
  3.8015E+00  1.7201E+00  1.7522E+00
 -1.4653E+02 -3.3548E+02  2.8824E+02
HC            4864    1.008000    0.040000
 -1.7964E+01  1.5010E+01 -1.1975E+01
  1.0788E+01 -1.2819E+01 -6.0829E+00
 -6.4151E+02 -2.3777E+02  3.8360E+02
HC            4865    1.008000    0.040000
 -1.6775E+01  1.5470E+01 -1.0820E+01
 -1.3708E+00  6.8681E+00 -1.1426E+01
 -1.1642E+02 -6.5850E+02  7.8241E+02
HC            4866    1.008000    0.040000
 -1.8406E+01  1.5883E+01 -1.0433E+01
  2.5263E+01 -1.2790E+00  2.5473E+01
  9.0426E+02 -7.6949E+02 -4.5654E+02
CT            4867   12.011000    0.145000
 -2.6492E+00  7.6804E+00  9.8836E+00
 -2.5592E+00 -3.3881E+00  2.2612E+00
  4.4508E+03 -5.7864E+03 -4.0127E+03
OH            4868    0.000000   -0.683000
 -1.6896E+00  7.6517E+00  1.0916E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4869    1.008000    0.418000
 -2.2210E+00  7.7132E+00  1.1695E+01
 -9.8359E+00 -3.0984E+01 -2.8942E+00
  3.6397E+03  2.3234E+03  3.1552E+02
HC            4870    1.008000    0.040000
 -2.6344E+00  8.5611E+00  9.2415E+00
 -3.4374E+01 -2.9100E+00  6.0602E-01
 -4.9974E+03 -1.3394E+03 -1.0136E+03
HC            4871    1.008000    0.040000
 -3.6352E+00  7.3204E+00  1.0177E+01
 -2.2253E+00  4.2652E-01  8.2293E+00
 -3.7221E+02  1.3867E+03 -6.7996E+02
HC            4872    1.008000    0.040000
 -2.2052E+00  6.9661E+00  9.1902E+00
 -5.4874E+00 -8.2187E+00  5.3040E+00
 -1.6877E+03 -1.7249E+03 -3.7203E+02
CT            4873   12.011000    0.145000
  1.7706E+01 -4.7150E+00 -3.5670E+00
  7.0847E+00 -6.4799E-01 -1.0184E+00
 -1.8977E+03  2.2929E+03 -3.5512E+03
OH            4874    0.000000   -0.683000
  1.7895E+01 -3.4272E+00 -3.0247E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4875    1.008000    0.418000
  1.8492E+01 -2.9856E+00 -3.6083E+00
  5.1102E+00  9.7646E+00  1.2163E+01
 -8.0607E+02 -1.1301E+02 -3.7643E+02
HC            4876    1.008000    0.040000
  1.7185E+01 -5.3516E+00 -2.8522E+00
  3.3918E+01 -8.3241E+00  1.3089E+01
  4.1759E+02 -4.7514E+02 -1.8681E+03
HC            4877    1.008000    0.040000
  1.8586E+01 -5.1952E+00 -3.9958E+00
  1.1311E+00 -7.8569E+00 -5.4071E+00
  4.9065E+02 -8.9515E+02  2.6342E+03
HC            4878    1.008000    0.040000
  1.7146E+01 -4.4178E+00 -4.4539E+00
 -2.7519E+00 -2.4706E+00  4.4313E+00
 -2.4701E+03 -3.0288E+03  1.2438E+02
CT            4879   12.011000    0.145000
  1.2140E+01  1.9877E+01  3.1364E+00
 -4.4148E-01  2.4790E-01 -4.1810E+00
  2.5522E+02  5.2211E+02  6.3327E+03
OH            4880    0.000000   -0.683000
  1.3263E+01 -2.0173E+01  3.0725E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4881    1.008000    0.418000
  1.3472E+01 -2.0082E+01  2.1553E+00
  1.8994E+01  1.0075E+01  4.7868E+00
  8.7719E+02  5.9074E+02  6.8144E+02
HC            4882    1.008000    0.040000
  1.1995E+01  1.9938E+01  4.2150E+00
  3.4517E+00 -7.5345E+00 -3.1428E+00
 -3.4619E+03 -1.6632E+03  5.7390E+01
HC            4883    1.008000    0.040000
  1.2467E+01  1.8853E+01  2.9538E+00
 -1.8171E+00 -5.9093E-01 -1.9767E+00
 -1.5505E+03 -2.0768E+01 -1.7302E+03
HC            4884    1.008000    0.040000
  1.1239E+01  2.0240E+01  2.6422E+00
 -5.6738E+00  3.5104E+00  7.4088E+00
  5.5639E+02 -1.2301E+03 -8.3001E+02
CT            4885   12.011000    0.145000
  3.4402E+00  1.7083E+01  4.4786E-01
  1.0861E-01 -1.8206E-01  2.9825E+00
 -9.9236E+02  1.8918E+02 -2.1074E+02
OH            4886    0.000000   -0.683000
  3.5794E+00  1.8484E+01  5.2529E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4887    1.008000    0.418000
  4.1046E+00  1.8546E+01  1.3084E+00
 -3.1466E+00 -1.8553E+00  2.2836E+00
 -1.4760E+03  3.4279E+03  6.5428E+02
HC            4888    1.008000    0.040000
  2.8825E+00  1.6648E+01  1.2774E+00
  2.5534E+00  1.1697E+01  1.1109E+01
  1.9571E+03  1.5233E+03  2.0508E+03
HC            4889    1.008000    0.040000
  4.4670E+00  1.6718E+01  4.7297E-01
  7.8145E+00  2.0584E+01  1.6414E+01
 -1.3650E+03 -1.2029E+03 -1.5397E+03
HC            4890    1.008000    0.040000
  2.8201E+00  1.6753E+01 -3.8566E-01
  3.8260E+00 -5.2236E+00  2.1648E+00
  2.6316E+03  6.0406E+02 -2.2347E+03
CT            4891   12.011000    0.145000
  1.0192E+01 -1.6362E+01  1.5410E+01
 -4.8295E+00  4.9250E-01  2.7965E+00
  3.3071E+03  1.7355E+03  2.3733E+02
OH            4892    0.000000   -0.683000
  1.0696E+01 -1.7209E+01  1.6419E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4893    1.008000    0.418000
  1.0802E+01 -1.6841E+01  1.7283E+01
 -4.5445E+00  2.0322E+00 -2.7636E-01
 -2.8460E+03  4.9550E+03 -1.7605E+03
HC            4894    1.008000    0.040000
  1.1016E+01 -1.5854E+01  1.4909E+01
 -2.6415E+00  8.7424E+00  1.4355E+01
  5.9557E+02 -1.0699E+03 -1.7626E+02
HC            4895    1.008000    0.040000
  9.5241E+00 -1.5566E+01  1.5739E+01
 -1.6225E+01 -6.6635E+00 -2.3811E+00
 -2.7670E+03 -2.4433E+03  2.1291E+01
HC            4896    1.008000    0.040000
  9.8304E+00 -1.7180E+01  1.4787E+01
  3.8506E+00  8.0333E+00 -1.2742E+01
 -4.4257E+03  5.0267E+03 -3.1701E+03
CT            4897   12.011000    0.145000
 -1.8446E+01 -1.7865E+01 -1.5486E+01
 -1.1561E+00  7.7526E+00 -4.6631E-01
  3.4777E+02  6.2393E+03 -5.8250E+02
OH            4898    0.000000   -0.683000
 -1.8198E+01 -1.7919E+01 -1.6873E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4899    1.008000    0.418000
 -1.7301E+01 -1.8172E+01 -1.7027E+01
  9.4022E+00  2.9039E+00  3.9388E+01
  6.7430E+02  1.2393E+03  6.4209E+03
HC            4900    1.008000    0.040000
 -1.8326E+01 -1.6790E+01 -1.5347E+01
  1.0403E+01  1.0166E+01 -2.4066E+01
 -1.9530E+02 -4.1404E+02  1.2702E+03
HC            4901    1.008000    0.040000
 -1.7738E+01 -1.8329E+01 -1.4800E+01
 -4.1582E+00 -1.3305E+01 -1.0800E+01
 -3.4320E+02 -2.3168E+03 -1.9708E+03
HC            4902    1.008000    0.040000
 -1.9477E+01 -1.8063E+01 -1.5197E+01
  5.4241E+00  1.6378E+01  3.3184E+01
  1.6797E+03 -1.2403E+03  3.6523E+02
CT            4903   12.011000    0.145000
 -1.9753E+01  1.8904E+01  1.5715E+01
 -2.5451E+00 -1.0349E+00  2.0320E+00
 -5.6960E+03  1.7205E+03  2.7724E+03
OH            4904    0.000000   -0.683000
  2.0443E+01  1.8433E+01  1.4587E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4905    1.008000    0.418000
  2.0040E+01  1.9131E+01  1.4093E+01
  2.8889E+00 -6.5864E-01 -3.3321E+00
  2.4454E+03  1.5656E+03  2.4228E+02
HC            4906    1.008000    0.040000
 -1.9142E+01  1.8128E+01  1.6175E+01
  1.6652E+01  1.7661E+01  9.7996E+00
  2.6337E+03  2.3510E+03 -1.1660E+03
HC            4907    1.008000    0.040000
 -2.0368E+01  1.9205E+01  1.6563E+01
  2.6263E+01  2.1842E+01  1.6696E+01
 -5.3107E+02 -9.7593E+02 -1.5336E+03
HC            4908    1.008000    0.040000
 -1.9318E+01  1.9889E+01  1.5544E+01
 -1.5934E+01  5.4421E+00  4.0011E+00
  3.1594E+03 -2.1670E+03 -7.5206E+02
CT            4909   12.011000    0.145000
 -1.3342E+01  1.9720E+01  6.1743E+00
  5.8419E+00  2.3987E-02  5.3628E+00
  1.8032E+03  8.5901E+01  2.7154E+03
OH            4910    0.000000   -0.683000
 -1.4004E+01  1.8700E+01  6.8878E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4911    1.008000    0.418000
 -1.3467E+01  1.8458E+01  7.6266E+00
  1.8507E+01  8.8651E+00 -9.8465E+00
 -1.1834E+03  6.6035E+02  2.6433E+02
HC            4912    1.008000    0.040000
 -1.4042E+01  2.0140E+01  5.4515E+00
 -1.7500E+01 -4.0897E+01  1.0481E+00
  1.2371E+03 -2.2659E+03  6.2858E+02
HC            4913    1.008000    0.040000
 -1.2492E+01  1.9192E+01  5.7424E+00
  6.5831E+00  2.7289E+00  3.4865E+00
  4.6543E+02  2.4000E+03 -2.1052E+03
HC            4914    1.008000    0.040000
 -1.3034E+01  2.0440E+01  6.9326E+00
 -9.6198E+00  1.0694E+01  1.9975E+00
  5.2450E+02  1.0967E+03 -1.3925E+03
CT            4915   12.011000    0.145000
  6.8718E+00 -1.4896E+01  1.3556E+01
 -2.7898E+00  1.7731E-01  1.8499E+00
 -4.0999E+03  1.1441E+03  2.0633E+03
OH            4916    0.000000   -0.683000
  6.1555E+00 -1.5550E+01  1.2532E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4917    1.008000    0.418000
  5.6986E+00 -1.6309E+01  1.2859E+01
  6.8813E+00 -8.0763E+00 -8.5675E+00
  3.0549E+03 -9.6071E+02  1.5715E+03
HC            4918    1.008000    0.040000
  7.1525E+00 -1.3942E+01  1.3110E+01
 -5.2458E+00  7.8831E-01  1.5965E+00
  3.6809E+03 -4.8435E+02  1.6590E+03
HC            4919    1.008000    0.040000
  7.6352E+00 -1.5408E+01  1.4142E+01
  9.0410E+00  9.2706E+00 -5.1592E+00
  2.1075E+03 -7.8766E+02 -3.9982E+03
HC            4920    1.008000    0.040000
  6.2070E+00 -1.4648E+01  1.4383E+01
  1.7117E+00 -6.0091E+00  7.4277E+00
 -1.3493E+03 -8.4245E+02 -4.7955E+02
CT            4921   12.011000    0.145000
  1.1298E+01 -1.6995E+01 -1.8376E+01
 -3.2551E+00  2.2831E+00  4.7612E+00
 -2.0215E+03 -1.6088E+03  8.1883E+02
OH            4922    0.000000   -0.683000
  1.0330E+01 -1.6509E+01 -1.9279E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4923    1.008000    0.418000
  9.5372E+00 -1.6443E+01 -1.8769E+01
 -3.2046E+00 -8.1907E+00 -3.7514E+00
 -1.8040E+03 -1.0452E+03 -2.7057E+03
HC            4924    1.008000    0.040000
  1.0924E+01 -1.7899E+01 -1.7896E+01
 -2.3483E+00  2.4049E+00  5.7022E+00
 -2.2079E+03  1.5934E+03  1.6893E+03
HC            4925    1.008000    0.040000
  1.1642E+01 -1.6295E+01 -1.7615E+01
  9.6127E+00 -8.4785E+00  9.2401E+00
 -1.6194E+03  1.2175E+02 -3.1930E+01
HC            4926    1.008000    0.040000
  1.2231E+01 -1.7434E+01 -1.8730E+01
  5.0992E+00  1.4178E+01  1.1295E+01
  9.1146E+02  4.8976E+03 -2.9680E+03
CT            4927   12.011000    0.145000
  1.6040E+01 -1.7351E+01 -1.3430E+00
  1.1766E+00  6.8573E-01  1.1660E-01
 -6.6119E+02 -7.0991E+02 -3.9270E+02
OH            4928    0.000000   -0.683000
  1.5605E+01 -1.6440E+01 -2.3269E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4929    1.008000    0.418000
  1.5295E+01 -1.5677E+01 -1.8632E+00
 -1.7754E+01 -1.1499E+01  8.1841E+00
  1.9264E+03  5.7572E+02 -1.2428E+03
HC            4930    1.008000    0.040000
  1.6696E+01 -1.7000E+01 -5.4665E-01
  1.1114E+00  1.3393E+01 -5.2000E+00
  4.9673E+02  4.4179E+03 -2.4199E+03
HC            4931    1.008000    0.040000
  1.6576E+01 -1.8221E+01 -1.7224E+00
 -1.0747E+01 -3.1096E-01 -1.5438E+01
 -1.0543E+03  8.5648E+02 -3.0776E+03
HC            4932    1.008000    0.040000
  1.5247E+01 -1.7815E+01 -7.5716E-01
  1.0232E+01 -1.1068E+01  3.4558E+00
 -1.7381E+03  1.0033E+03 -2.1322E+03
CT            4933   12.011000    0.145000
  1.7221E+01  1.5928E+01 -7.5492E+00
 -2.7720E+00  8.0178E-01 -3.4181E-01
  4.5886E+03 -4.7338E+03 -5.7211E+03
OH            4934    0.000000   -0.683000
  1.6802E+01  1.4734E+01 -6.9274E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4935    1.008000    0.418000
  1.5857E+01  1.4733E+01 -6.9140E+00
 -1.0060E-01  7.9511E+00 -1.8112E+00
  2.0666E+01  5.3414E+02 -1.8037E+03
HC            4936    1.008000    0.040000
  1.6552E+01  1.6748E+01 -7.8100E+00
  1.2414E+01  1.9714E+01  1.6749E+01
  2.1121E+02  4.0417E+02  4.5704E+03
HC            4937    1.008000    0.040000
  1.7593E+01  1.5609E+01 -8.5227E+00
  2.6780E+01 -9.5836E+00  1.3160E+01
  7.0354E+00 -1.5615E+02  5.0469E+02
HC            4938    1.008000    0.040000
  1.8194E+01  1.6151E+01 -7.1109E+00
  7.1922E+00  1.7971E+01 -2.8486E+01
 -1.7508E+03  5.1323E+03 -7.0806E+02
CT            4939   12.011000    0.145000
  6.9982E+00  3.3923E+00 -5.0270E-01
 -1.9845E-02 -3.0106E-01 -3.7824E-02
 -8.2533E+02  3.0879E+02 -1.2810E+03
OH            4940    0.000000   -0.683000
  8.1846E+00  3.4100E+00 -1.2644E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4941    1.008000    0.418000
  8.7680E+00  4.0105E+00 -8.2616E-01
  1.8035E+01 -1.6893E+01  5.3761E-01
 -1.1236E+03  8.4007E+02 -1.3990E+03
HC            4942    1.008000    0.040000
  6.2092E+00  2.9273E+00 -1.0937E+00
 -1.2681E+01  2.8705E+01 -7.7511E+00
 -8.7348E+02  1.1974E+03  1.6649E+03
HC            4943    1.008000    0.040000
  6.8259E+00  4.4673E+00 -4.5109E-01
 -4.6350E+00 -1.5497E+00  1.5986E+01
 -3.1141E+03 -6.7069E+02  1.9189E+03
HC            4944    1.008000    0.040000
  7.2492E+00  2.9232E+00  4.4866E-01
  2.3987E+01  1.1402E+01  1.4775E-01
 -1.2751E+03  1.9314E+03  3.5591E+02
CT            4945   12.011000    0.145000
  5.4229E+00  9.4934E-02  1.9894E+01
 -8.0298E+00  1.3107E+00 -3.4846E-01
 -1.6632E+03 -3.9342E+03  4.8684E+03
OH            4946    0.000000   -0.683000
  5.2798E+00 -1.0482E+00  1.9081E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4947    1.008000    0.418000
  4.7078E+00 -1.6466E+00  1.9537E+01
  3.6618E+00  7.5454E+00  1.5159E+01
  1.6221E+03 -2.0157E+02  1.3005E+03
HC            4948    1.008000    0.040000
  4.4321E+00  5.2494E-01  2.0040E+01
 -1.3061E-01  1.8694E+01  4.7065E+00
  1.1903E+03  1.8942E+03  1.5826E+03
HC            4949    1.008000    0.040000
  6.1480E+00  8.5755E-01  1.9610E+01
 -1.6614E+01  3.6494E+00 -1.7271E+01
 -5.3050E+02 -9.2637E+02 -1.3049E+03
HC            4950    1.008000    0.040000
  5.7153E+00 -4.8940E-01 -2.0134E+01
 -1.6539E+01 -9.3237E+00 -4.3879E+00
  5.0069E+02  3.6292E+03  2.3145E+03
CT            4951   12.011000    0.145000
 -3.2173E+00 -1.6559E+01 -1.1373E+01
  7.9580E-01  2.2223E-01 -3.1952E+00
  4.3011E+02  3.7488E+03  9.4714E+02
OH            4952    0.000000   -0.683000
 -1.8606E+00 -1.6760E+01 -1.1045E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4953    1.008000    0.418000
 -1.8750E+00 -1.7111E+01 -1.0168E+01
 -2.2785E+01  2.5188E+00  1.2326E+00
 -1.0813E+03  6.1169E+02 -2.6434E+02
HC            4954    1.008000    0.040000
 -3.2757E+00 -1.6055E+01 -1.2337E+01
  1.5827E+01 -1.1526E+01 -1.0687E+01
 -6.8308E+02 -2.4432E+03 -9.8436E+02
HC            4955    1.008000    0.040000
 -3.6514E+00 -1.5862E+01 -1.0656E+01
 -2.1650E+01 -2.2327E+01  6.7068E+00
 -4.2032E+02 -1.9324E+03  7.9206E+02
HC            4956    1.008000    0.040000
 -3.8481E+00 -1.7446E+01 -1.1309E+01
 -4.1049E+00  2.2271E+00 -1.9270E+01
  4.9506E+02  1.3352E+02 -1.2803E+03
CT            4957   12.011000    0.145000
 -5.8628E+00  4.8562E+00 -3.0700E+00
  4.4129E+00 -7.1792E-01 -4.4151E-01
 -5.3497E+03  1.1540E+04  5.2115E+03
OH            4958    0.000000   -0.683000
 -5.8240E+00  4.3210E+00 -1.7661E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4959    1.008000    0.418000
 -6.5384E+00  4.6917E+00 -1.2710E+00
 -5.3423E+00 -1.3636E+01  2.9541E+00
 -1.2183E+03 -2.7305E+01 -2.2139E+03
HC            4960    1.008000    0.040000
 -5.7784E+00  5.8676E+00 -2.6724E+00
  5.5406E+00 -7.0610E+00  1.6259E+01
 -1.1328E+03  1.8259E+03 -3.1451E+03
HC            4961    1.008000    0.040000
 -6.9164E+00  4.6722E+00 -3.2800E+00
  5.7457E+00  1.1555E+01 -2.0536E+01
  1.2348E+03  7.0679E+02 -7.5129E+03
HC            4962    1.008000    0.040000
 -5.0393E+00  4.8127E+00 -3.7828E+00
 -8.2631E-01  8.8754E+00 -7.3138E+00
 -1.7459E+03 -1.9190E+03 -5.3855E+02
CT            4963   12.011000    0.145000
  4.4901E-01  4.8678E-01 -1.4706E+01
 -3.4470E+00 -9.5632E-01  2.5049E+00
  1.1971E+03 -1.9251E+02 -3.8562E+03
OH            4964    0.000000   -0.683000
  9.2165E-01 -8.3441E-01 -1.4568E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4965    1.008000    0.418000
  6.9572E-01 -1.2697E+00 -1.5376E+01
 -1.3769E+01 -6.6204E+00  7.0671E+00
 -1.2866E+03 -2.8484E+03  2.0300E+03
HC            4966    1.008000    0.040000
  8.7723E-01  1.2100E+00 -1.4012E+01
 -3.0753E+00  1.4435E+01 -1.3073E+01
 -1.2983E+03  4.8128E+00 -1.9713E+02
HC            4967    1.008000    0.040000
 -6.3058E-01  5.0918E-01 -1.4855E+01
 -3.0112E+00 -1.0798E+01 -3.0019E+00
  8.9283E+01  1.0648E+03  1.3767E+03
HC            4968    1.008000    0.040000
  8.3340E-01  5.8843E-01 -1.5721E+01
 -4.2221E+01 -1.1405E+00 -1.3947E+01
 -9.8631E+02  4.4832E+03  1.4796E+03
CT            4969   12.011000    0.145000
 -1.4566E+01  7.3548E-02 -1.6552E+01
  1.4306E+00 -3.1335E+00 -1.2780E+00
 -2.6331E+03  7.4387E+02  2.1665E+03
OH            4970    0.000000   -0.683000
 -1.3731E+01 -3.0875E-03 -1.5419E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4971    1.008000    0.418000
 -1.4320E+01 -1.0809E-01 -1.4688E+01
  1.1586E+01  1.1760E+01  1.1576E+01
  3.6330E+03 -1.6047E+03  2.3537E+03
HC            4972    1.008000    0.040000
 -1.4079E+01 -1.5242E-02 -1.7524E+01
  8.2650E+00 -1.2752E+00  1.9172E+00
  1.0805E+03 -7.2423E+02  9.3440E+02
HC            4973    1.008000    0.040000
 -1.5213E+01  9.5117E-01 -1.6569E+01
 -1.5739E+01 -1.4994E+01  8.4323E+00
  2.0603E+03  9.3904E+02  9.1102E+02
HC            4974    1.008000    0.040000
 -1.5368E+01 -6.5595E-01 -1.6436E+01
 -1.8343E+00  1.0890E-01 -3.2284E+00
  1.3548E+03 -1.7836E+03 -1.1784E+03
CT            4975   12.011000    0.145000
  1.8703E+01  4.1059E+00 -6.6754E+00
  7.5185E+00 -6.9310E+00  1.0262E+00
 -1.4199E+03  8.8602E+02 -1.3353E+03
OH            4976    0.000000   -0.683000
  1.9177E+01  4.4455E+00 -7.9591E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4977    1.008000    0.418000
  1.8633E+01  5.1987E+00 -8.1305E+00
 -2.3498E+01 -1.9771E+01 -2.0129E+01
  2.4852E+03 -7.1020E+02 -3.4636E+03
HC            4978    1.008000    0.040000
  1.8348E+01  5.0366E+00 -6.2329E+00
  2.1592E+01 -2.6556E+00  3.8373E+00
  2.7384E+03  4.5158E+02  1.2446E+03
HC            4979    1.008000    0.040000
  1.9428E+01  3.6377E+00 -6.0095E+00
  7.7379E+00 -1.2840E+01 -3.2870E+00
  1.4444E+01 -2.9622E+02 -5.7493E+02
HC            4980    1.008000    0.040000
  1.7757E+01  3.5693E+00 -6.7468E+00
  7.5170E-01  6.6898E+00 -2.2974E+01
  1.9527E+03 -1.7888E+03 -1.2922E+03
CT            4981   12.011000    0.145000
  1.0288E+01 -1.5617E+01  6.9036E-01
  6.6194E-01  7.0056E+00  4.1775E+00
  1.5299E+02  1.5969E+03 -5.7429E+02
OH            4982    0.000000   -0.683000
  9.0427E+00 -1.5202E+01  1.7481E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4983    1.008000    0.418000
  8.4569E+00 -1.5513E+01  8.4762E-01
  1.9091E+00  1.7359E+00  2.4866E+00
 -2.3953E+03  4.0345E+02 -1.9992E+03
HC            4984    1.008000    0.040000
  1.0440E+01 -1.6665E+01  4.3263E-01
  9.5319E+00  1.0431E+01 -5.2008E+00
  4.2217E+02  1.2442E+02  1.0438E+03
HC            4985    1.008000    0.040000
  1.0250E+01 -1.5448E+01  1.7665E+00
  6.6313E-02  9.1082E+00  3.8312E+00
  7.5742E+02 -9.3173E+02  1.2728E+02
HC            4986    1.008000    0.040000
  1.1133E+01 -1.5049E+01  3.0352E-01
 -9.7843E+00  1.0919E+01 -1.4094E+01
 -9.0591E+02 -1.9635E+01 -1.4282E+03
CT            4987   12.011000    0.145000
  1.5198E+01 -6.3105E+00  1.7280E+01
 -1.4006E+00  2.8700E+00  2.0153E+00
 -4.4531E+03  3.1465E+03  2.2774E+03
OH            4988    0.000000   -0.683000
  1.5186E+01 -7.1280E+00  1.8429E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4989    1.008000    0.418000
  1.4353E+01 -7.0383E+00  1.8865E+01
  3.7028E+00  2.0020E+01  3.9459E+00
 -1.2004E+03  7.4494E+02 -3.5384E+03
HC            4990    1.008000    0.040000
  1.4639E+01 -5.4812E+00  1.7713E+01
  9.6931E+00  8.3049E+00  6.3249E+00
 -9.8487E+02  1.4974E+03 -3.5805E+03
HC            4991    1.008000    0.040000
  1.4671E+01 -6.9361E+00  1.6560E+01
  9.2617E+00 -6.7158E+00  2.2508E+00
  1.1403E+03  2.7891E+03 -2.7279E+03
HC            4992    1.008000    0.040000
  1.6182E+01 -5.8922E+00  1.7068E+01
 -1.5492E+00  1.3206E+01  1.9723E+01
 -3.5955E+02 -2.5846E+03 -1.9672E+03
CT            4993   12.011000    0.145000
 -9.6670E+00 -1.5118E+01 -1.3226E+00
  5.9063E-02 -4.4982E+00 -1.7791E+00
 -3.7961E+03 -5.2386E+03 -1.4580E+03
OH            4994    0.000000   -0.683000
 -9.9265E+00 -1.4606E+01 -2.6107E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4995    1.008000    0.418000
 -9.4556E+00 -1.5061E+01 -3.2923E+00
 -8.1522E+00 -1.6228E+01  4.6787E+00
  1.5270E+03 -1.4891E+03  2.4627E+03
HC            4996    1.008000    0.040000
 -8.5978E+00 -1.5268E+01 -1.1729E+00
 -2.1256E+00 -1.0615E+01  8.6886E+00
 -5.4577E+02  2.0881E+03  3.3438E+03
HC            4997    1.008000    0.040000
 -1.0163E+01 -1.6073E+01 -1.1524E+00
  2.6787E+00 -4.6731E+00  5.1995E+00
  1.6911E+03 -1.6464E+03 -1.5703E+03
HC            4998    1.008000    0.040000
 -1.0306E+01 -1.4527E+01 -6.6651E-01
 -5.3756E-01 -8.2901E+00  1.0911E+00
  4.7924E+03  1.3701E+03  3.0656E+03
CT            4999   12.011000    0.145000
  1.4811E+01 -1.7142E+01  1.6667E+01
  1.8868E-01 -5.5619E+00 -1.8818E+00
  3.1384E+03  2.3503E+03 -4.8719E+02
OH            5000    0.000000   -0.683000
  1.5431E+01 -1.7523E+01  1.7874E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5001    1.008000    0.418000
  1.5087E+01 -1.8402E+01  1.7926E+01
  4.0241E+00 -1.0756E+00  1.1330E+01
  4.5509E+03 -1.6305E+03  2.0075E+03
HC            5002    1.008000    0.040000
  1.5508E+01 -1.7470E+01  1.5896E+01
 -6.0697E+00 -1.6266E+01 -3.2004E+00
 -1.9718E+03 -1.0623E+03 -1.4550E+03
HC            5003    1.008000    0.040000
  1.4710E+01 -1.6067E+01  1.6521E+01
  4.7662E+00 -5.6227E+00 -5.7313E+00
  9.3621E+02  4.1104E+02  1.4149E+03
HC            5004    1.008000    0.040000
  1.3820E+01 -1.7549E+01  1.6464E+01
  5.4947E+00 -7.4601E+00 -2.7379E+01
  1.4704E+03 -1.1900E+03  2.1742E+02
CT            5005   12.011000    0.145000
  7.2537E-02  4.0314E+00  1.0600E+01
  4.1994E+00  3.0974E-01  3.0465E+00
  4.0269E+02 -6.1581E+03 -4.5793E+03
OH            5006    0.000000   -0.683000
 -5.6700E-01  3.2154E+00  1.1556E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5007    1.008000    0.418000
 -9.9636E-01  3.9154E+00  1.2023E+01
 -1.7200E+01  3.5080E+00 -1.9567E+01
 -5.8550E+02 -3.2798E+03  2.3987E+03
HC            5008    1.008000    0.040000
  8.3517E-01  3.3896E+00  1.0159E+01
  7.2624E+00  4.0349E+00  2.8694E+00
  2.0917E+03  1.5877E+03  7.7344E+01
HC            5009    1.008000    0.040000
  4.9747E-01  4.9958E+00  1.0878E+01
  3.6959E+00  5.2589E+00 -1.2387E+01
 -5.7702E+02 -9.8221E+02  8.8334E+02
HC            5010    1.008000    0.040000
 -6.1310E-01  4.1298E+00  9.7585E+00
  5.7282E-01 -7.6809E+00  4.9702E+00
 -5.1518E+02  2.4558E+03  6.2550E+02
CT            5011   12.011000    0.145000
  1.9156E+01 -9.9019E+00  9.3167E+00
 -4.6455E-02  2.8412E-01 -8.0827E-01
 -2.7127E+03 -1.8225E+03 -5.2586E+03
OH            5012    0.000000   -0.683000
  2.0301E+01 -1.0655E+01  8.9870E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5013    1.008000    0.418000
 -1.9969E+01 -9.9941E+00  9.2308E+00
  3.1769E+00 -1.6996E+00 -3.4916E+00
  2.9008E+03 -2.8245E+03  1.4993E+02
HC            5014    1.008000    0.040000
  1.8311E+01 -1.0590E+01  9.2926E+00
  2.8808E+00 -3.3471E+00 -2.5095E+01
 -6.7038E+02  1.2484E+03 -1.2147E+03
HC            5015    1.008000    0.040000
  1.8890E+01 -9.2115E+00  8.5163E+00
 -5.3225E+01 -2.5306E+01 -9.6418E+00
  9.7261E+01 -2.0742E+03  2.2647E+03
HC            5016    1.008000    0.040000
  1.9094E+01 -9.3795E+00  1.0271E+01
  9.0626E+00  6.7041E-03  2.2864E-02
  3.3173E+03 -7.7548E+02  1.5160E+02
CT            5017   12.011000    0.145000
  1.2249E+01  1.5724E+01 -6.8581E-01
 -2.9219E+00 -2.7750E+00  3.1140E+00
 -2.0188E+03 -2.6759E+03  3.5388E+03
OH            5018    0.000000   -0.683000
  1.2870E+01  1.4550E+01 -1.1585E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5019    1.008000    0.418000
  1.2722E+01  1.3936E+01 -4.5486E-01
 -2.4874E+00 -8.5924E-01 -1.2596E+00
  1.0661E+03 -8.4532E+02 -5.3768E+02
HC            5020    1.008000    0.040000
  1.2734E+01  1.6341E+01  7.1172E-02
 -1.0788E+00  2.6882E+01 -2.0341E+01
  3.3182E+03 -2.0484E+03 -2.3396E+03
HC            5021    1.008000    0.040000
  1.1310E+01  1.5524E+01 -1.7145E-01
 -1.5429E+01  2.4977E+00 -1.6580E+01
  8.6272E+01 -3.0505E+03 -1.3812E+03
HC            5022    1.008000    0.040000
  1.1874E+01  1.6497E+01 -1.3561E+00
  8.4503E+00  6.5129E+00  7.1152E+00
  3.1466E+03 -1.9779E+03 -3.2010E+03
CT            5023   12.011000    0.145000
 -9.8752E+00 -1.0742E+01  9.6408E+00
 -9.8585E-01  2.7346E-01  2.5439E+00
  1.7864E+03 -1.0202E+03 -2.6234E+03
OH            5024    0.000000   -0.683000
 -8.8436E+00 -9.8285E+00  9.9394E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5025    1.008000    0.418000
 -8.9073E+00 -9.6548E+00  1.0866E+01
 -3.0989E+01  3.1225E+00 -1.6640E+00
 -3.9123E+03 -1.4204E+03 -5.8972E+02
HC            5026    1.008000    0.040000
 -9.4957E+00 -1.1197E+01  8.7259E+00
 -7.0681E+00 -2.2772E+01  1.0785E+01
 -2.4988E+03 -1.6561E+03 -5.1363E+01
HC            5027    1.008000    0.040000
 -1.0809E+01 -1.0219E+01  9.4326E+00
  2.1798E+00  6.9306E+00  4.7894E+00
 -6.1277E+02 -9.0829E+02  1.5369E+03
HC            5028    1.008000    0.040000
 -9.9193E+00 -1.1532E+01  1.0390E+01
 -1.4901E+00 -8.2997E+00 -6.3186E+00
 -1.4933E+03 -9.4966E+01 -5.1989E+02
CT            5029   12.011000    0.145000
  1.9240E+01 -1.0226E+01 -1.3100E+01
 -1.0287E+00 -1.0683E+00 -6.4602E+00
 -1.8313E+03 -1.1132E+03  1.9774E+03
OH            5030    0.000000   -0.683000
  1.8285E+01 -9.1883E+00 -1.3112E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5031    1.008000    0.418000
  1.8811E+01 -8.4054E+00 -1.3169E+01
  2.6639E+00 -1.7910E+00 -2.0451E-01
 -4.1408E+03  2.6035E+03 -3.4715E+02
HC            5032    1.008000    0.040000
  1.9015E+01 -1.0850E+01 -1.2234E+01
 -3.0267E+01  6.8806E+00 -7.2511E+00
 -2.8210E+03 -8.5555E+02 -1.8317E+03
HC            5033    1.008000    0.040000
  2.0287E+01 -9.9814E+00 -1.2921E+01
 -4.8743E+00  3.3638E+01 -2.3080E+01
 -1.4723E+03  4.0088E+03 -2.2361E+03
HC            5034    1.008000    0.040000
  1.9172E+01 -1.0821E+01 -1.4011E+01
  5.7123E-01 -1.2631E+01  7.6261E-01
  1.5905E+02 -2.5916E+01  3.0430E+02
CT            5035   12.011000    0.145000
  1.9140E+01  1.8877E+01  6.7742E+00
 -6.7193E+00 -3.0803E+00 -5.4064E-02
 -3.4397E+03 -5.8975E+03 -3.0402E+02
OH            5036    0.000000   -0.683000
  1.9234E+01  1.8666E+01  8.1652E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5037    1.008000    0.418000
  1.8348E+01  1.8711E+01  8.4925E+00
 -1.8383E+00  1.0245E+01 -5.9261E+00
  4.7623E+02  1.9058E+03  7.3585E+02
HC            5038    1.008000    0.040000
  2.0144E+01  1.8688E+01  6.3934E+00
  3.3527E+00 -6.5496E+00  2.6113E+01
 -1.8311E+03  1.4807E+03 -2.0992E+03
HC            5039    1.008000    0.040000
  1.8693E+01  1.9822E+01  6.4646E+00
  9.0793E+00  2.3842E+00 -7.2553E+00
  6.9820E+02 -2.2006E+02  2.8216E+02
HC            5040    1.008000    0.040000
  1.8511E+01  1.8046E+01  6.4553E+00
  2.0699E+01 -3.3211E+01  1.8149E+01
  1.7028E+03  6.7046E+02 -7.4277E+02
CT            5041   12.011000    0.145000
 -2.0209E+01  1.1440E+01 -1.6243E+01
 -2.7900E-01  7.3996E+00 -2.3485E+00
  6.7968E+03 -1.0842E+03  2.5583E+03
OH            5042    0.000000   -0.683000
 -1.9683E+01  1.1055E+01 -1.7493E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5043    1.008000    0.418000
 -2.0020E+01  1.1720E+01 -1.8074E+01
 -2.2353E+01  1.3267E+01  2.5894E+01
 -8.3911E+01  6.2574E+02  2.5950E+03
HC            5044    1.008000    0.040000
  1.9653E+01  1.1669E+01 -1.6001E+01
 -5.3468E+00 -1.7853E+01  2.6845E+00
  2.0971E+02 -3.7447E+02 -4.3278E+03
HC            5045    1.008000    0.040000
 -1.9531E+01  1.2137E+01 -1.5750E+01
 -8.4197E+00  1.5842E+01 -2.7976E+00
 -1.0569E+03  2.2850E+03 -9.4951E+02
HC            5046    1.008000    0.040000
 -1.9995E+01  1.0534E+01 -1.5676E+01
  2.8816E+00  8.7780E-01 -1.3635E+01
 -1.0928E+03  2.0202E+03  3.4400E+03
CT            5047   12.011000    0.145000
  1.8342E+00 -1.8493E+01 -2.0078E+00
  2.2702E+00  1.9650E+00  3.3957E+00
 -2.4199E+03 -1.8092E+03 -4.7618E+03
OH            5048    0.000000   -0.683000
  9.2406E-01 -1.7416E+01 -2.0284E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5049    1.008000    0.418000
  1.3236E+00 -1.6702E+01 -2.5018E+00
  1.2102E+01 -9.9800E+00 -5.4141E+00
  8.3020E+01 -2.3841E+02  2.8133E+02
HC            5050    1.008000    0.040000
  1.2447E+00 -1.9389E+01 -1.8156E+00
 -1.0212E+01  1.0912E+01  8.1870E+00
 -4.7838E+02  3.5945E+02 -1.6267E+01
HC            5051    1.008000    0.040000
  2.7001E+00 -1.8594E+01 -1.3536E+00
  5.5387E-01 -6.2318E+00  4.5012E+00
 -6.3236E+02  4.1411E+03  4.6325E+02
HC            5052    1.008000    0.040000
  2.1614E+00 -1.8509E+01 -3.0474E+00
 -1.0824E+01  1.4674E+01 -1.2713E+00
  7.9641E+02 -1.2200E+03  3.9826E+02
CT            5053   12.011000    0.145000
 -7.1481E+00  1.8420E+01  1.2737E+01
  6.8648E-01 -2.1092E+00  8.6402E-01
  1.5893E+03  9.1262E+02  2.3053E+03
OH            5054    0.000000   -0.683000
 -5.9852E+00  1.8475E+01  1.1942E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5055    1.008000    0.418000
 -5.8551E+00  1.9358E+01  1.1630E+01
 -8.6671E+00  5.5128E+00  1.1234E+01
 -2.3444E+03  1.1805E+03  2.4899E+03
HC            5056    1.008000    0.040000
 -7.3017E+00  1.7363E+01  1.2955E+01
 -1.8376E+00  3.8259E-01  1.1763E+01
 -2.8332E+03  6.8418E+02  6.0305E+02
HC            5057    1.008000    0.040000
 -7.9949E+00  1.8907E+01  1.2254E+01
  6.3914E+00 -9.0293E+00 -1.6933E+01
  1.1559E+02 -2.5108E+02  7.9490E+02
HC            5058    1.008000    0.040000
 -6.7327E+00  1.8908E+01  1.3619E+01
  2.8543E+00 -5.4641E+00  1.7204E+00
 -3.9153E+03  7.5763E+02  1.6177E+03
CT            5059   12.011000    0.145000
  1.4716E+01 -2.0017E+01  9.2737E+00
 -3.7222E+00 -4.0038E+00 -1.1324E-02
  8.6969E+02  2.0845E+03  4.2318E+02
OH            5060    0.000000   -0.683000
  1.3971E+01 -1.9315E+01  8.3038E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5061    1.008000    0.418000
  1.4025E+01 -1.9841E+01  7.5205E+00
  7.4567E+00 -1.1991E+01  8.2196E+00
 -9.9473E+02  1.0773E+03 -3.2501E+02
HC            5062    1.008000    0.040000
  1.5676E+01 -2.0200E+01  8.7912E+00
  2.0655E+00  8.5631E+00  6.2546E+00
  1.6347E+02 -2.1624E+03  1.7687E+03
HC            5063    1.008000    0.040000
  1.4248E+01  1.9983E+01  9.6719E+00
  9.6643E+00 -1.9382E+01 -1.7259E+01
  6.4839E+02 -7.6018E+02 -2.5733E+03
HC            5064    1.008000    0.040000
  1.4939E+01 -1.9359E+01  1.0113E+01
 -2.1654E+00  1.4939E+01 -1.4582E+01
 -9.3199E+01  6.8208E+02 -8.9910E+02
CT            5065   12.011000    0.145000
 -1.3766E+01 -1.3253E+00  1.5677E+01
  1.8378E+00 -6.1269E-02  5.3232E-02
  9.4758E+03 -7.3799E+01  1.6655E+03
OH            5066    0.000000   -0.683000
 -1.3715E+01  6.3230E-02  1.5438E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5067    1.008000    0.418000
 -1.4434E+01  2.1275E-01  1.4843E+01
  7.5848E+00  5.8371E+01 -3.2124E-01
  3.8825E+03  6.6079E+03  2.4304E+02
HC            5068    1.008000    0.040000
 -1.4621E+01 -1.8624E+00  1.6088E+01
  1.2973E+01 -1.3615E+01  6.3376E+00
 -1.6671E+03  3.1949E+03 -2.6199E+03
HC            5069    1.008000    0.040000
 -1.3063E+01 -1.6917E+00  1.6425E+01
 -1.1331E+01  7.9626E+00  1.7046E+01
  9.3652E+02  3.5228E+03  1.2295E+03
HC            5070    1.008000    0.040000
 -1.3340E+01 -1.8355E+00  1.4813E+01
 -1.0377E+01 -9.4437E+00 -7.0802E-01
 -3.3512E+03 -6.2279E+02 -1.4851E+03
CT            5071   12.011000    0.145000
 -5.9785E+00  2.0353E+00  2.7836E+00
  3.5829E+00  5.6972E+00 -1.7426E+00
  1.7992E+03  1.9196E+03  9.8880E+03
OH            5072    0.000000   -0.683000
 -7.1538E+00  2.8042E+00  2.9085E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5073    1.008000    0.418000
 -7.4216E+00  2.8788E+00  3.8117E+00
 -4.9944E-01 -2.2869E+01  2.3275E+00
  5.2019E+03  3.9939E+02  8.1498E+02
HC            5074    1.008000    0.040000
 -5.9158E+00  1.2490E+00  3.5359E+00
 -2.1618E+01  9.2895E+00  5.0364E+00
 -4.5734E+03 -1.5804E+03 -1.0712E+03
HC            5075    1.008000    0.040000
 -5.1844E+00  2.6030E+00  3.2685E+00
  1.4595E+01  2.1557E+00 -1.4992E+01
  4.3382E+02  2.3339E+03 -2.5543E+03
HC            5076    1.008000    0.040000
 -5.5074E+00  1.6456E+00  1.8812E+00
  2.7520E+01  1.2122E+01  7.2108E+00
 -4.4475E+03  2.4161E+03 -1.1987E+03
CT            5077   12.011000    0.145000
 -1.5128E+01  1.3826E+01 -3.6183E+00
 -3.8309E+00 -3.2473E+00  7.3770E+00
  2.0729E+03  1.3354E+03  1.1937E+03
OH            5078    0.000000   -0.683000
 -1.4100E+01  1.2866E+01 -3.5173E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5079    1.008000    0.418000
 -1.3494E+01  1.3250E+01 -2.9020E+00
 -5.2532E+00 -2.9627E+00  7.1639E+00
  8.3962E+02 -1.5527E+03 -1.2528E+01
HC            5080    1.008000    0.040000
 -1.5947E+01  1.3545E+01 -2.9550E+00
 -2.3955E+01  1.0729E+00 -1.4275E+01
 -8.1564E+02  1.3520E+03 -1.5947E+03
HC            5081    1.008000    0.040000
 -1.5464E+01  1.3898E+01 -4.6530E+00
 -1.5886E+01  1.2758E+01  1.1997E+01
 -3.3066E+03 -1.3742E+03  1.4713E+03
HC            5082    1.008000    0.040000
 -1.4836E+01  1.4871E+01 -3.5161E+00
  1.7109E+01 -1.8813E+00 -4.0068E+01
  1.7333E+03 -3.0662E+03  9.2583E+02
CT            5083   12.011000    0.145000
  1.9036E+01 -1.4847E+01 -5.2098E+00
 -3.1953E+00  1.6969E+00 -1.3787E+00
 -4.7300E+03  2.6085E+03 -1.8212E+03
OH            5084    0.000000   -0.683000
  1.8251E+01 -1.5616E+01 -4.3267E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5085    1.008000    0.418000
  1.7780E+01 -1.6227E+01 -4.8722E+00
  8.6862E+00  1.4687E+01 -2.5703E+01
 -1.0316E+03  1.8356E+03  5.8815E+02
HC            5086    1.008000    0.040000
  1.9308E+01 -1.5549E+01 -5.9979E+00
  1.5289E+01 -3.3186E+00  8.8595E+00
  5.7137E+03  1.6271E+03  8.1398E+02
HC            5087    1.008000    0.040000
  1.9712E+01 -1.4272E+01 -4.5764E+00
 -1.2882E+01 -2.0511E+00  1.2849E+01
  3.6886E+03 -2.9267E+03 -2.6598E+03
HC            5088    1.008000    0.040000
  1.8437E+01 -1.4088E+01 -5.7135E+00
 -1.5928E+01 -1.2339E+01 -8.1822E+00
 -1.3973E+03 -1.0309E+03 -2.7113E+02
CT            5089   12.011000    0.145000
  2.0076E+01 -3.7302E+00  1.4264E+01
  1.0213E+00 -2.5614E-01 -1.9278E+00
 -4.9157E+01  1.6604E+02 -4.4188E+02
OH            5090    0.000000   -0.683000
  1.9116E+01 -4.6912E+00  1.3886E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5091    1.008000    0.418000
  1.9436E+01 -4.8245E+00  1.3007E+01
  2.3220E+00  1.2564E+01 -1.2493E+00
 -4.7581E+03 -5.4321E+03 -2.4032E+02
HC            5092    1.008000    0.040000
 -2.0186E+01 -3.4292E+00  1.3433E+01
  1.7050E+01 -1.1329E+01  5.8432E+00
  1.6660E+02 -1.7446E+03 -1.0630E+02
HC            5093    1.008000    0.040000
 -2.0157E+01 -4.1535E+00  1.5015E+01
 -1.4741E-01  1.1591E+01  6.0630E+00
 -4.3342E+01  1.0227E+03  3.6860E+02
HC            5094    1.008000    0.040000
  1.9652E+01 -2.7956E+00  1.4631E+01
 -1.6093E+01 -1.5942E+01  2.1153E+01
 -1.1756E+03 -1.9211E+03  1.4854E+03
CT            5095   12.011000    0.145000
 -1.6258E+01  2.3475E-01  3.8979E-01
 -1.6726E+00  5.5315E+00  6.8452E+00
 -2.4198E+03  2.3930E+03  5.7241E+02
OH            5096    0.000000   -0.683000
 -1.7341E+01 -5.8325E-01  7.7470E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5097    1.008000    0.418000
 -1.8189E+01 -2.0647E-01  5.9837E-01
 -7.9210E-01  1.8009E+00  7.3303E+00
  1.7174E+03  3.5819E+03 -1.8843E+02
HC            5098    1.008000    0.040000
 -1.5543E+01 -3.2486E-01 -2.1297E-01
 -1.4986E+01  3.6221E+00 -7.8388E+00
 -4.1892E+02  9.7886E+02 -3.0894E+02
HC            5099    1.008000    0.040000
 -1.5847E+01  5.9924E-01  1.3311E+00
 -1.4185E+01  2.5612E+01  5.1360E+00
  5.9947E+02  2.3185E+03 -1.5917E+03
HC            5100    1.008000    0.040000
 -1.6690E+01  1.0363E+00 -2.0937E-01
  2.7504E+01  1.7386E+01 -6.9174E-02
  2.9649E+03  1.2516E+03  2.6493E+02
CT            5101   12.011000    0.145000
  8.2198E+00 -2.9856E+00  1.4715E+01
 -1.8092E-01  1.2968E+00  1.8891E+00
 -1.5461E+02 -2.2330E+03 -2.5064E+03
OH            5102    0.000000   -0.683000
  7.1199E+00 -2.3124E+00  1.4145E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5103    1.008000    0.418000
  6.5969E+00 -1.9447E+00  1.4841E+01
  1.8377E+00 -3.0976E+00  3.0501E+00
  9.3438E+02 -3.3317E+02  8.7237E+02
HC            5104    1.008000    0.040000
  8.9928E+00 -2.2488E+00  1.4934E+01
  3.5357E+00 -4.6881E+00  9.4091E+00
  1.1800E+03 -1.7966E+03  8.6440E+02
HC            5105    1.008000    0.040000
  8.4498E+00 -3.6272E+00  1.3865E+01
  9.7346E+00  1.0177E+00  4.6570E+00
  3.9266E+03 -3.9954E+02  9.8115E+02
HC            5106    1.008000    0.040000
  7.9532E+00 -3.6621E+00  1.5527E+01
  4.6288E+00 -1.0598E+01 -6.1596E+00
  6.1859E+02  1.3549E+03  8.6941E+02
CT            5107   12.011000    0.145000
 -3.3529E+00 -1.6435E+00  1.8673E+01
  2.7575E+00  2.5656E+00 -4.5229E-03
  1.4484E+03  3.9487E+03 -4.3810E+03
OH            5108    0.000000   -0.683000
 -2.4833E+00 -2.5847E+00  1.8085E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5109    1.008000    0.418000
 -1.9042E+00 -2.1042E+00  1.7513E+01
  7.9209E+00  9.9291E+00  1.5661E+01
 -6.5369E+02  1.0410E+01  9.0319E+01
HC            5110    1.008000    0.040000
 -2.7437E+00 -8.8085E-01  1.9158E+01
 -5.5622E+00  4.4097E+00  7.8194E+00
 -1.1860E+03 -1.1798E+03  3.6139E+03
HC            5111    1.008000    0.040000
 -4.1870E+00 -2.0699E+00  1.9230E+01
 -6.4953E+00 -9.4536E-01 -1.5910E+01
  1.9466E+03  4.2519E+00  1.1699E+03
HC            5112    1.008000    0.040000
 -3.8505E+00 -1.0077E+00  1.7941E+01
 -1.1159E+01 -6.4184E-01  6.3321E+00
 -8.5306E+02 -1.8546E+03 -1.3285E+03
CT            5113   12.011000    0.145000
 -1.6352E+01 -7.9234E+00 -1.9203E+01
  6.0017E+00 -1.9320E+00  3.4601E+00
 -2.4778E+03  7.5387E+02 -1.9969E+03
OH            5114    0.000000   -0.683000
 -1.5650E+01 -7.9069E+00 -2.0426E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5115    1.008000    0.418000
 -1.5959E+01 -8.6410E+00  1.9965E+01
 -1.6009E+01 -6.9264E+00  1.8434E+01
 -8.3950E+02  1.3022E+03 -1.0457E+02
HC            5116    1.008000    0.040000
 -1.7433E+01 -7.8965E+00 -1.9341E+01
  7.9010E+00  5.2885E+00 -1.2326E+01
  2.4081E+02 -1.8371E+03 -2.3355E+03
HC            5117    1.008000    0.040000
 -1.6258E+01 -6.9967E+00 -1.8637E+01
  1.0622E+01 -1.2981E-01 -1.8652E-01
  3.3656E+03 -9.9458E+01 -4.8260E+02
HC            5118    1.008000    0.040000
 -1.6108E+01 -8.8103E+00 -1.8619E+01
  3.9720E+00 -9.5131E+00 -6.9019E+00
  5.5611E+02  4.8863E+02 -1.6724E+02
CT            5119   12.011000    0.145000
 -3.6957E+00 -1.0476E+01 -3.7806E+00
 -2.7432E-01 -1.1851E-01 -1.0950E-01
  8.4432E+02  4.2529E+02 -3.6989E+02
OH            5120    0.000000   -0.683000
 -3.1005E+00 -1.1749E+01 -3.8929E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5121    1.008000    0.418000
 -3.7896E+00 -1.2376E+01 -3.7339E+00
 -2.5046E+01  2.6822E+01  5.8547E+00
 -1.4842E+03  3.2151E+03  5.0711E+02
HC            5122    1.008000    0.040000
 -4.7349E+00 -1.0588E+01 -4.0897E+00
  2.2017E+00  5.9483E+00 -1.1169E+01
 -1.5094E+02  2.3194E+03  3.4171E+02
HC            5123    1.008000    0.040000
 -3.1092E+00 -9.8454E+00 -4.4488E+00
  1.5275E+01 -1.2134E+01  1.6176E+00
 -1.5957E+03  9.9313E+02  2.2904E+02
HC            5124    1.008000    0.040000
 -3.5607E+00 -1.0114E+01 -2.7613E+00
 -1.3647E+01  2.5093E+00  9.1126E-01
 -2.2258E+03  3.4353E+02  9.2758E+01
CT            5125   12.011000    0.145000
 -2.0325E+01 -8.0949E+00 -3.7241E+00
  7.2293E-04  2.6228E+00 -4.1914E+00
 -5.5236E+03  4.0256E+03  3.1186E+02
OH            5126    0.000000   -0.683000
  1.9773E+01 -9.0810E+00 -4.3355E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5127    1.008000    0.418000
  2.0266E+01 -9.4811E+00 -5.0354E+00
 -1.0680E+01  6.4539E+00 -1.1630E+01
  9.0803E+02 -5.1122E+01  1.2337E+03
HC            5128    1.008000    0.040000
 -1.9550E+01 -8.7663E+00 -3.3552E+00
 -7.3189E+00  1.3191E+01  3.5053E+01
  3.3794E+03  7.4368E+03  6.1672E+02
HC            5129    1.008000    0.040000
  1.9913E+01 -7.6593E+00 -2.9751E+00
 -6.0102E-01  7.4383E+00 -7.4773E+00
  2.3889E+03 -9.4033E+02  3.0954E+03
HC            5130    1.008000    0.040000
 -2.0288E+01 -7.3309E+00 -4.5005E+00
 -2.7885E-01 -1.0637E+01 -1.7715E+01
  6.2246E+03 -1.0196E+03 -5.1778E+02
CT            5131   12.011000    0.145000
  7.3329E-02  3.9579E+00 -1.7815E+00
  1.8815E+00  4.2688E+00  5.6340E-01
  6.0547E+03  6.1894E+03 -2.4359E+03
OH            5132    0.000000   -0.683000
 -8.1861E-01  4.4730E+00 -2.7445E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5133    1.008000    0.418000
 -1.6172E+00  4.5930E+00 -2.2537E+00
 -6.8758E+00 -6.8085E+00 -9.1604E+00
 -3.6841E+02  1.8916E+03 -1.4271E+03
HC            5134    1.008000    0.040000
  3.9158E-01  4.8612E+00 -1.2611E+00
  1.4851E+00  1.0416E+01 -9.5939E+00
  2.2299E+00 -1.1089E+03  2.3475E+03
HC            5135    1.008000    0.040000
  9.2689E-01  3.7297E+00 -2.4199E+00
  2.4610E+00 -2.7343E+00  3.7490E+00
  1.5540E+03 -2.6470E+03  2.2817E+03
HC            5136    1.008000    0.040000
 -1.6146E-01  3.1797E+00 -1.0554E+00
  6.7469E+00  1.2123E+01  1.0818E+01
 -1.7838E+03 -2.8556E+02 -2.3165E+03
CT            5137   12.011000    0.145000
  1.0519E+01 -1.0839E+00 -1.9154E+01
  9.0707E-01  3.1016E-01  1.0874E+00
 -3.9225E+02  1.4203E+03  1.4975E+03
OH            5138    0.000000   -0.683000
  1.1115E+01 -7.6658E-02 -1.9941E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5139    1.008000    0.418000
  1.0677E+01 -2.1706E-01  2.0134E+01
  1.4666E+01 -3.4012E+00 -7.5521E+00
  1.6606E+03  4.5268E+03 -1.3375E+03
HC            5140    1.008000    0.040000
  1.1010E+01 -1.1687E+00 -1.8185E+01
  1.6557E+00  8.7048E+00  1.5160E+00
 -2.3037E+02 -7.3042E+01  1.2733E+02
HC            5141    1.008000    0.040000
  1.0593E+01 -2.0070E+00 -1.9729E+01
 -3.4590E+00  2.1306E+00 -2.4509E+00
 -1.3691E+03 -8.7155E+02  1.6339E+03
HC            5142    1.008000    0.040000
  9.4812E+00 -7.8369E-01 -1.9012E+01
  8.5865E+00  2.4893E+01  1.0542E+01
  5.4446E+02 -8.8716E+02  6.8612E+02
CT            5143   12.011000    0.145000
 -1.3104E+01 -9.2240E+00 -7.1671E+00
 -2.0356E+00 -2.9169E+00  1.6808E+00
 -2.1993E+03 -2.6725E+03  2.7632E+03
OH            5144    0.000000   -0.683000
 -1.4300E+01 -8.5087E+00 -7.3829E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5145    1.008000    0.418000
 -1.4910E+01 -8.7942E+00 -6.7202E+00
  1.7489E+01  7.0619E+00  2.0307E+01
 -2.4284E+02  3.1766E+02 -1.4511E+03
HC            5146    1.008000    0.040000
 -1.2371E+01 -9.2273E+00 -7.9735E+00
 -8.3361E+00 -8.8073E+00 -4.1581E+00
 -5.9222E+02  2.1506E+03  5.2885E+01
HC            5147    1.008000    0.040000
 -1.3324E+01 -1.0285E+01 -7.0500E+00
  3.2010E+00 -8.7197E+00 -3.1272E+01
  2.3087E+02  8.4983E+02  4.5802E+02
HC            5148    1.008000    0.040000
 -1.2772E+01 -8.7934E+00 -6.2222E+00
 -3.9010E-01 -3.0283E+01  1.4548E+01
  2.0943E+03 -2.5480E+03 -2.5072E+02
CT            5149   12.011000    0.145000
  3.8491E+00  3.8076E+00  4.8155E+00
  6.0510E-02 -6.0876E+00 -6.8379E+00
  6.4103E+02 -4.4767E+03 -6.7443E+03
OH            5150    0.000000   -0.683000
  3.0082E+00  4.6553E+00  4.0656E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5151    1.008000    0.418000
  2.3258E+00  4.7887E+00  4.7056E+00
  7.3545E-01  1.4137E+01 -1.8420E+00
 -2.3471E+03  1.0757E+03 -2.9769E+03
HC            5152    1.008000    0.040000
  3.3896E+00  2.8376E+00  5.0056E+00
  9.7845E+00 -6.0557E+00  2.1579E+01
 -1.0522E+03  1.2356E+03  6.4247E+02
HC            5153    1.008000    0.040000
  4.2530E+00  4.0741E+00  5.7922E+00
 -1.5542E+01  7.4510E-02 -1.7510E+00
 -2.7466E+03  3.5721E+03 -5.7116E+02
HC            5154    1.008000    0.040000
  4.7220E+00  3.5134E+00  4.2329E+00
  2.8090E+00 -5.7199E+00 -2.9447E+00
  4.0660E+02  1.0725E+03 -7.2738E+02
CT            5155   12.011000    0.145000
 -1.1413E+01  1.3261E+00  1.3391E+01
  3.2755E+00 -1.1504E+00 -5.1312E-01
  2.3908E+03 -2.4891E+03 -1.4209E+03
OH            5156    0.000000   -0.683000
 -1.1360E+01  2.0314E+00  1.2171E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5157    1.008000    0.418000
 -1.0978E+01  1.4076E+00  1.1573E+01
 -5.2653E+00 -1.0899E+00 -2.2815E+00
  6.5222E+02  1.0982E+03 -6.4343E+02
HC            5158    1.008000    0.040000
 -1.1807E+01  1.8079E+00  1.4286E+01
  2.6222E+00  5.6449E+00 -4.3918E+00
 -2.3725E+03  2.2198E+03 -2.5479E+03
HC            5159    1.008000    0.040000
 -1.0492E+01  9.2726E-01  1.3817E+01
 -2.9131E+00 -8.7296E+00  6.0896E+00
  2.1940E+03  2.3949E+03 -2.8752E+03
HC            5160    1.008000    0.040000
 -1.1869E+01  3.4333E-01  1.3271E+01
  2.5598E-01 -2.1350E+00  1.6512E+01
 -2.6973E+03  1.4149E+03 -6.8893E+00
CT            5161   12.011000    0.145000
 -5.8958E-01 -8.6246E+00  5.6734E+00
 -1.8892E-01  1.0424E+00 -9.0329E-01
 -2.4025E+03 -3.3935E+03 -4.8347E+03
OH            5162    0.000000   -0.683000
  7.1005E-01 -8.8301E+00  5.1666E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5163    1.008000    0.418000
  7.0149E-01 -9.6666E+00  4.7271E+00
 -1.0041E+01  1.0345E+01 -2.0970E+01
  1.6888E+03  9.8909E+01  1.7738E+03
HC            5164    1.008000    0.040000
 -9.5774E-01 -8.9989E+00  4.7182E+00
 -8.7781E+00 -3.3506E+01  1.4374E+01
 -5.8518E+03  1.5953E+03  2.5881E+03
HC            5165    1.008000    0.040000
 -8.4240E-01 -7.5902E+00  5.9063E+00
  1.3542E+01  6.2890E+00 -8.1449E+00
  8.9730E+02 -1.9441E+02 -5.0665E+02
HC            5166    1.008000    0.040000
 -8.6330E-01 -9.3529E+00  6.4367E+00
  2.7405E+01 -3.5928E+00  5.6511E+00
  7.0745E+02  2.9368E+02 -5.0729E+02
CT            5167   12.011000    0.145000
  7.2183E+00 -1.7806E+01 -1.9003E+01
  6.8514E+00 -6.0897E+00  4.4943E+00
  3.9016E+03  9.9956E+02 -2.6330E+03
OH            5168    0.000000   -0.683000
  7.7246E+00 -1.6696E+01 -1.8295E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5169    1.008000    0.418000
  7.2169E+00 -1.6569E+01 -1.7509E+01
 -1.5637E+01 -1.9829E+01 -6.0127E+00
 -2.7519E+02 -1.7605E+03 -5.4731E+02
HC            5170    1.008000    0.040000
  7.7456E+00 -1.7508E+01 -1.9910E+01
 -8.9600E+00  2.5019E+01  4.1712E+00
 -2.0806E+03 -3.5864E+03 -1.0949E+03
HC            5171    1.008000    0.040000
  6.1727E+00 -1.7859E+01 -1.9307E+01
  1.0286E+01  1.6716E+01 -1.4287E+01
  4.1553E+02  3.4899E+03  1.2387E+03
HC            5172    1.008000    0.040000
  7.5183E+00 -1.8803E+01 -1.8682E+01
  5.1193E+00 -8.4194E+00 -9.9557E-01
  1.2740E+03  9.3164E+02  1.2369E+03
CT            5173   12.011000    0.145000
  3.4312E+00  1.5574E+01 -3.7349E+00
  8.8942E-01 -2.1474E-01 -4.1581E-01
 -2.9845E+03 -6.4017E+01 -2.9204E+03
OH            5174    0.000000   -0.683000
  3.2136E+00  1.4203E+01 -3.4896E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5175    1.008000    0.418000
  2.4992E+00  1.4127E+01 -2.8757E+00
 -1.1739E+01 -5.1324E+00 -1.3720E+01
  2.2320E+03 -7.9128E+01  1.6674E+03
HC            5176    1.008000    0.040000
  4.3786E+00  1.6003E+01 -3.4081E+00
  5.5174E+00 -5.2732E+00 -6.9228E+00
 -4.2439E+02 -6.5764E+02  7.7900E+02
HC            5177    1.008000    0.040000
  2.5728E+00  1.6154E+01 -3.3964E+00
 -9.7031E+00 -1.3609E+01 -3.4325E+00
  3.3519E+02 -4.3509E+02  1.0185E+03
HC            5178    1.008000    0.040000
  3.3484E+00  1.5562E+01 -4.8217E+00
 -7.8562E+00 -6.9692E+00  2.1466E-01
  2.2317E+03  2.7337E+03 -1.7898E+02
CT            5179   12.011000    0.145000
  1.4215E+01  7.9160E+00  3.7658E+00
 -3.1575E+00 -5.3806E+00 -3.9656E+00
  1.2814E+03  5.5221E+02 -6.8533E+03
OH            5180    0.000000   -0.683000
  1.3099E+01  8.7480E+00  3.5390E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5181    1.008000    0.418000
  1.3097E+01  9.3480E+00  4.2691E+00
 -1.5046E+01  2.0635E-01  8.4912E-02
 -4.4477E+03 -2.6620E+02  2.0213E+02
HC            5182    1.008000    0.040000
  1.5119E+01  8.4892E+00  3.9703E+00
 -6.5569E-01 -1.2037E+01  4.2010E+00
 -1.1806E+03 -3.5676E+02  6.2831E+03
HC            5183    1.008000    0.040000
  1.4579E+01  7.5579E+00  2.8027E+00
 -2.5546E+01 -6.9147E+00 -1.2449E+01
 -3.3391E+03 -3.6402E+03 -1.8114E+02
HC            5184    1.008000    0.040000
  1.3856E+01  7.1282E+00  4.4279E+00
  1.5642E-01  1.6638E+00  6.4703E+00
  4.7397E+03 -3.2799E+02  1.3578E+03
CT            5185   12.011000    0.145000
 -1.6758E+01 -6.4836E+00 -1.8460E+00
  4.1814E+00 -1.1772E+00 -4.6613E+00
  6.5410E+01 -2.8047E+03 -1.5708E+03
OH            5186    0.000000   -0.683000
 -1.7733E+01 -6.1302E+00 -2.8012E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5187    1.008000    0.418000
 -1.8507E+01 -5.9898E+00 -2.2770E+00
  6.2840E+00  1.1355E+01  6.6406E+00
  7.0691E+02 -1.3757E+03  9.5410E+02
HC            5188    1.008000    0.040000
 -1.6314E+01 -7.4087E+00 -2.2131E+00
  4.3359E+00  3.4964E+00 -1.6705E+01
  2.1606E+03  1.2265E+03 -8.8574E+02
HC            5189    1.008000    0.040000
 -1.7108E+01 -6.7902E+00 -8.6018E-01
 -6.4267E+00  2.3209E+01 -1.0442E-01
 -2.6093E+03  2.1590E+03 -7.4742E+02
HC            5190    1.008000    0.040000
 -1.6029E+01 -5.6897E+00 -1.6825E+00
 -1.3027E+01  1.6217E+01 -8.6596E+00
 -5.9710E+02 -2.6739E+02 -7.8494E+02
CT            5191   12.011000    0.145000
 -1.7317E+01 -1.6353E+01  5.6422E+00
  2.4991E+00 -5.9686E-01 -1.9183E+00
  2.1046E+03 -7.2315E+02 -1.9631E+03
OH            5192    0.000000   -0.683000
 -1.7776E+01 -1.5368E+01  4.7431E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5193    1.008000    0.418000
 -1.7544E+01 -1.5588E+01  3.8538E+00
 -1.2542E+01  8.0027E+00 -5.5330E+00
  2.3577E+03 -1.8514E+02  1.1291E+03
HC            5194    1.008000    0.040000
 -1.6285E+01 -1.6683E+01  5.5254E+00
  1.3305E+01  3.0437E+01 -3.6202E+00
  4.6523E+02  3.6728E+03 -2.7214E+03
HC            5195    1.008000    0.040000
 -1.7824E+01 -1.7301E+01  5.4621E+00
 -6.3673E-01  5.0914E+00 -2.6666E+01
 -2.5085E+03  1.8599E+03  1.6973E+03
HC            5196    1.008000    0.040000
 -1.7335E+01 -1.5996E+01  6.6720E+00
 -2.5314E+01  5.0568E+00 -3.5704E+00
 -2.6466E+03 -2.7657E+02 -6.4198E+02
CT            5197   12.011000    0.145000
  1.0939E+01 -1.3170E+01  6.4421E+00
  1.8614E+00 -7.2377E+00 -3.9793E-01
 -3.3282E+02  6.8521E+03 -1.7202E+01
OH            5198    0.000000   -0.683000
  1.1135E+01 -1.3036E+01  5.0523E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5199    1.008000    0.418000
  1.2056E+01 -1.3067E+01  4.8440E+00
 -1.5465E+00  4.6390E+00 -7.9455E+00
  1.0509E+02  9.3696E+02  8.0399E+02
HC            5200    1.008000    0.040000
  1.1099E+01 -1.2175E+01  6.8551E+00
  1.2717E+01 -3.6298E+00 -1.2636E+01
  9.9495E+02  6.2715E+02 -9.9237E+02
HC            5201    1.008000    0.040000
  1.1648E+01 -1.3695E+01  7.0827E+00
  1.1876E+01  1.1353E+01  4.4743E+00
 -1.5766E+03 -2.8897E+03 -2.5021E+03
HC            5202    1.008000    0.040000
  9.8793E+00 -1.3261E+01  6.6817E+00
  6.2218E+00 -4.6499E-01  2.4235E+01
  1.5135E+03 -4.6122E+03  2.1687E+03
CT            5203   12.011000    0.145000
 -6.9044E+00 -1.2922E+01  1.2785E+01
 -6.3344E+00  2.7045E+00 -7.2250E-01
  6.3832E+02  7.1235E+01 -5.9705E+03
OH            5204    0.000000   -0.683000
 -7.4313E+00 -1.4219E+01  1.2616E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5205    1.008000    0.418000
 -6.7813E+00 -1.4873E+01  1.2410E+01
  2.1639E+01  1.7372E+01  8.9723E+00
  3.7125E+03  4.1263E+03  9.7782E+01
HC            5206    1.008000    0.040000
 -6.2721E+00 -1.2754E+01  1.3657E+01
  1.8625E+00  2.1391E+01 -9.6905E+00
 -7.4060E+02 -3.9288E+02 -4.8896E+02
HC            5207    1.008000    0.040000
 -6.3018E+00 -1.2733E+01  1.1897E+01
  1.9946E+01  1.2001E+01  1.7815E+01
  1.8666E+03  5.0546E+02  1.7053E+03
HC            5208    1.008000    0.040000
 -7.6573E+00 -1.2134E+01  1.2769E+01
  2.0185E+00  1.1587E+01  1.6431E+01
 -2.5658E+02 -6.6921E+02  1.7965E+03
CT            5209   12.011000    0.145000
  1.0869E+00  1.4741E+01 -6.6691E+00
  3.5355E+00  4.5408E+00  1.9145E+00
  4.0267E+03 -4.2083E+03 -1.6902E+03
OH            5210    0.000000   -0.683000
  1.1631E+00  1.5230E+01 -7.9893E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5211    1.008000    0.418000
  2.3921E-01  1.5208E+01 -8.1866E+00
  5.0886E-01 -3.0897E+01 -3.9174E+00
  1.7751E+03  7.6908E+02 -3.0900E+03
HC            5212    1.008000    0.040000
  1.3157E+00  1.5318E+01 -5.7735E+00
 -1.1933E+01  1.4369E+01 -9.2748E-02
 -2.9536E+03  4.3871E+03 -2.3702E+03
HC            5213    1.008000    0.040000
  1.8136E+00  1.3934E+01 -6.5758E+00
 -5.0922E+00 -6.4748E+00 -1.9267E+01
 -9.5451E+02 -1.1813E+03 -1.8730E+03
HC            5214    1.008000    0.040000
  1.0764E-01  1.4262E+01 -6.6512E+00
  1.1186E+01 -1.2858E+01 -1.2625E+01
  1.1316E+03 -3.8856E+02  2.4294E+03
CT            5215   12.011000    0.145000
 -1.6765E+00  4.5576E+00 -1.8042E+01
  4.3464E+00  7.2534E+00 -5.4851E+00
  3.3763E+02  3.6227E+03 -7.3276E+03
OH            5216    0.000000   -0.683000
 -8.1204E-01  3.5979E+00 -1.8608E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5217    1.008000    0.418000
 -5.7060E-01  3.3053E+00 -1.7742E+01
 -3.7786E+01  1.0043E+01  1.5999E+01
  3.8238E+03 -7.0199E+01 -4.2260E+03
HC            5218    1.008000    0.040000
 -1.0713E+00  5.3672E+00 -1.7634E+01
 -6.1367E-03  4.9784E+00  5.8670E+00
 -5.7092E+02 -8.0336E+02  2.4317E+03
HC            5219    1.008000    0.040000
 -2.3747E+00  4.1610E+00 -1.7305E+01
  1.1705E+01 -6.6948E+00 -5.6816E+00
  1.2334E+03 -3.9050E+02 -9.2949E+01
HC            5220    1.008000    0.040000
 -2.2707E+00  5.0364E+00 -1.8821E+01
 -1.2642E+01 -1.3579E+01 -6.2615E+00
 -8.0796E+02 -1.3141E+03 -2.7170E+02
CT            5221   12.011000    0.145000
  1.5883E+01  3.9653E+00 -3.6950E+00
  1.7186E+00  3.7795E+00  2.0007E+00
  1.2158E+02 -1.7572E+03 -1.1132E+03
OH            5222    0.000000   -0.683000
  1.5938E+01  4.6005E+00 -4.9526E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5223    1.008000    0.418000
  1.6137E+01  3.8184E+00 -5.4441E+00
  2.1331E+01 -1.6516E+00  1.0130E+01
  2.5169E+02  2.6068E+03 -2.6332E+03
HC            5224    1.008000    0.040000
  1.5384E+01  3.0105E+00 -3.8619E+00
  2.6515E+01 -1.3537E+01  1.9645E+01
 -2.0097E+03  1.8687E+03  2.8137E+03
HC            5225    1.008000    0.040000
  1.5418E+01  4.6394E+00 -2.9756E+00
 -1.6693E+01  3.8881E-01 -6.1446E+00
  1.4596E+02 -1.9415E+03  1.0472E+03
HC            5226    1.008000    0.040000
  1.6866E+01  3.5634E+00 -3.4489E+00
 -2.7941E+00 -7.4842E+00  2.2262E+00
  2.8085E+02  2.8198E+03  2.3935E+03
CT            5227   12.011000    0.145000
  2.6574E-02 -1.3323E+01  1.6515E+01
  4.3441E+00 -4.5322E+00 -9.6446E+00
 -1.0617E+03 -2.0032E+03 -2.1517E+03
OH            5228    0.000000   -0.683000
 -9.3733E-02 -1.4610E+01  1.7080E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5229    1.008000    0.418000
  3.5752E-01 -1.5222E+01  1.6518E+01
  7.9556E+00 -6.8474E+00  1.3350E+01
 -1.5050E+03  5.8855E+02 -1.1021E+03
HC            5230    1.008000    0.040000
 -7.3534E-01 -1.3413E+01  1.5741E+01
 -4.1742E+00 -7.8180E+00 -1.0844E+00
  4.1471E+02  3.2012E+03 -7.2849E+02
HC            5231    1.008000    0.040000
  9.9986E-01 -1.3090E+01  1.6084E+01
  3.4267E+00  1.1700E+01 -3.6235E+00
 -6.3997E+01 -6.4984E+01  5.7881E+02
HC            5232    1.008000    0.040000
 -2.4072E-01 -1.2563E+01  1.7250E+01
 -1.4377E+00 -2.5444E-01 -1.6051E+01
 -2.5927E+02  3.7776E+02 -8.9416E+02
CT            5233   12.011000    0.145000
  3.3597E+00 -1.9985E+01 -1.9725E+01
 -3.6815E+00 -7.4730E-01  3.3488E+00
 -6.2176E+03  1.8876E+03 -2.3000E+03
OH            5234    0.000000   -0.683000
  3.1311E+00  1.9635E+01 -2.0269E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5235    1.008000    0.418000
  4.0044E+00  1.9532E+01  2.0284E+01
 -1.5453E+00 -3.3655E+01  2.7274E+00
 -3.2977E+03 -4.0789E+03 -4.9734E+03
HC            5236    1.008000    0.040000
  3.2324E+00 -1.9209E+01  2.0421E+01
 -6.1683E+00  1.6119E+01  2.0333E+01
 -1.6313E+03 -6.8310E+02 -4.5224E+01
HC            5237    1.008000    0.040000
  4.3913E+00 -1.9738E+01 -1.9473E+01
 -5.3410E-01 -1.7902E+00 -7.9982E+00
 -8.3089E+02 -2.6994E+03  2.7012E+03
HC            5238    1.008000    0.040000
  2.6388E+00 -1.9703E+01 -1.8957E+01
  3.7593E+00  2.5881E+01  1.5543E+00
  1.2494E+03  4.0518E+02  4.5951E+02
CT            5239   12.011000    0.145000
  1.0684E+01 -5.5780E+00 -1.1473E+01
 -4.0597E+00 -4.8814E-01 -3.1653E+00
  3.4084E+03  4.1596E+02 -1.2559E+03
OH            5240    0.000000   -0.683000
  1.0588E+01 -4.1738E+00 -1.1558E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5241    1.008000    0.418000
  1.0175E+01 -4.0516E+00 -1.0717E+01
 -1.1894E+01 -2.3697E+01 -1.5619E+00
 -7.0670E+02  2.8177E+03 -1.8936E+03
HC            5242    1.008000    0.040000
  1.0794E+01 -5.9797E+00 -1.2480E+01
  9.0840E+00  4.8619E+00 -4.0630E+00
 -1.1161E+03 -1.1642E+03  5.3029E+02
HC            5243    1.008000    0.040000
  9.8871E+00 -6.0096E+00 -1.0867E+01
  1.7864E+00 -4.3045E+00  1.9256E+00
 -4.7080E+02 -8.7934E+02 -1.9602E+03
HC            5244    1.008000    0.040000
  1.1625E+01 -5.7754E+00 -1.0960E+01
  2.8234E+00  1.2669E+01 -1.0207E+01
 -2.7943E+02 -5.7168E+02  6.3608E+01
CT            5245   12.011000    0.145000
 -4.0027E+00 -1.9395E+01 -1.9798E+01
 -2.0266E+00  5.0001E+00 -1.6309E-01
 -3.3524E+03  1.9641E+03 -3.6564E+03
OH            5246    0.000000   -0.683000
 -5.1318E+00 -1.9835E+01 -1.9077E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5247    1.008000    0.418000
 -5.1429E+00 -1.9297E+01 -1.8301E+01
 -8.6932E+00  1.0173E+01 -6.8831E+00
  1.6109E+03  7.2187E+02 -7.8699E+02
HC            5248    1.008000    0.040000
 -3.3843E+00 -1.8562E+01 -1.9465E+01
  1.0050E+01 -8.0328E+00  1.1388E+01
 -1.6204E+03 -8.6999E+02  3.8364E+03
HC            5249    1.008000    0.040000
 -4.4783E+00 -1.8965E+01  2.0221E+01
 -1.2724E+01 -7.9655E+00 -1.0403E+00
  7.0264E+02 -1.0274E+03 -1.1144E+03
HC            5250    1.008000    0.040000
 -3.3156E+00 -2.0186E+01 -2.0098E+01
 -1.5123E+01 -1.2389E+01  1.3483E+01
 -2.3634E+03 -1.6778E+03  1.0291E+03
CT            5251   12.011000    0.145000
  7.7199E+00 -8.4707E+00 -3.4840E+00
  8.0907E+00 -1.9338E+00  2.8851E+00
  3.9626E+03  1.9032E+03  1.8329E+03
OH            5252    0.000000   -0.683000
  7.2598E+00 -8.3726E+00 -2.1548E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5253    1.008000    0.418000
  7.8686E+00 -7.8684E+00 -1.6370E+00
 -5.2882E+00  1.8653E+01 -1.0982E+01
  2.4880E+03 -2.3379E+02 -3.5692E+03
HC            5254    1.008000    0.040000
  8.3836E+00 -9.3262E+00 -3.6094E+00
 -2.2757E+00 -9.5843E+00 -1.2504E+00
 -2.3178E+03 -1.7449E+03 -6.8056E+02
HC            5255    1.008000    0.040000
  8.3856E+00 -7.6542E+00 -3.7636E+00
 -1.1927E+00  6.0460E+00  3.5487E+00
 -1.0908E+03  1.8139E+03  1.7969E+03
HC            5256    1.008000    0.040000
  6.9261E+00 -8.3977E+00 -4.2274E+00
  5.4122E+00 -5.5870E+00  5.3501E+00
 -5.4601E+02 -2.7050E+03  7.9401E+02
CT            5257   12.011000    0.145000
  2.1157E+00 -1.9505E+01 -1.0295E+01
  2.9667E+00  1.4017E+00 -1.0220E+00
 -2.2180E+03  1.6075E+02  7.0977E+03
OH            5258    0.000000   -0.683000
  1.4597E+00 -1.8274E+01 -1.0499E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5259    1.008000    0.418000
  9.5019E-01 -1.7877E+01 -9.8091E+00
  4.2027E+00  6.9323E+00 -7.8882E-01
  5.8070E+02 -4.2198E+03  2.5232E+03
HC            5260    1.008000    0.040000
  1.4201E+00 -2.0313E+01 -1.0067E+01
  3.6652E+00 -7.4566E+00 -2.7023E+01
  1.3918E+02 -7.5519E+02 -2.8820E+03
HC            5261    1.008000    0.040000
  2.7154E+00 -1.9375E+01 -9.3941E+00
  1.2760E+01  1.0975E+01 -8.6474E+00
  1.3637E+03  2.1834E+02 -6.3149E+02
HC            5262    1.008000    0.040000
  2.7848E+00 -1.9706E+01 -1.1132E+01
  5.2978E-01 -4.2227E-01 -2.5475E+00
 -1.7503E+03 -3.6413E+03  2.1969E+02
CT            5263   12.011000    0.145000
 -2.0046E+01 -1.1940E+01  1.2753E+01
 -2.4605E+00 -6.6783E-01 -1.5497E-01
  1.8407E+03  8.1492E+02 -6.4699E+03
OH            5264    0.000000   -0.683000
 -1.9670E+01 -1.3296E+01  1.2673E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5265    1.008000    0.418000
 -2.0141E+01 -1.3662E+01  1.3406E+01
  1.1659E+01 -2.4466E+01 -3.6880E+00
  2.8010E+02 -2.9307E+03 -1.8948E+03
HC            5266    1.008000    0.040000
 -1.9920E+01 -1.1644E+01  1.3794E+01
 -4.0196E-01 -1.2780E+01  3.1838E+00
 -1.4150E+02  1.9024E+03 -1.2886E+03
HC            5267    1.008000    0.040000
  1.9829E+01 -1.1755E+01  1.2432E+01
 -9.4899E+00 -2.0309E+00  2.0091E+01
 -1.9477E+02  6.2019E+01  1.4992E+03
HC            5268    1.008000    0.040000
 -1.9337E+01 -1.1510E+01  1.2044E+01
  4.9715E+00  3.5312E+00  9.5886E+00
  2.4813E+01  3.5484E+03  1.5297E+03
CT            5269   12.011000    0.145000
  1.5918E+00 -4.2767E+00  1.0816E+01
 -5.7227E+00 -5.6841E-01 -1.5841E+00
 -4.2952E+02 -1.2758E+03  1.6203E+03
OH            5270    0.000000   -0.683000
  1.2386E+00 -3.2916E+00  1.1761E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5271    1.008000    0.418000
  1.6693E+00 -3.4417E+00  1.2589E+01
  7.5333E+00  8.6754E-01 -3.6761E+00
 -3.0391E+03 -2.0877E+03  9.4567E+02
HC            5272    1.008000    0.040000
  2.6759E+00 -4.3895E+00  1.0808E+01
 -7.0456E+00 -1.5438E+01  4.6028E-01
 -2.9279E+02 -3.6556E+02 -1.7200E+03
HC            5273    1.008000    0.040000
  1.1542E+00 -3.9588E+00  9.8699E+00
 -1.1775E+01 -3.8346E+00  6.4237E-02
  8.7161E+02 -1.7973E+03 -7.8265E+02
HC            5274    1.008000    0.040000
  1.1057E+00 -5.1884E+00  1.1164E+01
 -2.5442E+01  5.3066E+00 -1.2215E+01
  5.5425E+02 -6.0302E+02 -1.8465E+03
CT            5275   12.011000    0.145000
  1.3672E+01 -3.1524E+00 -1.0703E+01
 -3.4799E+00  8.5091E-01 -3.0102E+00
  2.9206E+02 -1.3880E+03  1.9198E+03
OH            5276    0.000000   -0.683000
  1.3120E+01 -2.2257E+00 -9.7955E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5277    1.008000    0.418000
  1.3135E+01 -1.3392E+00 -1.0122E+01
 -1.4549E+01  2.7564E+00  5.9950E+00
  2.2807E+03 -1.6651E+03 -2.8516E+03
HC            5278    1.008000    0.040000
  1.4761E+01 -3.0982E+00 -1.0714E+01
 -3.6405E+00  5.6684E+00  1.3164E+00
 -9.2394E+01  1.6304E+03 -4.6417E+02
HC            5279    1.008000    0.040000
  1.3288E+01 -3.1511E+00 -1.1724E+01
 -7.4123E+00 -2.4574E-01 -1.5500E+00
 -6.2966E+02  2.2141E+03  4.3857E+02
HC            5280    1.008000    0.040000
  1.3424E+01 -4.1565E+00 -1.0359E+01
 -2.9937E+01  7.5293E+00 -3.9074E-01
 -5.5150E+02  8.6414E+02  6.6665E+02
CT            5281   12.011000    0.145000
  5.0267E+00  8.9847E+00 -1.7043E+01
  4.0571E+00 -3.0897E+00 -1.4711E+00
  5.0317E+03 -1.8736E+03  2.4145E+03
OH            5282    0.000000   -0.683000
  4.3838E+00  7.8727E+00 -1.6461E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5283    1.008000    0.418000
  4.9523E+00  7.1317E+00 -1.6317E+01
 -6.0138E+00 -3.9234E+00  4.0226E+00
  3.0379E+03  2.4953E+03 -7.0101E+02
HC            5284    1.008000    0.040000
  5.7857E+00  9.3096E+00 -1.6331E+01
 -1.6202E+01  1.3953E+01  1.3661E+01
 -2.1928E+03  2.1018E+03  1.2069E+03
HC            5285    1.008000    0.040000
  4.3423E+00  9.8192E+00 -1.7196E+01
  1.8947E+01  1.2399E+01  1.2182E+01
  1.6560E+03  3.8499E+01 -3.2722E+02
HC            5286    1.008000    0.040000
  5.6297E+00  8.8310E+00 -1.7938E+01
 -1.5577E+01  2.2480E+01 -2.0666E+01
 -3.8361E+03 -2.4018E+03 -8.4941E+02
CT            5287   12.011000    0.145000
 -1.4188E+01 -8.6990E+00  3.4620E+00
  1.6396E+00  1.6486E-01 -1.5455E+00
  3.8282E+01  4.7097E+03  2.7318E+03
OH            5288    0.000000   -0.683000
 -1.5108E+01 -8.1447E+00  2.5484E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5289    1.008000    0.418000
 -1.5985E+01 -8.4099E+00  2.7823E+00
 -3.0878E-01  6.3742E+00  6.4257E+00
  7.8602E+02 -3.5579E+02  2.3514E+03
HC            5290    1.008000    0.040000
 -1.4406E+01 -9.7616E+00  3.5693E+00
 -4.1975E+00 -3.3507E-01 -1.6048E+01
  9.5798E+02  6.5906E+02  1.5204E+03
HC            5291    1.008000    0.040000
 -1.4340E+01 -8.1040E+00  4.3627E+00
 -3.4705E+00 -1.4023E+01  7.3086E+00
 -2.3372E+03 -3.1078E+03  2.1091E+03
HC            5292    1.008000    0.040000
 -1.3127E+01 -8.5144E+00  3.2967E+00
  1.6414E+00 -2.2258E+01 -3.7395E+01
 -1.2174E+03 -1.9646E+03 -3.9705E+03
CT            5293   12.011000    0.145000
 -1.3753E+01 -1.6133E+01 -8.2268E+00
 -1.3418E-01 -1.9559E+00  2.9082E+00
  6.0438E+02  5.2083E+03 -7.3900E+03
OH            5294    0.000000   -0.683000
 -1.3836E+01 -1.4962E+01 -7.4468E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5295    1.008000    0.418000
 -1.3352E+01 -1.4307E+01 -7.9273E+00
 -7.1189E+00 -1.0768E+00 -8.9044E+00
  1.3489E+03 -1.0687E+03  2.8006E+02
HC            5296    1.008000    0.040000
 -1.3635E+01 -1.7113E+01 -7.7640E+00
 -9.5266E+00  1.1056E+00  1.2183E+01
 -7.9290E+02  2.1538E+03  3.1694E+03
HC            5297    1.008000    0.040000
 -1.2957E+01 -1.5940E+01 -8.9461E+00
  1.3067E+01 -2.1454E+01  1.1411E+01
  2.3381E+03 -2.8780E+03  1.3346E+03
HC            5298    1.008000    0.040000
 -1.4589E+01 -1.6079E+01 -8.9246E+00
  8.5517E-01 -6.5266E+00  1.3342E+00
 -1.7663E+03 -3.0086E+03  1.3151E+03
CT            5299   12.011000    0.145000
 -1.8539E+01  1.9262E+01  8.2148E+00
 -3.6943E+00 -1.7134E+00 -3.1510E+00
  5.2966E+02  2.1007E+03  1.9335E+03
OH            5300    0.000000   -0.683000
 -1.9145E+01  1.8593E+01  9.2977E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5301    1.008000    0.418000
 -2.0035E+01  1.8479E+01  9.0012E+00
 -5.0120E+00 -1.2338E+01  1.8077E+01
  3.8896E+02  1.0859E+03  2.7733E+02
HC            5302    1.008000    0.040000
 -1.8875E+01  2.0297E+01  8.1522E+00
 -4.7388E-01 -7.5786E-01 -4.9042E+00
  5.2246E+02  3.6439E+02  9.3643E+02
HC            5303    1.008000    0.040000
 -1.8849E+01  1.8808E+01  7.2736E+00
 -3.8746E+00 -2.0435E+01  5.4854E+00
  3.4219E+03 -1.6634E+03  2.7460E+02
HC            5304    1.008000    0.040000
 -1.7473E+01  1.9244E+01  8.4420E+00
 -5.4738E+00  5.4815E+00  6.4294E+00
  3.8357E+02  4.5759E+02 -2.5554E+03
CT            5305   12.011000    0.145000
 -1.7713E+01  1.8074E+01 -1.4545E+01
 -2.5134E-01 -1.7356E+00 -2.7211E+00
 -7.3988E+02 -1.1753E+04 -3.3632E+02
OH            5306    0.000000   -0.683000
 -1.6308E+01  1.7982E+01 -1.4612E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5307    1.008000    0.418000
 -1.5996E+01  1.7111E+01 -1.4802E+01
  1.1335E+00  4.9915E+00 -2.4249E+01
 -2.7192E+03 -5.4814E+01 -1.6008E+03
HC            5308    1.008000    0.040000
 -1.8092E+01  1.7347E+01 -1.5262E+01
  1.8508E+01 -1.3808E+01 -1.0943E+00
 -4.7872E+02  2.9156E+03 -2.6675E+03
HC            5309    1.008000    0.040000
 -1.8247E+01  1.9025E+01 -1.4556E+01
 -9.1526E+00 -6.5119E+00  3.3225E+00
  1.6859E+03 -2.1110E+02  7.9639E+02
HC            5310    1.008000    0.040000
 -1.7955E+01  1.7455E+01 -1.3681E+01
 -1.6236E+01  8.9260E+00  8.8192E-01
 -2.1226E+03  3.6568E+03  2.6260E+03
CT            5311   12.011000    0.145000
 -1.2435E+01 -1.4310E+01 -4.4338E+00
 -1.3068E+00  5.4539E+00  2.3912E-01
 -6.4665E+02  1.1925E+03  2.6373E+02
OH            5312    0.000000   -0.683000
 -1.2603E+01 -1.4417E+01 -3.0379E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5313    1.008000    0.418000
 -1.1726E+01 -1.4337E+01 -2.6954E+00
  1.2999E+01 -9.0992E+00 -2.8104E+01
  7.4774E+02 -1.0829E+03 -3.4443E+03
HC            5314    1.008000    0.040000
 -1.3082E+01 -1.3525E+01 -4.8245E+00
 -1.9761E+01 -1.5802E+01 -1.4486E+01
 -1.8762E+03 -2.5187E+03 -5.6871E+02
HC            5315    1.008000    0.040000
 -1.2637E+01 -1.5300E+01 -4.8428E+00
  2.8765E+00  2.1809E+00  5.9466E+00
 -1.8916E+03  1.1537E+03 -1.2607E+03
HC            5316    1.008000    0.040000
 -1.1470E+01 -1.4034E+01 -4.8589E+00
  5.3010E+00  7.1717E+00  1.5681E+01
  1.6951E+03 -3.7245E+02  3.7945E+03
CT            5317   12.011000    0.145000
  1.7895E+01  5.5085E-01 -5.1184E+00
  3.7605E-01 -2.7071E+00  2.1993E+00
 -7.5318E+03 -3.6530E+03  3.9221E+03
OH            5318    0.000000   -0.683000
  1.8009E+01  1.4493E+00 -4.0377E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5319    1.008000    0.418000
  1.7389E+01  1.1192E+00 -3.4055E+00
 -1.2163E+01 -1.6215E+01 -1.9164E+01
 -5.4096E+02  1.4811E+03 -9.9753E+02
HC            5320    1.008000    0.040000
  1.6807E+01  5.6884E-01 -5.1692E+00
  7.8466E-02  1.5651E+01  7.8174E+00
 -2.4530E+00  1.1134E+03 -4.3578E+03
HC            5321    1.008000    0.040000
  1.8018E+01 -4.8191E-01 -4.7921E+00
  8.3921E+00  3.2478E+00  1.9229E+01
  3.0318E+03  3.8333E+02  2.4127E+02
HC            5322    1.008000    0.040000
  1.8328E+01  7.1608E-01 -6.1051E+00
 -1.0283E+01 -1.8723E+00 -2.4740E+00
  3.7893E+02  2.2359E+03  1.4104E+03
CT            5323   12.011000    0.145000
 -1.7951E+01 -1.2242E+00  1.1459E+01
 -1.1415E+00  3.2665E+00 -7.0010E-01
 -2.5856E+03 -6.3759E+03  2.0801E+03
OH            5324    0.000000   -0.683000
 -1.7794E+01 -8.8183E-01  1.2818E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5325    1.008000    0.418000
 -1.8438E+01 -2.2599E-01  1.3038E+01
  1.3663E+01  7.0006E+00  2.2468E+01
  1.5074E+03  5.9076E+01  1.9758E+03
HC            5326    1.008000    0.040000
 -1.8438E+01 -2.1934E+00  1.1350E+01
  3.1508E+01 -1.6103E+01  1.1193E+01
  3.3094E+02  7.3792E+02  9.8254E+02
HC            5327    1.008000    0.040000
 -1.6899E+01 -1.3780E+00  1.1220E+01
  4.7418E+00  3.0751E+01  4.1071E+00
 -1.3882E+03  3.7563E+03 -5.3072E+03
HC            5328    1.008000    0.040000
 -1.8620E+01 -4.3810E-01  1.1108E+01
  1.3939E+00  5.0167E+00 -1.6407E+00
  4.4740E+03  1.2670E+03 -4.6485E+03
CT            5329   12.011000    0.145000
 -5.6890E+00  9.1002E+00  6.5561E+00
  1.4035E+00  1.1907E+00  2.2874E+00
 -4.9026E+03 -2.5744E+03  7.1174E+02
OH            5330    0.000000   -0.683000
 -6.3833E+00  1.0310E+01  6.3488E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5331    1.008000    0.418000
 -5.8969E+00  1.0926E+01  6.8751E+00
 -3.5390E+00 -6.7477E+00  1.1531E+01
  3.6490E+02  9.1358E+02 -2.0249E+03
HC            5332    1.008000    0.040000
 -5.7834E+00  8.8048E+00  7.6011E+00
 -1.9834E+01 -7.9035E+00 -1.6752E+00
  1.2622E+03 -1.4904E+02 -4.3673E+02
HC            5333    1.008000    0.040000
 -4.6684E+00  9.1497E+00  6.1769E+00
  3.2365E+00  1.1437E+01  8.1806E+00
 -2.3677E+02 -6.3315E+02  8.5238E+02
HC            5334    1.008000    0.040000
 -6.3641E+00  8.4573E+00  5.9914E+00
  1.2131E+01 -6.7570E+00 -1.8336E+00
  2.8274E+03 -3.2215E+03 -4.0149E+02
CT            5335   12.011000    0.145000
 -1.2618E+01 -1.7662E+00 -2.4726E+00
 -9.0278E-01 -1.3154E+00  1.3601E+00
  3.1456E+02 -6.6874E+03  4.6593E+03
OH            5336    0.000000   -0.683000
 -1.3107E+01 -2.5382E+00 -3.5467E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5337    1.008000    0.418000
 -1.3720E+01 -1.9913E+00 -4.0136E+00
 -8.4461E+00 -1.3130E+01 -4.8622E+00
 -2.4318E+03 -1.9831E+03  1.1428E+03
HC            5338    1.008000    0.040000
 -1.1706E+01 -2.2281E+00 -2.0951E+00
  1.4149E+01  1.0254E+01 -1.8825E+01
  1.7934E+03  2.0369E+03 -1.7651E+03
HC            5339    1.008000    0.040000
 -1.3333E+01 -2.0566E+00 -1.7025E+00
 -1.5660E+01 -6.2159E+00 -1.3579E+01
 -1.4779E+03  5.1549E+03  4.1934E+02
HC            5340    1.008000    0.040000
 -1.2497E+01 -7.0551E-01 -2.6922E+00
 -1.5239E+01  9.2629E-01  3.2656E+00
 -8.3942E+02 -4.7901E+02  1.0493E+03
CT            5341   12.011000    0.145000
 -1.4003E+00 -1.2995E+01 -1.5346E+01
  7.3183E+00  2.0182E+00  1.1869E+00
  1.5000E+03 -9.7663E+02  3.5742E+03
OH            5342    0.000000   -0.683000
 -9.9267E-01 -1.4300E+01 -1.5690E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5343    1.008000    0.418000
 -6.0960E-01 -1.4724E+01 -1.4937E+01
  1.1024E+01  1.8304E+01  5.3497E+00
 -3.9531E+03  7.4221E+02  1.6180E+03
HC            5344    1.008000    0.040000
 -1.3608E+00 -1.2344E+01 -1.6220E+01
 -2.3352E+01 -1.2060E+01 -1.2188E+01
 -6.4831E+02  4.3050E+02  2.2184E+03
HC            5345    1.008000    0.040000
 -7.3855E-01 -1.2744E+01 -1.4518E+01
  2.4250E+00  6.6275E+00  3.7595E+00
 -6.4851E+01  2.5606E+03 -3.7409E+02
HC            5346    1.008000    0.040000
 -2.4191E+00 -1.2995E+01 -1.4959E+01
  8.9839E+00  1.7348E+00  5.6255E+00
 -1.3149E+02  1.3497E+02 -4.8000E+02
CT            5347   12.011000    0.145000
 -1.3980E+01 -1.1410E+01  6.9326E-01
 -8.8820E+00  2.2307E+00  2.1032E+00
 -3.4073E+02  1.5117E+03  1.4868E+03
OH            5348    0.000000   -0.683000
 -1.3784E+01 -1.0134E+01  1.2814E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5349    1.008000    0.418000
 -1.4175E+01 -9.5164E+00  7.2697E-01
  2.8055E+01  1.6449E+01  3.1855E+00
  1.2874E+03  6.9114E+02 -1.3928E+03
HC            5350    1.008000    0.040000
 -1.3238E+01 -1.2127E+01  3.4220E-01
  2.3696E+00  4.8438E+00  1.9352E+01
 -1.9721E+03 -1.0639E+02 -1.6337E+03
HC            5351    1.008000    0.040000
 -1.5001E+01 -1.1748E+01  5.1420E-01
  1.5404E+00 -1.5095E+01 -3.4422E+01
  1.9255E+03 -8.7777E+02 -1.0433E+03
HC            5352    1.008000    0.040000
 -1.3858E+01 -1.1438E+01  1.7760E+00
 -3.6997E+01  6.9932E+00  6.1634E+00
  1.9599E+02  1.7379E+03 -6.4439E+02
CT            5353   12.011000    0.145000
  2.6242E+00 -1.0248E+01 -1.8972E+01
  1.8390E+00  1.5853E+00 -3.8744E+00
 -1.0326E+03 -1.2104E+03 -9.5747E+03
OH            5354    0.000000   -0.683000
  3.5603E+00 -1.1302E+01 -1.8954E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5355    1.008000    0.418000
  3.7576E+00 -1.1654E+01 -1.9809E+01
 -1.4627E+01 -1.7641E+01  3.2482E+00
  1.2479E+03  1.8275E+03  4.1014E+02
HC            5356    1.008000    0.040000
  3.0635E+00 -9.4348E+00 -1.9550E+01
  2.2016E+01 -1.8375E+00  5.7619E+00
  6.8025E+02  1.7396E+03  3.0091E+03
HC            5357    1.008000    0.040000
  2.1771E+00 -9.9617E+00 -1.8020E+01
  1.2088E+01 -1.9678E+01  8.0696E+00
  1.3870E+03 -9.0966E+02 -4.6258E+02
HC            5358    1.008000    0.040000
  1.8663E+00 -1.0635E+01 -1.9654E+01
 -9.9753E+00 -1.6690E+01  1.8221E+01
 -2.3360E+03  1.7081E+02  2.4619E+03
CT            5359   12.011000    0.145000
 -1.1151E+01 -1.6697E+01 -1.1904E+01
 -8.7215E-01 -4.0388E+00 -3.7365E+00
  3.2506E+02 -1.7789E+03  3.5052E+03
OH            5360    0.000000   -0.683000
 -1.2534E+01 -1.6641E+01 -1.1634E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5361    1.008000    0.418000
 -1.2877E+01 -1.7405E+01 -1.1195E+01
  1.3008E+01  7.5424E+00  2.5278E+01
  3.7739E+03 -3.5995E+02  8.9714E+02
HC            5362    1.008000    0.040000
 -1.0828E+01 -1.6807E+01 -1.0869E+01
 -1.9876E+01 -1.2659E+01  1.7339E+00
  2.9171E+03 -2.9819E+03 -1.5569E+03
HC            5363    1.008000    0.040000
 -1.0650E+01 -1.5820E+01 -1.2314E+01
  6.8965E+00 -1.1189E+01 -9.8940E+00
 -1.8164E+03  2.8149E+01 -1.1228E+03
HC            5364    1.008000    0.040000
 -1.1032E+01 -1.7560E+01 -1.2559E+01
  1.7600E+01 -9.2070E+00  5.7507E+00
  3.7768E+03 -2.6591E+02  1.3942E+03
CT            5365   12.011000    0.145000
 -1.2853E+01 -1.8253E+00 -9.1213E+00
 -1.0234E-02  6.1560E-01  4.1565E-01
 -2.9314E+03 -3.4133E+03  1.1347E+03
OH            5366    0.000000   -0.683000
 -1.3833E+01 -1.2701E+00 -9.9692E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5367    1.008000    0.418000
 -1.4224E+01 -5.6466E-01 -9.4770E+00
 -1.3617E+01  2.0741E+01 -3.6585E+01
  5.1292E+02  1.2536E+02 -2.9638E+03
HC            5368    1.008000    0.040000
 -1.2481E+01 -2.7704E+00 -9.5175E+00
  7.0128E+00  1.0576E+01 -1.7990E+01
  6.0398E+02  9.2490E+02 -1.1530E+03
HC            5369    1.008000    0.040000
 -1.3418E+01 -2.0894E+00 -8.2274E+00
 -1.3669E+01 -1.3290E+00 -8.4921E+00
  5.5342E+02  3.5206E+02  4.1544E+02
HC            5370    1.008000    0.040000
 -1.2006E+01 -1.1920E+00 -8.8568E+00
  1.6879E+00  9.2742E+00 -2.3322E+01
 -1.0761E+03  9.0630E+02 -1.7804E+03
CT            5371   12.011000    0.145000
  7.5038E+00  1.1990E+01  1.2591E+01
  4.3111E+00  2.3247E+00  2.4516E+00
 -3.0928E+03 -1.1589E+03 -1.5519E+02
OH            5372    0.000000   -0.683000
  7.7913E+00  1.0767E+01  1.3233E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5373    1.008000    0.418000
  8.4628E+00  1.0935E+01  1.3876E+01
 -1.4190E+01  1.1371E+01  1.2605E+01
 -3.3523E+02 -8.9219E+02 -2.3919E+02
HC            5374    1.008000    0.040000
  6.8274E+00  1.1697E+01  1.1788E+01
  2.6825E+01 -1.2102E+01 -1.2411E+01
 -3.7567E+02  1.6914E+03  8.1952E+02
HC            5375    1.008000    0.040000
  8.2935E+00  1.2491E+01  1.2032E+01
  3.9123E+00  9.9611E-03 -2.0712E-01
  1.3756E+03 -3.0733E+02  2.1995E+03
HC            5376    1.008000    0.040000
  6.9891E+00  1.2619E+01  1.3318E+01
 -2.1250E+01  1.2511E+01 -2.2588E+01
  7.3620E+02  1.5423E+03 -2.3944E+03
CT            5377   12.011000    0.145000
  6.9962E+00  1.8359E+01 -3.9650E+00
  6.7816E-01 -6.8630E+00 -1.3577E+00
 -2.2675E+03 -1.1411E+03  2.0912E+02
OH            5378    0.000000   -0.683000
  7.0062E+00  1.8093E+01 -2.5803E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5379    1.008000    0.418000
  7.9076E+00  1.7818E+01 -2.5082E+00
 -4.1357E+00 -1.8949E+01 -1.2928E+01
 -6.9723E+02  1.0885E+03  2.3777E+03
HC            5380    1.008000    0.040000
  7.3106E+00  1.9359E+01 -4.2616E+00
 -1.2585E+01 -3.5582E+00 -4.9386E+00
 -2.1290E+03  1.1203E+03  2.5428E+03
HC            5381    1.008000    0.040000
  5.9662E+00  1.8155E+01 -4.2576E+00
 -3.3476E+00 -1.8998E+00  8.8640E+00
  7.8692E+01  1.8499E+03 -1.6269E+03
HC            5382    1.008000    0.040000
  7.6321E+00  1.7756E+01 -4.6140E+00
  5.8779E-01 -5.1471E+00 -3.0472E+00
  1.6358E+02 -2.5274E+03  2.7242E+03
CT            5383   12.011000    0.145000
 -5.6835E+00  1.6223E+00 -1.6528E+01
  1.2853E+00  7.2830E+00 -5.5070E+00
 -1.0725E+03 -1.8076E+02 -6.3329E+02
OH            5384    0.000000   -0.683000
 -6.9443E+00  2.1234E+00 -1.6144E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5385    1.008000    0.418000
 -7.4619E+00  2.0610E+00 -1.6932E+01
  4.8281E+00  1.1667E+01 -4.3205E+00
 -5.5946E+02 -5.0428E+02  6.9624E+02
HC            5386    1.008000    0.040000
 -5.3785E+00  6.9086E-01 -1.6051E+01
  1.3551E+01  1.0936E+01 -5.8730E+00
  1.0253E+02  6.5772E+02  8.2386E+02
HC            5387    1.008000    0.040000
 -5.0477E+00  2.4537E+00 -1.6224E+01
 -1.6360E+01  1.4760E+01  1.3306E+01
  1.7209E+03 -1.6600E+03 -3.1932E+03
HC            5388    1.008000    0.040000
 -5.8622E+00  1.4273E+00 -1.7585E+01
  3.1140E+01  2.7395E+01 -1.5583E+01
  4.8132E+03  1.9598E+03 -5.8546E+02
CT            5389   12.011000    0.145000
 -1.7843E+01 -1.7778E+01 -2.0078E+01
  3.8896E+00 -1.4585E+00  6.4133E+00
 -3.2770E+01 -9.9378E+02  4.9385E+02
OH            5390    0.000000   -0.683000
 -1.9051E+01 -1.8102E+01 -1.9428E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5391    1.008000    0.418000
 -1.8800E+01 -1.8108E+01 -1.8517E+01
  6.8746E+00 -3.2560E+01 -8.9384E-01
 -2.2629E+03 -1.1843E+02 -6.6413E+02
HC            5392    1.008000    0.040000
 -1.8020E+01 -1.7574E+01  1.9766E+01
 -1.5492E+01  8.1082E+00  1.1060E+01
 -7.3769E+02  1.2985E+03  7.8678E+02
HC            5393    1.008000    0.040000
 -1.7060E+01 -1.8535E+01 -2.0049E+01
 -2.5405E+00 -7.9888E+00  1.4717E+01
 -2.0749E+03 -2.1429E+03  1.2553E+03
HC            5394    1.008000    0.040000
 -1.7334E+01 -1.6954E+01 -1.9576E+01
 -3.2527E+00  2.8833E+00  6.6597E+00
 -1.8207E+03  1.7827E+03 -1.1894E+03
CT            5395   12.011000    0.145000
  2.5464E+00  1.8351E+01  1.7300E+01
 -2.0300E-01  2.2266E+00 -3.9228E+00
  9.5818E+02  1.4735E+03 -2.5988E+03
OH            5396    0.000000   -0.683000
  2.7341E+00  1.7137E+01  1.6606E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5397    1.008000    0.418000
  2.6645E+00  1.6445E+01  1.7246E+01
 -1.9348E+01  3.9604E+00  2.8027E+00
  9.9098E+02  1.2886E+03  7.9107E+02
HC            5398    1.008000    0.040000
  3.5564E+00  1.8356E+01  1.7709E+01
 -8.0244E-01 -5.2726E+00 -2.1993E+00
 -2.2661E+03  3.4122E+03  5.0250E+03
HC            5399    1.008000    0.040000
  1.6728E+00  1.8285E+01  1.7948E+01
  1.5855E+01  3.5083E+00  1.9047E+01
  3.1627E+03 -4.5011E+02  3.3949E+03
HC            5400    1.008000    0.040000
  2.3949E+00  1.9222E+01  1.6662E+01
  8.9795E+00  4.3837E+00 -3.2978E+00
  1.5334E+03 -1.5076E+02 -8.6599E+02
CT            5401   12.011000    0.145000
  1.0792E+01 -2.8425E+00 -1.4341E+01
 -7.1873E-01 -3.1440E+00 -7.4142E+00
  1.9288E+03  1.6099E+03  2.0566E+02
OH            5402    0.000000   -0.683000
  1.1892E+01 -3.6855E+00 -1.4082E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5403    1.008000    0.418000
  1.1542E+01 -4.1501E+00 -1.3337E+01
 -1.8337E+01  9.5072E+00 -2.1130E+00
 -3.7260E+02  6.8491E+02 -2.5837E+02
HC            5404    1.008000    0.040000
  1.1301E+01 -1.9459E+00 -1.4694E+01
  1.2323E+01 -6.6016E+00  1.8770E+00
 -2.8219E+03  8.7589E+02 -1.0065E+03
HC            5405    1.008000    0.040000
  1.0310E+01 -2.5729E+00 -1.3401E+01
  2.5253E+01  1.8230E+01  1.0307E+00
  1.1338E+03  1.9964E+03 -1.0830E+03
HC            5406    1.008000    0.040000
  9.9673E+00 -3.1923E+00 -1.4963E+01
 -1.5361E+01  3.7610E-01  9.2190E+00
  2.1939E+03 -5.3476E+02 -1.1360E+03
CT            5407   12.011000    0.145000
  3.0837E+00  1.0794E+01  1.9480E+01
  5.0709E-01 -2.3275E+00  1.2050E+00
  2.2549E+03 -1.4747E+03  6.7014E+02
OH            5408    0.000000   -0.683000
  3.0594E+00  1.0144E+01  1.8229E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5409    1.008000    0.418000
  2.7919E+00  9.2437E+00  1.8337E+01
 -2.9991E+00  9.4434E-01  5.3960E-01
 -1.2161E+03  5.1548E+02  1.3083E+03
HC            5410    1.008000    0.040000
  3.3277E+00  1.1851E+01  1.9376E+01
 -8.1716E+00 -1.1161E+00 -8.4281E+00
 -1.5557E+03  1.3488E+02 -4.9487E+02
HC            5411    1.008000    0.040000
  3.9515E+00  1.0482E+01  2.0062E+01
  9.9404E+00 -1.0421E+01 -1.6415E+01
 -1.2329E+03 -2.8344E+03 -4.1598E+01
HC            5412    1.008000    0.040000
  2.1526E+00  1.0734E+01  2.0044E+01
 -1.7978E+00  1.4743E+01 -2.7670E-01
  2.1337E+02 -2.1352E+02 -4.5477E+02
CT            5413   12.011000    0.145000
 -1.4399E+01 -1.0744E+01 -3.0439E+00
 -7.7395E-01 -1.1880E+00 -1.9771E-01
 -2.1656E+03 -2.4280E+03 -9.8658E+02
OH            5414    0.000000   -0.683000
 -1.5349E+01 -1.0279E+01 -2.1116E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5415    1.008000    0.418000
 -1.4809E+01 -1.0232E+01 -1.3379E+00
  2.4469E+01  1.1239E+01 -1.6485E+01
 -6.5899E+02  1.8663E+03 -8.6372E+02
HC            5416    1.008000    0.040000
 -1.3684E+01 -9.9610E+00 -3.2948E+00
  3.7172E+00 -8.8131E+00 -1.2073E+01
  4.5948E+00 -1.0104E+03 -1.5562E+03
HC            5417    1.008000    0.040000
 -1.4870E+01 -1.1097E+01 -3.9616E+00
  1.9349E+01  5.6561E+00 -1.3849E+01
  5.5582E+02  1.6145E+03 -5.9955E+02
HC            5418    1.008000    0.040000
 -1.3801E+01 -1.1593E+01 -2.7125E+00
  7.8620E+00  9.6840E-01 -9.7372E+00
 -4.6044E+02  3.1623E+02  1.0757E+03
CT            5419   12.011000    0.145000
 -1.9634E-02 -7.8891E+00  1.2493E+01
 -2.4236E+00 -3.0174E+00  6.8108E-01
  3.9682E+03  2.0460E+03 -2.8088E+03
OH            5420    0.000000   -0.683000
  9.4565E-01 -8.4676E+00  1.3342E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5421    1.008000    0.418000
  1.7589E+00 -8.2941E+00  1.2893E+01
  6.2028E+00 -7.1885E+00  8.1090E+00
  1.7452E+03 -6.2207E+02  2.9733E+03
HC            5422    1.008000    0.040000
 -8.7907E-01 -8.4214E+00  1.2085E+01
 -2.9996E+00  3.2182E+00 -6.4677E+00
 -8.6734E+01 -1.6802E+03  3.7789E+03
HC            5423    1.008000    0.040000
  5.1367E-01 -7.6896E+00  1.1563E+01
  6.7973E+00  1.4507E+01  9.2338E+00
  6.6310E+02  2.9136E+02  4.3817E+02
HC            5424    1.008000    0.040000
 -2.4947E-01 -6.8685E+00  1.2798E+01
  7.1949E+00  1.9708E+00 -8.1018E+00
 -1.1113E+03 -6.5414E+02  4.5770E+02
CT            5425   12.011000    0.145000
  1.5035E+01 -1.7434E+00 -1.4013E+01
  8.9715E-01 -5.0658E+00  1.7219E+00
 -1.2682E+03 -1.5936E+03  1.5395E+03
OH            5426    0.000000   -0.683000
  1.4177E+01 -2.2317E+00 -1.5020E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5427    1.008000    0.418000
  1.3483E+01 -2.7318E+00 -1.4618E+01
  6.8867E+00  3.7464E+00  1.7474E+01
  8.3804E+02 -8.8641E-01  7.0022E+02
HC            5428    1.008000    0.040000
  1.5585E+01 -8.6898E-01 -1.4362E+01
 -1.7158E+01  8.3191E+00  5.3462E+00
 -3.2189E+02 -5.0173E+02  3.6802E+02
HC            5429    1.008000    0.040000
  1.5740E+01 -2.4903E+00 -1.3648E+01
  1.7807E+01 -8.2542E+00 -3.3270E+01
 -6.7411E+02  1.7872E+02 -1.7495E+03
HC            5430    1.008000    0.040000
  1.4417E+01 -1.3882E+00 -1.3188E+01
  1.1091E+01  2.1554E+01 -1.1109E+00
  7.4145E+02  9.8283E+02 -5.2988E+02
CT            5431   12.011000    0.145000
 -9.4735E+00 -7.6427E+00 -1.2358E+01
 -2.0011E+00  9.7384E-01  4.4444E+00
 -3.9354E+03  2.0052E+03  1.4959E+03
OH            5432    0.000000   -0.683000
 -1.0176E+01 -8.8640E+00 -1.2412E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5433    1.008000    0.418000
 -1.0960E+01 -8.8734E+00 -1.1886E+01
 -2.0770E+01 -3.2098E+01 -2.7317E+01
  1.3440E+03 -9.2754E+01 -2.0170E+03
HC            5434    1.008000    0.040000
 -9.0905E+00 -7.4557E+00 -1.1355E+01
  1.1612E+01 -2.0376E+01  3.8650E+00
  2.1159E+03 -1.5675E+03 -8.6619E+02
HC            5435    1.008000    0.040000
 -1.0132E+01 -6.7984E+00 -1.2563E+01
  4.1618E+00  1.0332E+00 -1.7737E+01
 -6.3481E+02 -8.9442E+02 -1.1610E+03
HC            5436    1.008000    0.040000
 -8.6870E+00 -7.5404E+00 -1.3106E+01
  1.2403E+01  1.0331E+01  2.0152E+01
  5.7688E+02 -6.2434E+02  1.5600E+03
CT            5437   12.011000    0.145000
 -1.5527E+01 -2.0378E+01 -1.1861E+01
 -1.9969E+00  7.2124E-01 -9.0055E-01
  1.7552E+03 -5.2797E+02 -1.0295E+03
OH            5438    0.000000   -0.683000
 -1.5954E+01  1.9184E+01 -1.1978E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5439    1.008000    0.418000
 -1.5814E+01  1.8916E+01 -1.2873E+01
 -1.2287E+01 -1.3540E+01  1.7443E+00
 -3.6260E+03  6.5801E+02 -5.0992E+02
HC            5440    1.008000    0.040000
 -1.5153E+01 -2.0186E+01 -1.0855E+01
 -1.7696E+00 -1.4268E+00 -5.7145E-01
 -1.7538E+03  9.8037E+02  4.0049E+02
HC            5441    1.008000    0.040000
 -1.6152E+01 -1.9577E+01 -1.2256E+01
 -1.3881E+01 -1.3980E+00  1.2778E+01
 -3.6838E+03 -1.9112E+03  2.3290E+03
HC            5442    1.008000    0.040000
 -1.4649E+01 -2.0235E+01 -1.2492E+01
  1.0820E+01 -3.2152E+01  7.3810E+00
  8.5040E+02 -1.3932E+02  2.7687E+03
CT            5443   12.011000    0.145000
  1.1319E+00  6.1994E+00  1.8362E+01
 -1.4053E+00  4.5373E+00 -6.6543E+00
 -5.8796E+01  6.2558E+02  1.4692E+02
OH            5444    0.000000   -0.683000
  1.5590E+00  7.3456E+00  1.9063E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5445    1.008000    0.418000
  1.1562E+00  7.2248E+00  1.9910E+01
  2.1668E+00 -8.4937E+00 -8.8977E-02
  2.1042E+03 -7.7358E+02  8.3886E+02
HC            5446    1.008000    0.040000
  1.2840E+00  6.0735E+00  1.7290E+01
 -3.1034E+01  2.2761E+01 -1.4178E+01
  1.5354E+03  2.7511E+03  1.1433E+03
HC            5447    1.008000    0.040000
  4.9500E-02  6.2799E+00  1.8462E+01
 -2.9165E-01  1.3826E+01 -8.5677E-01
  1.6904E+01 -2.7980E+03  1.3131E+02
HC            5448    1.008000    0.040000
  1.5792E+00  5.3865E+00  1.8934E+01
 -1.3849E+00  1.3155E+01  5.9860E+00
 -1.9889E+03 -1.0330E+03 -5.2297E+02
CT            5449   12.011000    0.145000
  2.1452E+00 -5.1570E+00  1.4585E+01
  1.6306E+00 -9.7650E-02 -4.9173E+00
  1.1014E+03  1.4163E+02 -3.3024E+03
OH            5450    0.000000   -0.683000
  1.6784E+00 -3.8381E+00  1.4409E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5451    1.008000    0.418000
  1.4364E+00 -3.4427E+00  1.5232E+01
  1.3979E+01  1.1352E+01 -9.4660E-01
 -8.4572E+02 -3.6289E+02 -5.4974E+02
HC            5452    1.008000    0.040000
  2.9177E+00 -5.1587E+00  1.5354E+01
  7.3650E+00  2.0310E+01 -1.0015E+01
 -2.0655E+03 -1.1882E+03  1.0188E+03
HC            5453    1.008000    0.040000
  2.6856E+00 -5.4408E+00  1.3681E+01
  6.4393E+00  2.3284E+01 -1.0048E+01
 -1.5275E+02  9.0337E+02 -1.2033E+02
HC            5454    1.008000    0.040000
  1.3677E+00 -5.9161E+00  1.4670E+01
  1.3226E+01 -1.0406E+01  1.7724E+01
  2.3325E+02  9.2198E+02  3.2609E+03
CT            5455   12.011000    0.145000
 -1.3259E+01 -6.1646E+00 -9.4604E+00
 -4.5969E+00  3.5194E+00  3.0817E+00
 -2.4524E+03  9.0765E+02  3.0948E+03
OH            5456    0.000000   -0.683000
 -1.4222E+01 -7.1358E+00 -9.8022E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5457    1.008000    0.418000
 -1.4364E+01 -7.6089E+00 -8.9966E+00
  1.0036E+01  2.1304E+00  3.1617E+00
  1.1245E+03  4.3692E+02  3.7328E+02
HC            5458    1.008000    0.040000
 -1.3050E+01 -5.4003E+00 -1.0209E+01
 -1.9702E+01  7.3879E+00  2.4856E+00
 -1.1479E+03 -9.8426E+02 -8.0766E+02
HC            5459    1.008000    0.040000
 -1.2291E+01 -6.5193E+00 -9.1070E+00
  5.3036E+00  1.5808E+01 -1.0481E+01
 -1.1365E+03 -1.5143E+03 -2.8436E+02
HC            5460    1.008000    0.040000
 -1.3736E+01 -5.6589E+00 -8.6208E+00
  9.2260E+00  1.2106E+01  6.0894E+00
  1.7039E+03  1.7626E+03  1.7853E+02
CT            5461   12.011000    0.145000
 -9.7499E+00  5.6920E+00  1.0725E+01
  6.3288E+00  1.7480E+00  7.2362E+00
 -8.9701E+02 -1.0738E+03 -1.8259E+03
OH            5462    0.000000   -0.683000
 -8.8401E+00  4.7918E+00  1.0133E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5463    1.008000    0.418000
 -8.8396E+00  4.0285E+00  1.0690E+01
  3.7214E+00 -2.9756E+00 -4.0095E+00
  1.7245E+03 -6.4591E+01 -1.1956E+02
HC            5464    1.008000    0.040000
 -9.5293E+00  6.7496E+00  1.0580E+01
  1.4273E+01  1.9355E+00  1.9297E+01
 -3.0434E+02 -3.6668E+02 -7.9776E+02
HC            5465    1.008000    0.040000
 -9.7664E+00  5.4874E+00  1.1795E+01
  2.0298E+00 -8.5508E+00  5.3214E+00
 -2.1002E+03  1.7249E+02 -2.3955E+02
HC            5466    1.008000    0.040000
 -1.0685E+01  5.4632E+00  1.0213E+01
 -1.1125E+00 -2.6274E+00  2.2195E+01
 -1.7392E+03  1.0646E+02  2.9773E+03
CT            5467   12.011000    0.145000
  5.0547E+00 -1.3625E+01 -1.6726E+01
 -1.8590E+00 -9.0228E+00 -2.3144E+00
  2.4528E+02 -1.7554E+03 -2.5201E+03
OH            5468    0.000000   -0.683000
  6.4391E+00 -1.3878E+01 -1.6812E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5469    1.008000    0.418000
  6.7786E+00 -1.4575E+01 -1.6272E+01
 -3.1475E+00 -6.0530E+00 -5.6880E+00
 -5.2670E+03 -1.2759E+03  1.5172E+03
HC            5470    1.008000    0.040000
  4.8353E+00 -1.2701E+01 -1.7262E+01
 -1.1205E+01  8.6737E+00  2.9377E+01
 -3.5649E+01 -3.4797E+02  1.6931E+03
HC            5471    1.008000    0.040000
  4.6660E+00 -1.3457E+01 -1.5722E+01
 -7.0422E+00  1.3779E-01 -5.7293E+00
  2.2202E+02 -6.9071E+02 -1.9048E+02
HC            5472    1.008000    0.040000
  4.5166E+00 -1.4396E+01 -1.7276E+01
 -1.2715E+01 -2.8612E+00 -6.2863E-01
 -1.2079E+03 -7.7938E+02  2.0949E+03
CT            5473   12.011000    0.145000
  1.9951E+01 -8.1836E+00  1.3410E+01
  3.7323E-01 -3.0167E+00 -2.5252E+00
 -1.2571E+02 -3.2186E+03 -1.8926E+03
OH            5474    0.000000   -0.683000
 -1.9962E+01 -8.7516E+00  1.4241E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5475    1.008000    0.418000
 -2.0184E+01 -8.4895E+00  1.5121E+01
  1.8898E+00 -3.5026E+01  1.2480E+01
  2.7086E+03  4.6289E+02 -1.1781E+03
HC            5476    1.008000    0.040000
  1.9185E+01 -8.9322E+00  1.3205E+01
  9.7636E+00 -1.7903E+01  1.3945E+01
  6.5650E+02 -7.5091E+02  1.2690E+03
HC            5477    1.008000    0.040000
  2.0347E+01 -7.9007E+00  1.2435E+01
  7.5302E+00  1.2685E+01  4.5807E+00
  1.5736E+03 -3.6916E+02  7.5584E+02
HC            5478    1.008000    0.040000
  1.9411E+01 -7.2860E+00  1.3713E+01
  1.1498E+01  1.5779E+01 -3.3672E+01
  3.0396E+03 -8.0939E+02  1.5756E+03
CT            5479   12.011000    0.145000
  1.7415E+01 -1.7289E+00  1.9730E+01
  2.3676E-01 -2.6616E+00 -1.1863E+00
  2.0526E+03 -5.6713E+02 -7.0513E+02
OH            5480    0.000000   -0.683000
  1.7747E+01 -2.2593E+00 -1.9906E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5481    1.008000    0.418000
  1.7024E+01 -1.9655E+00 -1.9373E+01
 -6.2311E-02  6.8509E+00 -3.7457E+00
  5.2712E+02 -2.5046E+03  1.7657E+03
HC            5482    1.008000    0.040000
  1.6433E+01 -2.0483E+00  1.9380E+01
 -1.2423E+01  1.3758E+01  1.7129E+01
 -2.9945E+02  1.3076E+03  1.5888E+03
HC            5483    1.008000    0.040000
  1.8123E+01 -1.9815E+00  1.8941E+01
  1.7247E+00  3.1708E+00 -1.7645E+00
  1.8300E+03 -1.9280E+03  2.1538E+03
HC            5484    1.008000    0.040000
  1.7558E+01 -6.4890E-01  1.9697E+01
  1.8240E+01 -4.2001E+00  1.1712E+01
 -2.7069E+03 -1.7912E+02  1.9821E+03
CT            5485   12.011000    0.145000
  1.2538E+01 -1.8653E+01 -3.4803E+00
 -6.5693E+00  7.1681E-01  1.5198E+00
 -2.8810E+02 -1.7900E+03  1.4757E+03
OH            5486    0.000000   -0.683000
  1.2894E+01 -1.8017E+01 -2.2731E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5487    1.008000    0.418000
  1.3583E+01 -1.7385E+01 -2.4096E+00
  5.5314E+00 -8.9477E+00 -1.6270E+01
  3.1837E+02 -1.2344E+03 -2.9843E+03
HC            5488    1.008000    0.040000
  1.3311E+01 -1.9289E+01 -3.9133E+00
 -8.1227E+00  1.4734E+01 -2.3759E+01
  6.1068E+02  1.2382E+03  1.2872E+03
HC            5489    1.008000    0.040000
  1.2169E+01 -1.8073E+01 -4.3261E+00
  9.2050E+00  2.4356E+01  9.7956E+00
  2.0899E+03  3.8056E+03  2.3282E+03
HC            5490    1.008000    0.040000
  1.1728E+01 -1.9366E+01 -3.3298E+00
  8.7838E+00 -1.8676E+01 -3.4491E+00
  3.3137E+02  8.7568E+02  1.9520E+03
CT            5491   12.011000    0.145000
 -1.3840E+01 -1.3029E+01  4.7926E+00
  5.0154E+00  3.4580E-01 -3.8254E+00
  2.1175E+03 -2.3970E+03 -9.7360E+02
OH            5492    0.000000   -0.683000
 -1.2997E+01 -1.2920E+01  5.9178E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5493    1.008000    0.418000
 -1.3545E+01 -1.2470E+01  6.5428E+00
 -1.5870E+00  1.5760E+01 -1.2083E+01
  7.8122E+02 -1.4029E+03  8.2991E+02
HC            5494    1.008000    0.040000
 -1.4394E+01 -1.2115E+01  4.5818E+00
 -5.6309E+00 -3.7282E+00  5.4771E+00
 -1.8536E+03 -9.7893E+02  2.1491E+03
HC            5495    1.008000    0.040000
 -1.4450E+01 -1.3921E+01  4.9363E+00
 -1.4891E+00  4.1387E+00 -7.4039E+00
 -2.8354E+03  1.9482E+03  5.0372E+02
HC            5496    1.008000    0.040000
 -1.3348E+01 -1.3237E+01  3.8423E+00
  1.8740E+01  3.8828E+00  2.2544E+00
  3.2661E+03 -1.6435E+01  1.5316E+03
CT            5497   12.011000    0.145000
  4.2878E+00 -1.4474E+01  2.6053E+00
  3.7908E+00  5.1071E+00  8.7194E-01
 -7.0021E+02 -2.9107E+03 -1.5668E+03
OH            5498    0.000000   -0.683000
  5.1933E+00 -1.5278E+01  3.3281E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5499    1.008000    0.418000
  4.6603E+00 -1.5900E+01  3.7987E+00
  9.4776E+00 -1.4295E+01 -7.4330E+00
 -4.7403E+02  5.2981E+02 -6.4931E+02
HC            5500    1.008000    0.040000
  3.3574E+00 -1.4431E+01  3.1714E+00
  5.7701E+00  1.3252E+01  3.6421E+00
  2.0995E+02  2.7414E+03  9.2216E+01
HC            5501    1.008000    0.040000
  4.0584E+00 -1.4983E+01  1.6690E+00
  4.2269E+01 -6.8472E-01 -7.0967E+00
  1.5374E+03  8.3224E+02  3.8061E+02
HC            5502    1.008000    0.040000
  4.6421E+00 -1.3473E+01  2.3597E+00
 -1.0836E+01  7.7109E+00 -1.1097E+01
 -4.9451E+02 -3.7980E+02  1.3763E+02
CT            5503   12.011000    0.145000
  1.7388E+01 -2.0426E+01  1.2235E+01
 -2.6787E-01 -1.1841E+00  1.3430E+00
  6.0713E+02  2.8928E+03 -3.0147E+03
OH            5504    0.000000   -0.683000
  1.8692E+01 -2.0177E+01  1.2712E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5505    1.008000    0.418000
  1.9291E+01  2.0257E+01  1.2149E+01
 -4.3461E+00  4.9582E+00 -8.9538E+00
  8.7212E+02  9.7744E+02  3.6297E+02
HC            5506    1.008000    0.040000
  1.6650E+01 -1.9728E+01  1.2629E+01
  9.6161E+00  8.3065E+00  3.5605E+00
 -2.5895E+02 -2.3338E+03  2.9409E+03
HC            5507    1.008000    0.040000
  1.7313E+01  1.9412E+01  1.2466E+01
 -7.3745E+00 -1.3016E+00 -1.2569E+00
 -4.5755E+03  7.9328E+01 -2.3144E+03
HC            5508    1.008000    0.040000
  1.7457E+01 -2.0114E+01  1.1193E+01
  1.0513E+00 -6.2460E+00 -1.1264E-01
 -8.3493E+02 -3.9203E+03 -1.5742E+03
CT            5509   12.011000    0.145000
  9.7652E+00  1.9259E+01 -1.2143E+01
  2.0962E+00 -5.3546E+00  3.3395E+00
  1.9563E+02 -1.2908E+03  1.0277E+03
OH            5510    0.000000   -0.683000
  8.4378E+00  1.8993E+01 -1.1748E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5511    1.008000    0.418000
  8.1132E+00  1.9843E+01 -1.1490E+01
  2.6034E+00  2.5257E+00 -4.8864E+00
 -1.0032E+03 -2.3521E+02 -6.4371E+02
HC            5512    1.008000    0.040000
  9.9105E+00  2.0207E+01 -1.2660E+01
  1.2892E+01 -5.7822E+00  5.3552E+00
 -1.5601E+03 -1.2045E+02 -1.1037E+00
HC            5513    1.008000    0.040000
  1.0213E+01  1.8490E+01 -1.2773E+01
  1.3599E+00 -8.1797E+00  6.2334E+00
 -1.0520E+03 -7.6151E+02  1.3817E+02
HC            5514    1.008000    0.040000
  1.0350E+01  1.9285E+01 -1.1224E+01
 -1.2854E+01 -1.4746E+01  1.3581E+01
 -3.7869E+02  8.6759E+01 -1.1629E+02
CT            5515   12.011000    0.145000
 -6.3909E+00  3.9657E+00  6.6639E+00
 -1.9313E+00  1.3236E+00  3.5661E-01
 -2.4273E+03  5.8081E+02  9.4385E+02
OH            5516    0.000000   -0.683000
 -6.9901E+00  3.3947E+00  5.5224E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5517    1.008000    0.418000
 -6.8792E+00  2.4602E+00  5.6079E+00
 -1.3610E+00  9.9863E-01  1.5545E+01
 -4.5814E+02  3.1441E+02  3.3814E+03
HC            5518    1.008000    0.040000
 -5.4336E+00  3.5062E+00  6.9098E+00
 -8.8418E+00 -1.6882E+01 -5.0988E+00
 -9.2873E+02 -1.0663E+03 -4.1852E+02
HC            5519    1.008000    0.040000
 -7.0873E+00  3.8176E+00  7.4893E+00
  2.5106E+01  2.4975E+01  3.0043E+01
  3.4886E+03  1.5562E+03  1.6517E+03
HC            5520    1.008000    0.040000
 -6.2210E+00  5.0328E+00  6.5204E+00
  7.3505E+00 -2.7447E+00 -2.3630E+01
 -1.2959E+03 -4.5181E+02  5.6248E+01
CT            5521   12.011000    0.145000
  1.9304E+01 -1.3461E+01  9.9929E+00
 -1.2933E+00  1.7755E+00  1.0358E+00
 -3.5798E+03  2.9156E+03  2.3306E+03
OH            5522    0.000000   -0.683000
  1.8738E+01 -1.3147E+01  8.7407E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5523    1.008000    0.418000
  1.9076E+01 -1.2271E+01  8.6337E+00
  3.9869E+00 -2.8120E+00 -1.1962E+01
  9.6456E+02 -6.7739E+02 -1.8891E+03
HC            5524    1.008000    0.040000
  1.8726E+01 -1.4263E+01  1.0451E+01
  1.6109E+00 -1.4598E+01 -2.2162E+01
  3.7979E+03 -2.1609E+03 -2.0324E+02
HC            5525    1.008000    0.040000
  1.9041E+01 -1.2526E+01  1.0487E+01
  1.5358E+01  2.3915E+00  9.4550E+00
  1.3838E+03 -1.0023E+03  3.1125E+03
HC            5526    1.008000    0.040000
  2.0390E+01 -1.3493E+01  9.8954E+00
 -1.9022E+00 -6.2994E+00 -4.0797E+00
 -2.7084E+02 -2.8956E+03  2.1300E+03
CT            5527   12.011000    0.145000
 -1.5155E+01  6.9652E+00  7.0423E+00
  4.1304E+00  4.5376E+00 -4.8918E-01
  3.0986E+03  3.5172E+03  6.1872E+02
OH            5528    0.000000   -0.683000
 -1.4153E+01  6.0962E+00  7.5206E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5529    1.008000    0.418000
 -1.3498E+01  6.0761E+00  6.8399E+00
 -2.3956E+01  7.1645E+00 -2.5118E+01
 -8.3260E+02  1.1914E+03  1.0142E+03
HC            5530    1.008000    0.040000
 -1.6155E+01  6.7205E+00  7.3994E+00
  8.4157E-01  1.4874E+01 -2.2825E+00
  4.1153E+02 -2.1732E+02 -2.7648E+02
HC            5531    1.008000    0.040000
 -1.5141E+01  7.1162E+00  5.9629E+00
  9.4088E+00 -1.2597E+01 -3.1219E+00
 -2.4950E+02 -3.9231E+03 -4.6729E+02
HC            5532    1.008000    0.040000
 -1.4946E+01  8.0129E+00  7.2586E+00
  1.2758E+01  1.2921E+01 -4.1136E+01
 -2.6110E+02 -1.9603E+03  1.5105E+03
CT            5533   12.011000    0.145000
 -2.0148E+01 -1.3213E+01  6.2503E+00
  2.2166E+00 -3.2478E+00  9.4845E-01
  5.1549E+03  6.0345E+03  2.2798E+03
OH            5534    0.000000   -0.683000
 -1.9567E+01 -1.3187E+01  4.9661E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5535    1.008000    0.418000
 -1.8952E+01 -1.3880E+01  4.7799E+00
  1.0002E+01  8.9306E+00 -1.1872E+00
  4.2139E+02 -7.6928E+02  5.8074E+03
HC            5536    1.008000    0.040000
  1.9882E+01 -1.2575E+01  6.0941E+00
 -5.1705E+00 -1.5774E+01 -1.1529E+01
 -1.9725E+03 -2.5707E+03  3.1775E+03
HC            5537    1.008000    0.040000
 -1.9420E+01 -1.2593E+01  6.7725E+00
 -1.4889E+00  7.6676E+00 -6.4863E+00
 -6.1239E+02 -2.7001E+02  2.0475E+03
HC            5538    1.008000    0.040000
 -2.0248E+01 -1.4100E+01  6.8768E+00
 -2.0995E-01  7.9833E+00  1.7078E+01
 -1.5447E+03 -6.6765E+02 -2.8254E+03
CT            5539   12.011000    0.145000
 -5.3718E+00  8.7136E+00 -8.0277E+00
 -1.4689E+00 -4.2502E-01  6.7914E+00
 -1.4168E+02 -4.5048E+02  1.4378E+03
OH            5540    0.000000   -0.683000
 -4.5614E+00  7.5637E+00 -7.9315E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5541    1.008000    0.418000
 -3.7183E+00  7.7335E+00 -7.5400E+00
  1.8975E+01 -3.7031E+01 -1.9413E+01
 -3.5350E+02 -1.1226E+03 -3.2391E+03
HC            5542    1.008000    0.040000
 -6.4446E+00  8.5567E+00 -7.9156E+00
 -3.7357E+00  3.4202E+00 -7.5104E+00
  4.0467E+02 -2.5577E+03 -1.2602E+03
HC            5543    1.008000    0.040000
 -5.3140E+00  9.2742E+00 -8.9607E+00
 -1.9117E+01  2.0839E+01  1.7532E+01
  1.5450E+03 -2.7361E+02  1.1254E+03
HC            5544    1.008000    0.040000
 -5.1967E+00  9.3648E+00 -7.1713E+00
  1.8215E+00 -1.2792E+01  1.5809E+01
  1.9764E+03  7.2965E+02 -1.2440E+03
CT            5545   12.011000    0.145000
  5.5064E+00 -9.6085E+00 -1.7450E+01
  1.5700E+00  4.2325E-01  5.5343E-01
  8.0497E+03 -6.2597E+01  2.1839E+03
OH            5546    0.000000   -0.683000
  5.8637E+00 -9.2280E+00 -1.8760E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5547    1.008000    0.418000
  5.5596E+00 -9.9416E+00 -1.9300E+01
 -5.5057E+00  5.0995E+00 -3.7703E+00
 -4.8597E+02 -1.0066E+02  5.3922E+02
HC            5548    1.008000    0.040000
  5.7015E+00 -1.0645E+01 -1.7176E+01
 -8.5178E+00  5.0449E-01  8.6668E+00
 -1.6281E+03 -1.0010E+03 -2.6692E+03
HC            5549    1.008000    0.040000
  4.5027E+00 -9.3842E+00 -1.7089E+01
  1.4458E+00 -1.0075E+01  7.1567E+00
  3.7540E+02  7.2172E+02 -1.7852E+03
HC            5550    1.008000    0.040000
  6.2829E+00 -9.2259E+00 -1.6787E+01
  7.5393E+00  6.3130E+00 -9.5846E+00
 -1.5105E+03  3.7635E+03  2.9693E+02
CT            5551   12.011000    0.145000
  1.3720E+01 -7.7898E+00 -1.8512E+01
  1.6182E-01  8.8943E-01  1.9295E+00
  2.8700E+03  3.2894E+03 -6.4260E+02
OH            5552    0.000000   -0.683000
  1.2662E+01 -6.9137E+00 -1.8830E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5553    1.008000    0.418000
  1.1933E+01 -7.5071E+00 -1.8925E+01
  9.5942E+00 -1.0153E+01 -1.4412E+01
  3.7145E+02  3.6471E+02 -1.9303E+03
HC            5554    1.008000    0.040000
  1.3541E+01 -8.4569E+00 -1.7669E+01
 -2.4469E+01  1.7689E+01  1.1125E+01
 -2.3031E+03  4.0060E+02 -1.4340E+03
HC            5555    1.008000    0.040000
  1.4583E+01 -7.2097E+00 -1.8185E+01
 -2.1057E-01  9.3916E-01  2.8254E+00
  1.6955E+02  7.6868E+02 -7.5334E+02
HC            5556    1.008000    0.040000
  1.4023E+01 -8.2735E+00 -1.9441E+01
 -5.1531E+00  1.1182E+01 -5.3671E+00
 -2.1038E+02 -1.1107E+03  8.0879E+02
CT            5557   12.011000    0.145000
  8.5707E+00  1.1467E+01  6.6081E+00
  6.8065E+00 -6.3785E+00 -3.5297E+00
 -4.3639E+02 -1.4573E+02 -9.8430E+02
OH            5558    0.000000   -0.683000
  7.5456E+00  1.0746E+01  5.9614E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5559    1.008000    0.418000
  7.3168E+00  9.9966E+00  6.4895E+00
 -3.9085E+00  1.6844E+00  7.3309E-01
  1.0139E+03  1.8137E+03  2.9387E+03
HC            5560    1.008000    0.040000
  9.3682E+00  1.0794E+01  6.9238E+00
 -1.0975E+01 -2.0683E+01  1.3483E+01
 -2.2745E+02  6.6217E+02 -1.0460E+03
HC            5561    1.008000    0.040000
  8.2206E+00  1.1993E+01  7.4959E+00
 -1.2290E+00  9.9652E+00 -1.5850E+01
 -9.3487E+02 -3.3014E+02 -7.5373E+02
HC            5562    1.008000    0.040000
  8.8957E+00  1.2241E+01  5.9136E+00
 -7.6135E+00 -2.4808E+00 -6.2624E+00
  5.6617E+02  4.4140E+01  6.6013E+02
CT            5563   12.011000    0.145000
 -4.6293E+00 -2.6978E+00  1.5239E+01
  7.9990E-02  1.5634E+00 -2.9476E+00
 -2.3479E+01  2.1151E+02 -1.6973E+02
OH            5564    0.000000   -0.683000
 -5.6865E+00 -1.8635E+00  1.5657E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5565    1.008000    0.418000
 -6.4632E+00 -2.3407E+00  1.5408E+01
  2.0075E+00 -6.0276E+00  5.0211E+00
 -7.7120E+02  9.1269E+02  9.7418E+02
HC            5566    1.008000    0.040000
 -4.6121E+00 -2.7218E+00  1.4150E+01
 -4.7218E+00 -4.1966E+00 -2.9481E+00
  1.1268E+03  1.1847E+02  7.7776E+01
HC            5567    1.008000    0.040000
 -4.6444E+00 -3.7403E+00  1.5557E+01
  3.7771E+01 -1.7067E+00 -7.3275E+00
 -2.8111E+03  1.7787E+03 -4.2225E+02
HC            5568    1.008000    0.040000
 -3.6878E+00 -2.3744E+00  1.5683E+01
  4.6724E-01 -9.5902E+00  4.7717E+00
  1.9964E+02  1.0082E+03 -1.8257E+03
CT            5569   12.011000    0.145000
  5.9432E+00  1.4593E+01  1.8893E+01
  7.1424E+00 -3.4017E+00 -1.8751E+00
 -5.1261E+03  3.1878E+03  7.2322E+02
OH            5570    0.000000   -0.683000
  5.6347E+00  1.4720E+01  1.7523E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5571    1.008000    0.418000
  5.1043E+00  1.3965E+01  1.7320E+01
  5.4997E+00  3.2995E+00 -3.1882E+01
  2.8928E+03 -3.5526E+02 -2.9846E+03
HC            5572    1.008000    0.040000
  4.9795E+00  1.4398E+01  1.9363E+01
 -1.3707E+00 -5.5938E-01 -1.7442E+01
 -2.4289E+02 -4.5253E+02 -5.0518E+02
HC            5573    1.008000    0.040000
  6.2226E+00  1.5566E+01  1.9297E+01
  1.4087E+01  4.5617E+00 -2.4287E+01
  2.6490E+03 -8.3627E+02 -7.0308E+02
HC            5574    1.008000    0.040000
  6.5682E+00  1.3749E+01  1.9184E+01
  5.2168E+00 -9.8446E+00 -1.5618E+01
  6.0420E+02  5.5965E+02 -1.8485E+03
CT            5575   12.011000    0.145000
 -1.2422E+01  1.3756E+01 -3.9975E-01
  8.4573E+00  4.4278E+00  2.1468E+00
  1.1445E+03  3.7685E+02 -5.4951E+02
OH            5576    0.000000   -0.683000
 -1.2166E+01  1.3913E+01 -1.7774E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5577    1.008000    0.418000
 -1.2053E+01  1.4851E+01 -1.8161E+00
  5.2290E+00  2.7616E-01  1.5223E+01
  5.5686E+02 -2.4200E+02  8.8202E+02
HC            5578    1.008000    0.040000
 -1.1483E+01  1.3430E+01  4.8619E-02
  1.1180E+01 -4.5008E+00 -9.5345E+00
 -6.9370E+02 -5.3412E+02  6.4216E+02
HC            5579    1.008000    0.040000
 -1.3212E+01  1.3023E+01 -2.3884E-01
  1.2408E+01 -2.5174E+00 -8.9164E+00
  8.1170E+02 -5.1666E+02 -4.0114E+01
HC            5580    1.008000    0.040000
 -1.2719E+01  1.4723E+01  4.8437E-03
  6.8949E+00  1.8756E+01 -3.0169E+01
 -7.8618E+01 -9.6554E+02 -8.1056E+02
CT            5581   12.011000    0.145000
  6.0098E+00  1.0937E+01 -5.5458E+00
 -4.4013E-01  3.2921E+00 -1.0026E-01
 -5.6478E+03 -6.0139E+02 -2.6932E+03
OH            5582    0.000000   -0.683000
  5.3877E+00  1.0889E+01 -4.2814E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5583    1.008000    0.418000
  4.5150E+00  1.1206E+01 -4.4565E+00
 -8.1252E+00 -2.4816E+01 -8.8115E+00
 -3.7512E+02 -2.4532E+03  5.0905E+02
HC            5584    1.008000    0.040000
  7.0774E+00  1.0746E+01 -5.4379E+00
 -2.3873E+00 -3.0196E+00  9.1835E+00
 -3.7430E+02  3.5338E+02 -2.8364E+03
HC            5585    1.008000    0.040000
  5.5548E+00  1.1775E+01 -6.0733E+00
 -2.1323E+01 -3.3338E+00  6.3890E+00
  5.2811E+03  1.8517E+03 -3.3145E+01
HC            5586    1.008000    0.040000
  5.3668E+00  1.0175E+01 -5.9862E+00
 -7.6833E+00  4.2045E+00  8.6036E+00
  4.1100E+03 -3.2094E+03 -6.5490E+02
CT            5587   12.011000    0.145000
  4.0111E+00 -8.3104E+00  3.5019E+00
 -2.8864E+00 -7.6425E+00  3.4203E+00
 -1.2071E+03  4.5286E+01 -2.8410E+03
OH            5588    0.000000   -0.683000
  2.7433E+00 -7.7289E+00  3.7085E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5589    1.008000    0.418000
  2.3874E+00 -8.2309E+00  4.4257E+00
 -1.0098E+01 -3.5846E+00 -7.2855E+00
 -5.1824E+03  1.4377E+03 -1.5611E+03
HC            5590    1.008000    0.040000
  4.4853E+00 -8.6842E+00  4.4094E+00
 -1.0667E+01  2.4155E+01  2.2153E+01
 -4.0864E+02  2.8290E+03 -9.2983E+01
HC            5591    1.008000    0.040000
  4.6196E+00 -7.5473E+00  3.0167E+00
  1.0344E+01 -1.0266E+01  1.5227E+01
  1.6781E+03 -6.5262E+02  1.2953E+03
HC            5592    1.008000    0.040000
  3.9479E+00 -9.1324E+00  2.7889E+00
 -3.9643E+00 -3.2424E+00 -1.6207E+00
 -1.0850E+03  5.8887E+01 -1.5193E+02
CT            5593   12.011000    0.145000
  3.3862E+00 -3.5695E+00  2.1454E+00
 -2.0110E+00  3.4713E+00 -7.7181E-01
  2.0934E+03 -2.6640E+03 -1.0796E+03
OH            5594    0.000000   -0.683000
  4.5657E+00 -2.8366E+00  2.3898E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5595    1.008000    0.418000
  4.4697E+00 -2.1121E+00  1.7908E+00
 -1.9744E+00 -1.2154E+01 -1.5016E+01
  2.3354E+03 -3.2356E+02 -1.2111E+02
HC            5596    1.008000    0.040000
  3.4833E+00 -3.8697E+00  1.1021E+00
 -7.9185E+00 -8.2788E+00  1.8870E+00
 -2.1171E+03 -1.0612E+03  3.1508E+01
HC            5597    1.008000    0.040000
  2.4172E+00 -3.1119E+00  2.3445E+00
 -1.2889E+01 -2.7208E+01  2.5625E+01
  1.9306E+03 -4.1418E+02 -5.3725E+02
HC            5598    1.008000    0.040000
  3.4618E+00 -4.4563E+00  2.7747E+00
  3.8847E-01  5.7175E+00  2.1363E+00
 -1.6041E+03 -4.7806E+02 -3.1145E+02
CT            5599   12.011000    0.145000
  1.6184E+01 -1.8667E+01 -5.0892E+00
 -1.4733E+00  1.4008E-01 -3.4404E-01
 -6.0939E+03  1.9593E+02  6.8983E+02
OH            5600    0.000000   -0.683000
  1.6257E+01 -1.7282E+01 -4.8339E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5601    1.008000    0.418000
  1.6386E+01 -1.7044E+01 -3.9284E+00
  2.3955E+00  5.7576E+00 -1.8041E+00
 -5.6059E+03 -2.0109E+03  1.0792E+03
HC            5602    1.008000    0.040000
  1.6465E+01 -1.9328E+01 -4.2701E+00
  5.9750E+00 -2.6229E+01 -2.2683E+01
  9.5097E+02 -5.2029E+02 -2.0784E+03
HC            5603    1.008000    0.040000
  1.6549E+01 -1.8952E+01 -6.0755E+00
  5.7053E+00 -7.3267E+00  4.3484E+00
  2.7783E+03 -1.2611E+03  1.6456E+03
HC            5604    1.008000    0.040000
  1.5108E+01 -1.8678E+01 -5.2639E+00
  1.2965E+00 -4.8084E+00 -1.9326E+01
 -2.3171E+02 -3.5071E+03  9.4269E+02
CT            5605   12.011000    0.145000
 -1.0640E+01 -1.3605E+01 -1.5602E+01
 -2.2280E+00 -1.3208E+00  4.8393E+00
 -6.1287E+02 -1.5047E+03  1.9581E+03
OH            5606    0.000000   -0.683000
 -9.3627E+00 -1.3558E+01 -1.5007E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5607    1.008000    0.418000
 -9.2417E+00 -1.2695E+01 -1.4642E+01
  1.1456E+01 -3.5542E+00  5.0599E+00
 -1.2406E+03 -6.1775E+02  1.3228E+03
HC            5608    1.008000    0.040000
 -1.0752E+01 -1.3000E+01 -1.6502E+01
 -2.3225E+01 -1.8035E+01 -4.6836E+00
  4.2411E+02 -3.7629E+02  9.0432E+02
HC            5609    1.008000    0.040000
 -1.1414E+01 -1.3290E+01 -1.4902E+01
 -3.7411E+00  1.2728E+00  2.0246E+00
  9.7944E+02  1.8015E+03  4.1564E+02
HC            5610    1.008000    0.040000
 -1.0943E+01 -1.4602E+01 -1.5922E+01
  4.3736E+01 -7.7895E+00 -2.8790E+01
  3.8605E+03  1.4582E+03 -3.5165E+02
CT            5611   12.011000    0.145000
  8.6597E+00  1.0948E+01 -1.4534E+01
  6.2972E+00 -4.8300E+00  4.9240E+00
 -2.1703E+03 -5.1405E+03  2.3592E+03
OH            5612    0.000000   -0.683000
  8.1553E+00  1.1518E+01 -1.3348E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5613    1.008000    0.418000
  8.0891E+00  1.2413E+01 -1.3643E+01
  8.3298E+00  3.2737E+00  7.5891E+00
 -7.7833E+02  9.1949E+02  3.2258E+03
HC            5614    1.008000    0.040000
  7.7201E+00  1.0527E+01 -1.4892E+01
  2.7219E+00  3.9724E-01  8.0256E+00
  1.3747E+03 -5.0412E+02 -3.3883E+03
HC            5615    1.008000    0.040000
  9.3191E+00  1.0142E+01 -1.4212E+01
 -4.9359E+00 -1.0017E+01  1.5764E+01
  5.5494E+02 -9.1795E+01 -1.7134E+03
HC            5616    1.008000    0.040000
  9.1041E+00  1.1688E+01 -1.5200E+01
  6.5612E+00  5.1750E+00  1.5900E+01
 -6.5601E+01 -6.1170E+02  4.0655E+02
CT            5617   12.011000    0.145000
  1.0140E+01 -1.9108E+01  6.9743E+00
 -6.8398E+00  4.2884E-01  3.7216E+00
  4.9102E+03  7.5273E+02  1.0981E+03
OH            5618    0.000000   -0.683000
  1.0139E+01 -1.7709E+01  6.7952E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5619    1.008000    0.418000
  1.0835E+01 -1.7407E+01  6.2322E+00
  1.3508E+01 -1.9491E+01  5.1784E+00
  4.0784E+02 -6.1211E+03 -2.3782E+03
HC            5620    1.008000    0.040000
  1.1159E+01 -1.9143E+01  7.3605E+00
  1.0137E+00  1.8063E-01 -1.5862E+01
  5.5434E+02 -4.4676E+03 -1.6053E+03
HC            5621    1.008000    0.040000
  1.0035E+01 -1.9588E+01  6.0013E+00
  8.7117E+00 -1.7549E+01  1.0274E+01
  7.0180E+02 -1.8777E+03  1.4605E+03
HC            5622    1.008000    0.040000
  9.4480E+00 -1.9434E+01  7.7504E+00
 -8.6092E+00 -1.3007E+00  1.4307E+00
 -1.0723E+03 -6.8601E+02 -1.5359E+03
CT            5623   12.011000    0.145000
  4.4707E+00 -2.4954E+00  1.5950E+01
  1.4740E+00 -1.1688E+00 -1.7231E+00
  1.7543E+03 -1.3140E+03 -2.1416E+03
OH            5624    0.000000   -0.683000
  5.4749E+00 -1.5273E+00  1.6157E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5625    1.008000    0.418000
  5.4503E+00 -1.4028E+00  1.7093E+01
 -6.3675E+00  9.5593E+00 -1.2950E+00
  6.4939E+02  3.1720E+03 -4.5658E+02
HC            5626    1.008000    0.040000
  3.4043E+00 -2.2700E+00  1.5966E+01
 -5.7550E+00 -3.0531E+01 -9.2909E+00
  2.1701E+03  2.7139E+03  2.3274E+03
HC            5627    1.008000    0.040000
  4.6159E+00 -3.3205E+00  1.6648E+01
 -1.0874E+01 -5.3432E+00 -3.8391E+00
 -7.7274E+02  8.8993E+01  5.0605E+01
HC            5628    1.008000    0.040000
  4.4520E+00 -2.9225E+00  1.4948E+01
 -1.4333E+01  1.1621E+01 -7.3210E+00
  2.3133E+03  6.9122E+02 -4.1026E+00
CT            5629   12.011000    0.145000
  7.0366E+00 -1.4521E+01 -1.1341E+01
  1.1275E+00 -1.7863E+00 -1.6976E+00
  2.8410E+03 -4.5863E+02 -5.4126E+03
OH            5630    0.000000   -0.683000
  5.7943E+00 -1.4687E+01 -1.1987E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5631    1.008000    0.418000
  5.5963E+00 -1.3943E+01 -1.2534E+01
  5.8405E+00  8.0136E+00  8.4715E+00
  3.1566E+03  1.7650E+03  1.3057E+03
HC            5632    1.008000    0.040000
  7.2519E+00 -1.5440E+01 -1.0795E+01
 -1.7047E+01 -4.5101E+00  1.5271E+00
  2.3075E+02  2.3197E+03  2.8483E+03
HC            5633    1.008000    0.040000
  6.9071E+00 -1.3558E+01 -1.0847E+01
  1.2573E+01  2.0497E+00 -5.8486E+00
  4.7398E+03 -6.0628E+02  1.7264E+03
HC            5634    1.008000    0.040000
  7.7059E+00 -1.4509E+01 -1.2201E+01
 -3.1809E+00  3.9333E+00 -5.0398E+00
  1.9807E+03  3.0504E+03  1.0287E+03
CT            5635   12.011000    0.145000
 -1.9730E+01  9.0735E+00  9.1042E-01
 -8.8909E-01 -1.0958E+00 -4.0754E-01
  3.4681E+03 -6.5636E+03 -1.7969E+03
OH            5636    0.000000   -0.683000
 -1.9825E+01  8.6532E+00  2.2530E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5637    1.008000    0.418000
 -2.0442E+01  7.9375E+00  2.2760E+00
 -1.4969E+01  1.2534E+01  7.9359E+00
  5.1606E+02  2.0969E+02  2.6009E+01
HC            5638    1.008000    0.040000
 -1.9245E+01  1.0045E+01  8.1468E-01
 -4.5926E+00 -6.0476E-01 -1.7299E+01
 -7.9676E+02 -3.5894E+02 -1.8394E+03
HC            5639    1.008000    0.040000
  2.0296E+01  8.9091E+00  2.7995E-01
  5.6143E+00  2.2818E-01 -9.9818E+00
 -9.9074E+02  3.0149E+03  1.0591E+03
HC            5640    1.008000    0.040000
 -1.9029E+01  8.2965E+00  6.0472E-01
  3.4583E+01  1.7725E+01  2.5581E+01
  1.3852E+03  3.7003E+03 -1.7676E+03
CT            5641   12.011000    0.145000
  6.7994E+00 -2.4917E+00 -1.1161E+01
 -2.9436E+00 -1.4692E+00 -3.6494E+00
  1.5094E+03  1.5774E+03  3.3950E+03
OH            5642    0.000000   -0.683000
  6.3363E+00 -3.5513E+00 -1.0354E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5643    1.008000    0.418000
  7.0952E+00 -4.0925E+00 -1.0199E+01
  6.7825E+00  6.4050E+00 -9.6577E+00
  1.4806E+03  2.6532E+03  1.1235E+03
HC            5644    1.008000    0.040000
  6.1486E+00 -1.6901E+00 -1.1510E+01
  1.6201E+01  7.3742E+00 -2.1185E+01
 -2.8798E+03 -3.4170E+03  1.2531E+03
HC            5645    1.008000    0.040000
  7.3458E+00 -2.6306E+00 -1.2094E+01
 -3.3266E+01 -1.4195E+00 -2.2796E+01
 -1.3598E+03 -5.3615E+03  1.6110E+03
HC            5646    1.008000    0.040000
  7.4996E+00 -1.9028E+00 -1.0568E+01
  2.7744E+00 -1.8541E+01  7.3092E+00
  2.3862E+02 -1.8969E+03  1.7386E+03
CT            5647   12.011000    0.145000
  3.5300E+00 -1.8076E+01  8.3718E+00
 -7.3835E-01 -5.1391E+00 -7.4862E+00
 -8.6234E+02  3.7202E+02  7.1667E+03
OH            5648    0.000000   -0.683000
  2.1387E+00 -1.7848E+01  8.3635E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5649    1.008000    0.418000
  1.7320E+00 -1.8673E+01  8.5807E+00
 -1.0995E+01  2.1490E+00 -1.1264E+01
  8.4643E+02  5.9334E+02  2.0477E+03
HC            5650    1.008000    0.040000
  4.2040E+00 -1.7233E+01  8.2216E+00
  2.7529E+00 -3.4777E+00  1.4256E+01
 -1.9840E+03 -1.9123E+02 -3.2740E+03
HC            5651    1.008000    0.040000
  3.7975E+00 -1.9033E+01  7.9245E+00
 -2.5555E+01 -3.9082E+00 -2.7206E+01
 -1.1776E+02  1.7527E+03 -1.1548E+03
HC            5652    1.008000    0.040000
  3.7141E+00 -1.8089E+01  9.4461E+00
 -7.0985E+00  1.4092E+01 -5.7818E+00
  1.1250E+02 -2.1544E+03 -1.8424E+01
CT            5653   12.011000    0.145000
  9.1907E+00  1.8897E+01  1.3389E+01
  4.1385E+00  3.2234E+00  1.4588E+00
  2.2094E+03  1.4539E+03 -7.9645E+02
OH            5654    0.000000   -0.683000
  8.4440E+00  2.0026E+01  1.2993E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5655    1.008000    0.418000
  9.0695E+00 -2.0333E+01  1.2536E+01
  1.5760E+01 -9.1661E-01  1.9133E+01
  5.1628E+01  1.4615E+03  2.7441E+03
HC            5656    1.008000    0.040000
  8.7855E+00  1.7894E+01  1.3256E+01
  1.6722E+01  7.5446E-02 -1.6992E+01
 -2.5314E+03  1.9105E+03 -7.1253E+01
HC            5657    1.008000    0.040000
  9.4898E+00  1.9041E+01  1.4427E+01
  1.6116E+01  1.8136E+00 -1.6466E+00
  3.7597E+02 -9.0645E+02 -1.1646E+02
HC            5658    1.008000    0.040000
  1.0084E+01  1.8800E+01  1.2772E+01
 -1.5004E+00 -8.8352E+00 -5.1747E+00
  3.3593E+02  8.3496E+02  4.8850E+02
CT            5659   12.011000    0.145000
 -3.0627E+00 -3.1699E+00 -1.5704E+01
  3.5368E-01  1.6766E+00  8.2296E-01
 -3.0846E+02  7.1150E+02  5.2935E+02
OH            5660    0.000000   -0.683000
 -2.6817E+00 -3.8337E+00 -1.4520E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5661    1.008000    0.418000
 -2.0212E+00 -4.4167E+00 -1.4861E+01
  5.4136E+00  7.5128E+00 -2.6249E+00
 -1.2072E+03 -2.3374E+03  2.3524E+03
HC            5662    1.008000    0.040000
 -2.1655E+00 -2.7522E+00 -1.6160E+01
  1.3847E+00  1.1936E+01  1.1735E+01
  1.5660E+02 -9.6532E+02  5.6776E+01
HC            5663    1.008000    0.040000
 -3.7260E+00 -2.3055E+00 -1.5737E+01
 -8.8497E-01  4.4503E-01 -2.1123E+01
  3.2348E+02 -5.8644E+02  4.7666E+03
HC            5664    1.008000    0.040000
 -3.6077E+00 -3.7470E+00 -1.6451E+01
 -8.7870E+00  1.3326E+01 -1.8111E+00
  1.6617E+03 -2.5335E+03  1.4158E+03
CT            5665   12.011000    0.145000
 -6.9874E+00  1.5061E+01 -1.2747E+01
 -2.1166E+00 -1.8930E+00  1.9871E+00
  2.6829E+03  4.0893E+03  1.1500E+03
OH            5666    0.000000   -0.683000
 -8.0610E+00  1.5909E+01 -1.3089E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5667    1.008000    0.418000
 -8.7724E+00  1.5305E+01 -1.2939E+01
 -1.0743E+00  2.1775E+00  3.8081E+00
 -1.5228E+03  1.5535E+03 -1.1715E+03
HC            5668    1.008000    0.040000
 -7.2774E+00  1.4207E+01 -1.2135E+01
 -3.7498E+00  3.5780E+00  8.9887E+00
 -5.4466E+03 -7.4836E+02 -4.6272E+03
HC            5669    1.008000    0.040000
 -6.3632E+00  1.5550E+01 -1.1999E+01
 -4.7172E+00  1.3816E+01 -5.6806E+00
  8.8352E+02  2.3573E+03 -1.9668E+03
HC            5670    1.008000    0.040000
 -6.3353E+00  1.4809E+01 -1.3583E+01
  1.2142E+01  2.2853E+01  4.6663E+00
 -1.4733E+03 -1.5232E+02  9.4772E+01
CT            5671   12.011000    0.145000
  6.8813E-01  1.3958E+01  8.4143E+00
  3.3165E-01  1.8010E-02 -5.5511E-01
 -1.5798E+03 -7.0202E+01  4.1346E+03
OH            5672    0.000000   -0.683000
  8.0615E-01  1.2553E+01  8.4402E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5673    1.008000    0.418000
  1.7258E+00  1.2419E+01  8.6111E+00
  2.5806E+00  7.4869E+00 -7.3241E+00
  3.1163E+02 -4.3077E+02 -2.4151E+03
HC            5674    1.008000    0.040000
 -3.6067E-01  1.4139E+01  8.6497E+00
 -3.3219E+00 -1.3923E+01 -5.1491E+00
 -6.8853E+02  6.5051E+02 -3.5657E+03
HC            5675    1.008000    0.040000
  1.0920E+00  1.4496E+01  7.5565E+00
  7.7297E+00 -1.3957E+01 -6.1595E+00
 -1.4422E+03 -2.7948E+03 -1.8480E+03
HC            5676    1.008000    0.040000
  1.1731E+00  1.4533E+01  9.2034E+00
  2.0335E+01 -1.4373E+01 -1.5951E+00
  1.7828E+03 -4.0403E+03  1.7573E+03
CT            5677   12.011000    0.145000
 -1.1490E+01  1.0406E+00 -1.1158E+01
  2.6437E-01  2.6243E-01  3.7522E+00
 -4.3471E+03 -4.5141E+03  5.9117E+02
OH            5678    0.000000   -0.683000
 -1.0495E+01  4.1994E-02 -1.1162E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5679    1.008000    0.418000
 -9.8586E+00  3.1834E-01 -1.0520E+01
 -1.0088E+01  1.3469E+01  4.6802E+00
  6.3921E+02 -1.0589E+03 -8.1645E+02
HC            5680    1.008000    0.040000
 -1.1244E+01  1.8911E+00 -1.1794E+01
 -2.0096E+01  4.9589E+00  1.4590E+00
 -5.9038E+02  1.6622E+03  3.4007E+03
HC            5681    1.008000    0.040000
 -1.1707E+01  1.1587E+00 -1.0096E+01
  6.8006E+00  1.4905E+01  3.6971E+00
  2.5749E+02  5.1394E+03 -4.1980E+02
HC            5682    1.008000    0.040000
 -1.2372E+01  5.3135E-01 -1.1547E+01
  1.2105E+00 -5.3064E+00  8.7479E+00
 -4.6598E+02  1.5649E+03 -1.8679E+03
CT            5683   12.011000    0.145000
 -1.3656E+01 -1.0090E+01 -1.1288E+01
  6.6308E+00 -5.3513E+00 -1.7359E+00
  3.3205E+03 -2.0256E+03  3.9024E+02
OH            5684    0.000000   -0.683000
 -1.2765E+01 -9.0002E+00 -1.1203E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5685    1.008000    0.418000
 -1.3374E+01 -8.3067E+00 -1.0998E+01
 -8.8352E+00  3.7436E+00 -3.3134E+01
  4.1924E+03  2.1780E+02  2.9755E+03
HC            5686    1.008000    0.040000
 -1.4662E+01 -9.6706E+00 -1.1306E+01
  3.1104E+00 -1.1542E+01  2.0335E+01
 -2.0254E+02 -2.4876E+03  3.7400E+01
HC            5687    1.008000    0.040000
 -1.3523E+01 -1.0798E+01 -1.0469E+01
  5.5101E+00 -5.2085E+00 -1.4296E+00
 -1.6108E+03  2.0858E+03  2.2680E+03
HC            5688    1.008000    0.040000
 -1.3430E+01 -1.0751E+01 -1.2124E+01
  6.5895E+00  9.7223E-01 -6.8223E+00
 -5.5130E+02  1.3994E+03 -1.4226E+03
CT            5689   12.011000    0.145000
  1.5646E+01 -1.0760E+01  1.8134E+01
  2.6064E+00 -3.0751E+00 -3.5910E+00
 -2.1042E+03  2.5790E+03  2.5248E+03
OH            5690    0.000000   -0.683000
  1.5819E+01 -9.6334E+00  1.7303E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5691    1.008000    0.418000
  1.5427E+01 -8.9342E+00  1.7803E+01
  6.6312E-01 -1.2583E+01  1.9179E+01
  2.4341E+03  1.1207E+03 -1.0018E+03
HC            5692    1.008000    0.040000
  1.5749E+01 -1.1694E+01  1.7583E+01
  1.6222E+01 -1.2386E+00 -4.5260E+00
  1.9039E+03  8.4243E+02 -3.1679E+02
HC            5693    1.008000    0.040000
  1.4637E+01 -1.0672E+01  1.8535E+01
  9.0080E+00 -3.6732E+00  1.3493E+01
  3.2135E+02 -1.0652E+03  1.0829E+03
HC            5694    1.008000    0.040000
  1.6335E+01 -1.0658E+01  1.8973E+01
 -3.5790E+00 -4.3505E+00  1.7267E+00
 -1.8520E+02 -1.8874E+03  3.9853E+02
CT            5695   12.011000    0.145000
  2.0256E+01  2.0136E+01 -5.8518E+00
 -1.1219E+00 -5.3084E-01 -8.9416E-01
 -4.6955E+02 -3.9184E+03 -1.4491E+03
OH            5696    0.000000   -0.683000
 -1.9886E+01 -2.0436E+01 -6.9947E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5697    1.008000    0.418000
 -2.0237E+01 -1.9634E+01 -7.3513E+00
 -6.7777E+00 -7.8132E+00 -1.1579E+01
 -2.1250E+03 -8.3201E+02  8.0209E+02
HC            5698    1.008000    0.040000
  1.9849E+01  1.9145E+01 -6.0506E+00
  4.8543E+00 -1.1750E+00 -1.0582E+01
 -9.2282E+02  1.7457E+02 -1.9301E+01
HC            5699    1.008000    0.040000
  1.9425E+01 -2.0076E+01 -5.6937E+00
  7.3678E-01 -3.3368E+00  2.5588E+01
  1.2348E+03 -8.1637E+01  2.8681E+03
HC            5700    1.008000    0.040000
 -1.9959E+01  2.0015E+01 -5.0121E+00
 -1.1164E+00  2.0129E+01  2.6004E+00
 -1.4805E+03  2.7265E+03  1.2584E+03
CT            5701   12.011000    0.145000
 -6.6338E+00  1.7266E+01  1.6802E+01
 -4.0029E+00  3.4103E+00 -9.4982E+00
 -3.6914E+03 -5.9405E+02 -1.1286E+03
OH            5702    0.000000   -0.683000
 -6.6363E+00  1.5935E+01  1.6337E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5703    1.008000    0.418000
 -5.8274E+00  1.5665E+01  1.5930E+01
 -3.0128E+00 -8.7479E+00 -4.0130E-01
  8.9700E+02  5.7220E+03 -1.1129E+03
HC            5704    1.008000    0.040000
 -5.6959E+00  1.7511E+01  1.7300E+01
 -4.7419E+00  1.1459E+01 -1.1909E+01
 -4.5237E+02  2.1009E+03 -8.8995E+02
HC            5705    1.008000    0.040000
 -7.4469E+00  1.7278E+01  1.7527E+01
  5.9835E+00 -1.5197E+01  2.8070E+00
  7.9893E+02  1.4168E+03  2.1716E+02
HC            5706    1.008000    0.040000
 -6.8595E+00  1.7933E+01  1.5969E+01
  1.1602E+01  2.4480E+01  2.1607E+00
  2.1459E+03  1.6683E+03  1.2073E+03
CT            5707   12.011000    0.145000
 -8.1044E+00 -1.5987E+01  9.9617E+00
  1.7438E+00 -5.8106E+00 -1.0388E+01
 -3.6235E+03 -2.6486E+03  3.3184E+03
OH            5708    0.000000   -0.683000
 -7.3043E+00 -1.6931E+01  1.0638E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5709    1.008000    0.418000
 -6.3948E+00 -1.6762E+01  1.0444E+01
  2.4139E+00  8.9187E+00  1.7154E+01
 -3.3124E+02 -1.3801E+03 -3.6091E+02
HC            5710    1.008000    0.040000
 -7.7043E+00 -1.5009E+01  1.0232E+01
  1.1064E+01 -1.4744E+01  1.0341E+01
 -1.4906E+03  1.5056E+02 -2.7651E+03
HC            5711    1.008000    0.040000
 -9.0908E+00 -1.6084E+01  1.0415E+01
  3.8057E+00  1.7217E+01  4.5742E-01
  8.2155E+02  1.9824E+03  2.3713E+03
HC            5712    1.008000    0.040000
 -8.4414E+00 -1.6185E+01  8.9442E+00
  4.8230E+00 -2.5165E+01 -8.0274E+00
  4.7685E+03  4.2280E+02 -1.0863E+03
CT            5713   12.011000    0.145000
  6.7184E+00  1.9246E+01  7.0098E+00
 -3.3947E+00  1.6923E+00  6.3762E-01
  7.6217E+03 -3.2105E+03 -1.0993E+03
OH            5714    0.000000   -0.683000
  7.0502E+00  2.0253E+01  6.0802E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5715    1.008000    0.418000
  6.2793E+00 -2.0117E+01  5.9479E+00
 -7.1774E+00 -1.0341E+01 -8.3379E-01
 -1.6674E+03 -2.4234E+03  2.3057E+02
HC            5716    1.008000    0.040000
  6.2418E+00  1.9518E+01  7.9514E+00
  1.8054E+01 -2.0782E+01  1.9398E+01
 -1.5074E+03 -2.3827E+03 -2.1643E+03
HC            5717    1.008000    0.040000
  7.6931E+00  1.8874E+01  7.3258E+00
 -3.2734E+00  6.8612E-01 -9.0978E-01
  6.0986E+02  2.2225E+03  2.7441E+03
HC            5718    1.008000    0.040000
  6.4903E+00  1.8282E+01  6.5544E+00
 -2.0563E+01  4.4111E+00  2.8092E+00
 -5.8616E+03  1.0599E+03  2.0468E+02
CT            5719   12.011000    0.145000
 -1.7689E+00 -1.9155E+01 -3.1676E+00
 -5.0842E+00  7.8205E+00 -5.8660E+00
  2.3870E+03  2.4971E+03 -6.1804E+02
OH            5720    0.000000   -0.683000
 -1.7606E+00 -1.8316E+01 -2.0348E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5721    1.008000    0.418000
 -1.0469E+00 -1.7698E+01 -2.0732E+00
 -3.5745E-01  7.0006E-01  4.1513E+00
  1.8421E+03 -2.4155E+03 -2.2393E+03
HC            5722    1.008000    0.040000
 -8.3734E-01 -1.8907E+01 -3.6762E+00
  4.1434E+00 -3.4773E+00  4.8792E+00
 -9.0558E+02 -1.4366E+03 -2.0921E+03
HC            5723    1.008000    0.040000
 -2.6719E+00 -1.8980E+01 -3.7523E+00
  3.7406E-01 -1.4122E+01 -2.2214E+01
  1.3449E+03  3.1513E+02 -5.1981E+02
HC            5724    1.008000    0.040000
 -1.7318E+00 -2.0176E+01 -2.7858E+00
 -9.3077E+00  7.1245E+00 -7.2624E+00
 -2.6730E+02 -7.3801E+02 -2.5668E+03
CT            5725   12.011000    0.145000
  5.0194E+00 -2.6846E+00 -1.6988E+01
  2.1361E+00  3.7337E+00 -3.7699E-01
 -8.1544E+02 -4.0247E+03  1.0291E+03
OH            5726    0.000000   -0.683000
  5.6819E+00 -3.1838E+00 -1.8128E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5727    1.008000    0.418000
  5.6635E+00 -4.1116E+00 -1.7950E+01
 -1.2476E+01 -4.8633E-01 -2.8889E+00
 -2.9277E+02 -5.3315E+01 -1.0938E+03
HC            5728    1.008000    0.040000
  5.6450E+00 -3.1657E+00 -1.6236E+01
  1.0863E+01  1.0047E+01 -3.4328E+00
 -1.5107E+03  2.8775E+03  3.1110E+03
HC            5729    1.008000    0.040000
  4.0302E+00 -3.1075E+00 -1.6813E+01
  1.2154E+01 -1.9350E+01  4.1831E+00
  4.2158E+02 -6.9219E+02 -1.6843E+03
HC            5730    1.008000    0.040000
  4.9660E+00 -1.5999E+00 -1.6895E+01
  1.8483E+01  6.7860E+00 -1.9640E+01
  2.6000E+03 -3.7621E+02 -1.7695E+03
CT            5731   12.011000    0.145000
 -9.3711E+00 -8.3867E+00 -1.6888E+01
 -4.6645E+00  4.0638E+00 -1.2854E+00
  1.8422E+03 -2.6896E+03  1.9501E+02
OH            5732    0.000000   -0.683000
 -9.0760E+00 -8.4926E+00 -1.8262E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5733    1.008000    0.418000
 -9.8442E+00 -8.2818E+00 -1.8771E+01
 -7.5522E+00 -1.7733E+01  3.3098E+00
  6.5781E+02  8.0719E+02  2.4810E+02
HC            5734    1.008000    0.040000
 -9.6150E+00 -7.3725E+00 -1.6571E+01
 -1.3501E+01  1.1077E+00  1.6826E+00
 -9.7900E+02 -4.4039E+02 -3.6298E+02
HC            5735    1.008000    0.040000
 -8.4828E+00 -8.6506E+00 -1.6314E+01
  1.4624E-02  1.5795E+01 -2.8510E+00
  5.8496E+02  3.1361E+02 -6.2419E+02
HC            5736    1.008000    0.040000
 -1.0106E+01 -9.1640E+00 -1.6679E+01
 -1.8274E+00  1.0792E+00 -2.3215E+00
 -1.8304E+03  2.2004E+03  1.5776E+03
CT            5737   12.011000    0.145000
  2.5862E+00 -6.1985E+00 -7.6368E+00
 -2.1056E-02 -4.2576E+00 -7.0827E-01
 -1.6960E+03 -4.5874E+03  1.4135E+03
OH            5738    0.000000   -0.683000
  3.6579E+00 -6.3498E+00 -6.7330E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5739    1.008000    0.418000
  4.1975E+00 -5.5819E+00 -6.8431E+00
  1.1367E+01 -8.2616E+00 -3.8277E+00
 -5.3509E+02  1.7498E+02  9.6850E+02
HC            5740    1.008000    0.040000
  1.8528E+00 -5.5659E+00 -7.1369E+00
  5.5020E+00 -7.7841E+00  1.2281E+01
 -8.1540E+02 -5.2125E+02 -1.3070E+03
HC            5741    1.008000    0.040000
  2.3046E+00 -7.2499E+00 -7.6956E+00
  2.5848E+01 -1.1780E+01 -2.5061E+00
 -2.4905E+03  1.3012E+03 -1.1101E+03
HC            5742    1.008000    0.040000
  2.8569E+00 -5.8218E+00 -8.6232E+00
  3.5974E+00  1.7072E+01  7.8814E+00
  3.8718E+02  2.6197E+02  9.7392E+02
CT            5743   12.011000    0.145000
  1.6048E+01 -1.4248E+01  1.8808E+01
 -1.2283E+00 -1.7257E-01  6.9561E+00
 -2.5948E+03 -2.6846E+03  8.3401E+03
OH            5744    0.000000   -0.683000
  1.7248E+01 -1.4964E+01  1.8995E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5745    1.008000    0.418000
  1.7097E+01 -1.5804E+01  1.8590E+01
  8.3532E-01 -8.6824E-01  1.4792E+00
 -2.1854E+02  8.0975E+01 -7.3888E+01
HC            5746    1.008000    0.040000
  1.5852E+01 -1.3783E+01  1.7842E+01
  3.4778E-01 -1.1689E+01  9.1792E-01
  6.2679E+02 -4.6981E+03 -1.6682E+03
HC            5747    1.008000    0.040000
  1.5869E+01 -1.3485E+01  1.9566E+01
  3.6766E+01  1.0613E+01  7.1125E+00
  3.2878E+03  2.1766E+02 -3.0260E+02
HC            5748    1.008000    0.040000
  1.5322E+01 -1.5032E+01  1.9026E+01
 -1.3456E+01 -4.8595E+00 -3.9923E+01
 -1.6831E+03  1.7337E+03 -4.0894E+03
CT            5749   12.011000    0.145000
 -1.5745E+01 -5.4021E+00  5.4091E+00
 -6.5670E-01  3.3877E+00 -3.6101E-01
 -2.1038E+02  2.5766E+03  8.2774E+02
OH            5750    0.000000   -0.683000
 -1.7062E+01 -5.6126E+00  5.8639E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5751    1.008000    0.418000
 -1.7094E+01 -5.3614E+00  6.7744E+00
 -2.2048E+01 -1.7627E+01  5.0074E+00
 -8.0079E+02 -1.7495E+03 -2.5521E+02
HC            5752    1.008000    0.040000
 -1.5450E+01 -4.4155E+00  5.7668E+00
 -1.1705E+01 -5.6448E-01  2.1334E+01
 -9.9221E+02  2.4234E+02 -1.0884E+03
HC            5753    1.008000    0.040000
 -1.5595E+01 -5.4468E+00  4.3303E+00
  1.7703E+01  7.3060E+00  1.6919E+00
 -1.2324E+03 -3.3281E+02  3.4890E+02
HC            5754    1.008000    0.040000
 -1.4945E+01 -6.0099E+00  5.8327E+00
  4.4072E+00  7.6904E+00 -3.6142E+00
 -2.0977E+03 -1.7495E+03  8.0140E+02
CT            5755   12.011000    0.145000
 -1.6969E+01  2.0313E+01 -8.2752E+00
  3.1289E+00 -3.7087E+00  2.1429E+00
 -1.6664E+01 -1.1937E+02  5.0740E+03
OH            5756    0.000000   -0.683000
 -1.5921E+01 -1.9647E+01 -8.1912E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5757    1.008000    0.418000
 -1.6341E+01 -1.8889E+01 -7.8143E+00
  2.1863E+01 -4.5455E-02  2.7741E+01
  2.5934E+03  6.8152E+02 -1.8054E+03
HC            5758    1.008000    0.040000
 -1.6988E+01  1.9333E+01 -8.7537E+00
 -1.6554E+01 -1.5089E+00 -2.4486E+00
  4.5202E+03  1.7359E+03 -1.7082E+03
HC            5759    1.008000    0.040000
 -1.7929E+01 -2.0152E+01 -8.5517E+00
  6.2783E+00 -1.5010E+00 -5.5816E+00
  1.4083E+03  1.7289E+03 -1.7493E+03
HC            5760    1.008000    0.040000
 -1.7063E+01  2.0058E+01 -7.2196E+00
 -9.1318E-03 -1.1751E-01  2.7487E+00
 -1.4736E+03 -4.5231E+02  1.7148E+02
CT            5761   12.011000    0.145000
  4.5606E+00  1.3864E+01 -8.4297E+00
  3.0035E+00  3.3135E+00  9.4513E+00
 -2.5172E+03  1.4178E+03  3.6971E+03
OH            5762    0.000000   -0.683000
  4.2708E+00  1.5190E+01 -8.8139E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5763    1.008000    0.418000
  3.3874E+00  1.5358E+01 -8.5238E+00
 -9.9655E+00 -1.3725E+01 -1.9995E+01
  6.2499E+02 -6.7444E+02 -4.4077E+01
HC            5764    1.008000    0.040000
  3.6183E+00  1.3318E+01 -8.4750E+00
  1.3052E+01 -1.4040E+01 -2.4022E+01
  1.8239E+03 -1.5203E+03 -3.7888E+03
HC            5765    1.008000    0.040000
  4.8814E+00  1.3658E+01 -7.4087E+00
  2.6315E+01 -2.1208E+01 -1.5926E+00
  1.6418E+03  2.4270E+03 -1.0689E+03
HC            5766    1.008000    0.040000
  5.3010E+00  1.3490E+01 -9.1367E+00
 -1.8463E+01  9.2673E+00 -1.7950E+01
 -1.7357E+03 -1.9721E+03  1.7279E+03
CT            5767   12.011000    0.145000
  1.5637E+01 -1.7027E+01  2.0689E+00
 -1.5916E-02  9.4095E-01  4.1742E+00
  1.3217E+02 -1.9763E+03  1.6637E+03
OH            5768    0.000000   -0.683000
  1.7047E+01 -1.7032E+01  2.0711E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5769    1.008000    0.418000
  1.7315E+01 -1.6371E+01  2.6911E+00
 -1.5780E+01  1.2878E+01 -6.2011E+00
 -1.3439E+03 -6.2698E+02  5.6556E+02
HC            5770    1.008000    0.040000
  1.5292E+01 -1.7843E+01  1.4348E+00
 -8.2189E+00  1.1778E+01 -5.7556E+00
 -1.5202E+03  1.8660E+03 -1.4829E+03
HC            5771    1.008000    0.040000
  1.5405E+01 -1.6021E+01  1.7180E+00
 -7.4821E+00 -5.5433E+00 -1.0339E+01
 -3.8845E+03 -1.2844E+03  6.8171E+01
HC            5772    1.008000    0.040000
  1.5339E+01 -1.7296E+01  3.0821E+00
  2.4163E-01  9.2603E+00  6.5366E+00
 -1.3154E+01  1.9057E+03  6.7300E+02
CT            5773   12.011000    0.145000
 -2.0418E+00 -6.2060E+00 -6.0991E+00
  2.0833E+00 -2.3911E+00 -4.1013E+00
 -8.3032E+01  4.2927E+03  2.0437E+03
OH            5774    0.000000   -0.683000
 -8.6624E-01 -6.4427E+00 -5.3574E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5775    1.008000    0.418000
 -8.8916E-01 -5.7874E+00 -4.6769E+00
 -1.9479E+01  4.4587E+00 -4.3339E+00
  1.8346E+03  4.5922E+02 -1.1816E+03
HC            5776    1.008000    0.040000
 -2.1994E+00 -5.1286E+00 -6.1502E+00
 -2.5657E+01 -5.8083E+00 -5.9646E+00
 -1.4077E+02 -4.5608E+02 -1.7721E+03
HC            5777    1.008000    0.040000
 -2.8591E+00 -6.5516E+00 -5.4661E+00
  1.6469E+00 -1.4308E+01 -1.0874E+01
 -7.2189E+02 -1.7745E+03 -1.9918E+03
HC            5778    1.008000    0.040000
 -1.9547E+00 -6.6587E+00 -7.0868E+00
  1.2680E+01 -1.8406E+01  3.7381E+00
 -1.8887E+03 -6.0792E+02  8.9329E+02
CT            5779   12.011000    0.145000
 -5.7679E+00 -6.6424E+00 -7.3699E+00
 -1.3562E+00  4.8363E+00 -2.9984E-01
  5.0142E+03 -1.1927E+03 -1.1876E+03
OH            5780    0.000000   -0.683000
 -5.3350E+00 -6.4440E+00 -6.0427E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5781    1.008000    0.418000
 -5.2125E+00 -5.5460E+00 -5.7752E+00
  1.8572E+01 -1.0318E+00 -3.6996E+00
  1.9243E+03  5.1080E+02 -3.3505E+03
HC            5782    1.008000    0.040000
 -6.0712E+00 -7.6752E+00 -7.5413E+00
 -3.9613E+00  3.7107E+00  1.0378E+01
 -3.9427E+03  9.0194E+02  1.8514E+03
HC            5783    1.008000    0.040000
 -4.8573E+00 -6.6823E+00 -7.9678E+00
  1.8944E+01  2.1986E+01  2.7044E+01
 -5.3105E+02  4.4657E+03  2.1692E+02
HC            5784    1.008000    0.040000
 -6.4587E+00 -5.8638E+00 -7.6932E+00
  8.1275E+00  9.9894E+00 -8.7354E+00
 -1.7759E+02 -1.4061E+03 -1.3347E+03
CT            5785   12.011000    0.145000
  3.1153E-01 -9.1955E+00 -9.2701E+00
  5.2072E+00 -1.1921E+00  3.0164E+00
 -1.5733E+03  2.3404E+01  6.3262E+02
OH            5786    0.000000   -0.683000
 -1.1349E-02 -1.0568E+01 -9.2676E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5787    1.008000    0.418000
 -4.9222E-01 -1.0683E+01 -8.4623E+00
  2.5578E+01 -6.3441E+00  1.5528E+01
 -1.0182E+02 -4.6137E+02 -1.4099E+03
HC            5788    1.008000    0.040000
  1.0748E+00 -8.8361E+00 -9.9603E+00
  2.4793E+00  1.6886E+01  8.8773E+00
  3.8897E+02 -2.2717E+03  2.3957E+02
HC            5789    1.008000    0.040000
  5.7947E-01 -8.8431E+00 -8.2740E+00
 -1.7274E+00  4.0317E+00  3.1097E+00
  7.3041E+02 -8.9692E+02  1.6795E+01
HC            5790    1.008000    0.040000
 -5.7784E-01 -8.6304E+00 -9.5491E+00
 -4.3073E-01 -1.7871E+01 -1.5076E+01
 -1.4262E+02 -1.0798E+03 -9.0220E+01
CT            5791   12.011000    0.145000
 -1.6273E+00  2.9198E+00  1.8986E+01
 -1.2440E+00  7.9218E+00  1.6730E+00
  2.1394E+03 -1.1687E+03 -5.9303E+01
OH            5792    0.000000   -0.683000
 -1.0753E+00  3.2623E+00  1.7734E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5793    1.008000    0.418000
 -1.4325E-01  3.1067E+00  1.7747E+01
  1.7963E+00  9.3229E+00  1.9040E+01
 -6.9480E+02 -1.7652E+03  2.7501E+03
HC            5794    1.008000    0.040000
 -7.6819E-01  2.8413E+00  1.9652E+01
 -7.2865E+00 -1.7196E+01  7.5560E+00
 -2.0087E+03 -7.1189E+01  1.8750E+03
HC            5795    1.008000    0.040000
 -2.0796E+00  1.9310E+00  1.8910E+01
  5.0993E+00  4.8217E+00  3.5640E+00
  7.0379E+02 -3.6462E+02  7.8450E+02
HC            5796    1.008000    0.040000
 -2.3976E+00  3.6133E+00  1.9323E+01
 -5.7517E+00  6.5230E-01  6.6130E+00
  9.4052E+02  3.4516E+02  4.7326E+02
CT            5797   12.011000    0.145000
  2.4042E+00  1.8331E+01 -7.7610E+00
 -2.0939E+00 -2.3923E-01 -3.8313E+00
 -9.9929E+00 -2.6709E+03  2.1255E+03
OH            5798    0.000000   -0.683000
  1.2116E+00  1.8740E+01 -7.1297E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5799    1.008000    0.418000
  1.3094E+00  1.8605E+01 -6.1996E+00
  7.9890E+00  6.9506E+00  2.8944E-01
 -8.9875E+01 -4.4801E+02 -1.9423E+02
HC            5800    1.008000    0.040000
  3.1657E+00  1.9107E+01 -7.8369E+00
 -1.0596E+00  4.6772E-01  1.0895E+01
 -1.8784E+03  9.5204E+02 -1.8553E+03
HC            5801    1.008000    0.040000
  2.1034E+00  1.7819E+01 -8.6748E+00
 -1.3722E+01  8.1988E+00 -4.9623E+00
  1.3667E+03  2.3794E+03 -1.5124E+03
HC            5802    1.008000    0.040000
  2.9471E+00  1.7570E+01 -7.1999E+00
 -2.3700E+01 -2.7723E+00  1.5124E+01
 -2.6288E+03 -2.0921E+02  1.8410E+03
CT            5803   12.011000    0.145000
  3.9521E+00  1.7725E+01 -1.6947E+01
 -1.3885E+00  2.6917E+00  1.8983E+00
 -1.2895E+03 -1.2406E+02 -9.7512E+02
OH            5804    0.000000   -0.683000
  4.4558E+00  1.8645E+01 -1.7889E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5805    1.008000    0.418000
  3.7802E+00  1.8936E+01 -1.8482E+01
 -1.0212E+00 -5.6312E+00 -1.6613E+00
 -6.4924E+02 -2.3602E+03 -4.3718E+02
HC            5806    1.008000    0.040000
  3.9177E+00  1.6698E+01 -1.7308E+01
  2.2356E+00 -2.1860E+00  1.4854E+01
  1.4307E+02  4.2225E+02 -6.6482E+02
HC            5807    1.008000    0.040000
  2.9152E+00  1.7948E+01 -1.6695E+01
 -8.8118E+00 -2.1380E+01 -4.6622E+00
  1.1163E+03  1.4730E+02  1.6855E+03
HC            5808    1.008000    0.040000
  4.6067E+00  1.7695E+01 -1.6076E+01
 -7.6252E+00 -7.2530E+00  6.4214E+00
 -1.1930E+03 -7.5664E+01  5.9252E+02
CT            5809   12.011000    0.145000
  1.3432E+01 -1.6074E+01 -1.0091E+01
 -1.2213E+00  2.3512E+00 -6.6651E-01
  7.2235E+02 -1.5033E+03 -1.2593E+03
OH            5810    0.000000   -0.683000
  1.2184E+01 -1.6730E+01 -1.0107E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5811    1.008000    0.418000
  1.1596E+01 -1.6072E+01 -9.7676E+00
 -1.7379E+01 -4.7319E+00 -1.8924E+01
 -1.4814E+03 -2.7611E+03  9.4656E+02
HC            5812    1.008000    0.040000
  1.3342E+01 -1.5069E+01 -1.0502E+01
  4.2592E+00  7.6511E-01 -5.8862E+00
 -1.2672E+02 -2.5220E+02 -2.2435E+02
HC            5813    1.008000    0.040000
  1.4177E+01 -1.6583E+01 -1.0702E+01
 -3.8009E+01 -1.5238E+01 -3.5575E+01
 -3.3916E+03 -3.7109E+02 -2.0212E+02
HC            5814    1.008000    0.040000
  1.3847E+01 -1.5990E+01 -9.0866E+00
 -9.8357E+00 -8.4117E+00  4.0093E+00
 -3.6127E+03 -3.4527E+02  1.3502E+03
CT            5815   12.011000    0.145000
  1.1703E+01  5.5710E+00 -1.7728E+01
  4.0142E+00 -1.1140E+00  3.0171E+00
  3.8423E+03 -8.5791E+02 -4.0898E+03
OH            5816    0.000000   -0.683000
  1.1383E+01  4.2008E+00 -1.7817E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5817    1.008000    0.418000
  1.1848E+01  3.8392E+00 -1.7077E+01
 -1.4876E+01 -8.2576E+00  5.7468E+00
  2.4750E+03 -2.6937E+03 -3.5725E+03
HC            5818    1.008000    0.040000
  1.2446E+01  5.8724E+00 -1.8467E+01
  2.1887E+01  8.3685E+00  2.3732E+01
 -1.2957E+03 -1.5098E+03 -1.0857E+03
HC            5819    1.008000    0.040000
  1.2293E+01  5.8320E+00 -1.6850E+01
 -2.0649E+01  1.1676E+01  1.6871E+01
 -3.2386E+03  1.2313E+02  1.3677E+03
HC            5820    1.008000    0.040000
  1.0844E+01  6.2226E+00 -1.7886E+01
  6.4873E+00  2.1870E+00  3.0669E+00
  1.4456E+02  1.4511E+02  1.6786E+03
CT            5821   12.011000    0.145000
 -1.1775E+01  8.4873E+00  1.9053E+00
 -1.8813E+00  2.5191E+00  5.0241E+00
 -5.1377E+02  1.9757E+03  2.3811E+03
OH            5822    0.000000   -0.683000
 -1.0487E+01  8.3356E+00  2.4569E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5823    1.008000    0.418000
 -1.0065E+01  9.1811E+00  2.4579E+00
 -2.1414E+01  1.1399E+01 -3.1829E+00
 -7.8703E+02 -2.2830E+02 -2.6608E+03
HC            5824    1.008000    0.040000
 -1.2395E+01  7.6139E+00  2.1076E+00
  6.6151E+00 -1.4051E+00  1.5043E+01
  9.8376E+02 -4.9157E+02 -3.2576E+02
HC            5825    1.008000    0.040000
 -1.1809E+01  8.7485E+00  8.4756E-01
  1.0165E+01  9.7308E+00  6.2328E+00
  1.8960E+03 -3.6684E+02  1.2979E+02
HC            5826    1.008000    0.040000
 -1.2275E+01  9.3114E+00  2.4152E+00
 -6.9112E+00  3.0849E+00 -6.9836E-01
 -2.1400E+02  1.7811E+02 -8.3574E+01
CT            5827   12.011000    0.145000
  8.2050E+00  2.8587E+00 -5.3030E+00
 -4.3954E-01 -6.7839E+00  2.8520E+00
 -5.0749E+03 -2.9288E+03 -2.6439E+03
OH            5828    0.000000   -0.683000
  8.9436E+00  2.3596E+00 -6.3954E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5829    1.008000    0.418000
  8.4815E+00  1.6411E+00 -6.7994E+00
 -1.1483E+01  1.3840E+01 -1.2676E+01
 -9.7897E+02 -9.5215E+02  4.7560E+03
HC            5830    1.008000    0.040000
  7.1678E+00  2.7452E+00 -5.6184E+00
 -1.0671E+00 -1.8045E+01  8.4655E+00
 -5.3882E+02 -1.3631E+03  8.3792E+02
HC            5831    1.008000    0.040000
  8.2492E+00  3.9250E+00 -5.0815E+00
  3.0315E+01 -3.4806E+00 -1.3644E+01
  4.7403E+03 -1.3161E+03  6.1039E+02
HC            5832    1.008000    0.040000
  8.3947E+00  2.1808E+00 -4.4707E+00
  8.8987E+00  1.5686E+01  2.0094E+01
  6.0397E+02  2.8799E+03  1.5063E+03
CT            5833   12.011000    0.145000
 -3.1615E+00 -2.1967E+00  1.5413E+00
  3.2105E+00  4.4983E+00 -2.4248E-01
 -4.0008E+03 -4.2249E+03  2.7539E+03
OH            5834    0.000000   -0.683000
 -2.1104E+00 -2.9214E+00  2.1396E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5835    1.008000    0.418000
 -1.4910E+00 -2.3089E+00  2.5058E+00
  1.0227E+01 -7.9615E+00 -3.4865E+00
 -2.9436E+02  1.2979E+03 -2.2649E+03
HC            5836    1.008000    0.040000
 -3.5842E+00 -1.4184E+00  2.1767E+00
  1.3707E+01  8.9912E+00  1.4461E+00
  2.3160E+03  2.0491E+03 -9.7457E+02
HC            5837    1.008000    0.040000
 -3.9747E+00 -2.9204E+00  1.5959E+00
 -1.1993E+01  1.9882E+01 -1.1780E+01
 -7.3412E+02  4.3863E+02 -2.7659E+03
HC            5838    1.008000    0.040000
 -3.0420E+00 -1.9303E+00  4.9110E-01
  1.8171E+01 -1.7374E+01 -4.7777E+00
  1.3147E+03  3.1962E+01  1.1720E+03
CT            5839   12.011000    0.145000
 -5.8672E-01  8.2751E+00 -1.1426E+01
 -6.9004E-01 -6.8291E-01  2.7407E+00
  2.9171E+03 -3.3940E+02  5.3841E+03
OH            5840    0.000000   -0.683000
 -8.8715E-01  9.6283E+00 -1.1167E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5841    1.008000    0.418000
 -6.4552E-02  1.0093E+01 -1.1139E+01
 -7.8958E+00  1.5103E+01 -6.5093E+00
 -1.0471E+03  1.3510E+03  1.4089E+02
HC            5842    1.008000    0.040000
  1.6541E-01  8.2185E+00 -1.2213E+01
 -1.1728E+01 -1.2389E+01 -7.4285E+00
 -9.6047E+02 -1.7582E+03 -3.0898E+02
HC            5843    1.008000    0.040000
 -1.3423E+00  7.4915E+00 -1.1482E+01
  1.3294E+01 -1.7627E+01  2.9557E+01
 -3.9012E+02  3.0031E+03 -2.0679E+03
HC            5844    1.008000    0.040000
 -1.1324E-01  8.0067E+00 -1.0481E+01
  2.1172E+01  1.5480E+01 -2.8098E+00
  1.6743E+03 -9.0250E+02 -1.2347E+03
CT            5845   12.011000    0.145000
 -6.7019E+00 -1.3196E+01 -6.9820E+00
  2.9886E+00 -2.3287E+00  3.4357E+00
  1.8294E+03  3.9922E+03  2.0493E+03
OH            5846    0.000000   -0.683000
 -7.7449E+00 -1.3127E+01 -6.0358E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5847    1.008000    0.418000
 -7.8041E+00 -1.4001E+01 -5.6809E+00
 -2.0843E+01 -1.0708E+00 -4.8188E+00
 -1.3412E+03  1.0265E+03  1.2141E+03
HC            5848    1.008000    0.040000
 -5.6879E+00 -1.3135E+01 -6.5867E+00
  5.9685E+00  1.3870E+01 -5.7927E+00
 -1.1712E+03 -2.7141E+03  2.3114E+03
HC            5849    1.008000    0.040000
 -6.6144E+00 -1.2262E+01 -7.5377E+00
 -4.5938E+00 -7.3254E+00 -6.4764E+00
 -2.9346E+03 -8.2705E+02 -2.2623E+03
HC            5850    1.008000    0.040000
 -6.7879E+00 -1.4063E+01 -7.6372E+00
 -5.6683E+00  2.3573E+00 -1.8174E+00
 -7.6599E+02  1.3226E+03 -9.2532E+02
CT            5851   12.011000    0.145000
 -5.4857E+00 -1.3752E+01 -1.3612E+01
  3.3193E+00 -4.9382E+00 -3.2004E+00
  1.1804E+03 -4.4987E+03  4.2811E+03
OH            5852    0.000000   -0.683000
 -4.2610E+00 -1.3172E+01 -1.3222E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5853    1.008000    0.418000
 -4.2970E+00 -1.2380E+01 -1.3736E+01
  5.8617E+00  6.6222E+00  9.4644E+00
  3.9801E+03  2.0556E+03  2.8293E+03
HC            5854    1.008000    0.040000
 -5.4195E+00 -1.4600E+01 -1.2930E+01
  9.3762E+00  1.3632E+01  2.0725E+01
  9.5982E+02  4.4937E+02 -4.7142E+01
HC            5855    1.008000    0.040000
 -5.5507E+00 -1.4089E+01 -1.4646E+01
  1.7307E+01 -3.4258E+00 -4.7651E+00
 -5.2310E+02  1.6176E+03 -2.7790E+01
HC            5856    1.008000    0.040000
 -6.3157E+00 -1.3170E+01 -1.3211E+01
 -4.4730E+00 -5.3307E+00 -1.8079E+01
 -9.9636E+02  1.1181E+03 -4.1633E+03
CT            5857   12.011000    0.145000
 -1.1072E-01 -1.2765E+01 -1.8576E+01
 -4.7930E+00  5.3517E-01 -1.3630E+00
 -2.3851E+03 -3.8388E+02 -2.8340E+03
OH            5858    0.000000   -0.683000
 -3.4027E-01 -1.4125E+01 -1.8285E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5859    1.008000    0.418000
 -6.4139E-01 -1.4023E+01 -1.7395E+01
  1.7756E+01 -1.8825E+00  6.6307E+00
  6.2734E+02 -6.3022E+03  5.4991E+02
HC            5860    1.008000    0.040000
 -1.0825E+00 -1.2274E+01 -1.8518E+01
  6.2507E+00  2.3836E+01 -1.7600E+00
  8.0808E+02  9.7698E+02 -1.1039E+03
HC            5861    1.008000    0.040000
  2.6224E-01 -1.2597E+01 -1.9587E+01
 -1.0408E+01 -2.4347E+01 -8.2390E+00
 -4.5785E+02 -2.0189E+03 -1.5656E+02
HC            5862    1.008000    0.040000
  5.1477E-01 -1.2234E+01 -1.7858E+01
 -6.6002E-01 -2.6458E+01  1.6461E+01
 -5.8045E+00 -2.9023E+03  7.2708E+02
CT            5863   12.011000    0.145000
 -9.3984E+00  9.1306E+00  1.3987E+01
 -2.5484E+00  4.4579E-01  6.6302E+00
 -4.9202E+02 -2.4910E+03 -4.2582E+03
OH            5864    0.000000   -0.683000
 -1.0495E+01  9.8756E+00  1.3507E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5865    1.008000    0.418000
 -1.1074E+01  1.0110E+01  1.4217E+01
 -9.3728E+00  2.6040E+01 -1.4848E+01
 -4.8596E+02 -4.5326E+02 -1.5655E+03
HC            5866    1.008000    0.040000
 -8.7472E+00  9.5082E+00  1.4775E+01
  1.6655E+01 -2.3570E+01  3.4823E+00
 -2.2574E+03 -5.7004E+02  2.3003E+02
HC            5867    1.008000    0.040000
 -8.7167E+00  8.9614E+00  1.3153E+01
  1.4120E+01  3.3984E+01  1.1740E+01
 -2.0139E+02  1.0179E+03  7.8422E+02
HC            5868    1.008000    0.040000
 -9.9692E+00  8.2220E+00  1.4179E+01
 -2.7164E+01  1.2370E+01 -5.4772E+00
  2.5426E+03  3.8462E+02  3.1735E+03
CT            5869   12.011000    0.145000
  8.9373E+00 -1.9593E+01 -1.1734E+00
  6.4105E-01 -4.1061E+00 -8.5964E-01
 -2.7646E+02 -6.7947E+03 -3.8033E+00
OH            5870    0.000000   -0.683000
  9.9109E+00 -1.9650E+01 -1.5502E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5871    1.008000    0.418000
  1.0180E+01 -1.8747E+01 -2.3154E-01
 -9.3320E+00  4.4770E+00  1.5435E+01
  2.9588E+03 -9.0186E+02  3.6385E+03
HC            5872    1.008000    0.040000
  8.6090E+00  2.0290E+01 -1.3861E+00
 -1.6409E+01 -8.4892E-02  4.6399E+00
 -1.0270E+03 -5.5456E+01  3.0479E+02
HC            5873    1.008000    0.040000
  9.3853E+00 -1.9226E+01 -2.0969E+00
  2.3088E+01  4.3337E+00  1.2562E+01
 -9.9320E+01  8.4437E+02  1.2400E+03
HC            5874    1.008000    0.040000
  8.0363E+00 -1.9047E+01 -8.9424E-01
  2.3455E+00  2.4464E+00 -7.8414E+00
  7.9396E+02  8.4054E+02 -3.0178E+02
CT            5875   12.011000    0.145000
  1.6962E+01 -7.5267E+00 -6.5082E+00
 -1.6245E+00 -9.5035E-01  3.4806E+00
 -1.3218E+03 -1.5508E+03  3.7350E+03
OH            5876    0.000000   -0.683000
  1.6125E+01 -8.4569E+00 -7.1575E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5877    1.008000    0.418000
  1.6648E+01 -8.9890E+00 -7.7371E+00
 -1.9309E+01 -8.4401E-01 -1.7857E+01
 -1.6368E+03 -2.0672E+03  1.6263E+03
HC            5878    1.008000    0.040000
  1.7649E+01 -8.0527E+00 -5.8446E+00
  4.7898E+00  2.0541E+01  1.4833E+01
  1.9946E+02  4.2793E+02 -4.9960E+02
HC            5879    1.008000    0.040000
  1.6419E+01 -6.9012E+00 -5.7999E+00
 -1.3048E+00 -1.9878E+01  2.1403E+01
 -1.4007E+03 -1.7221E+03 -1.2613E+02
HC            5880    1.008000    0.040000
  1.7594E+01 -6.8273E+00 -7.0562E+00
  1.1369E+01 -1.8445E+01 -4.8692E+00
 -7.6330E+02 -2.8922E+03 -3.3996E+03
CT            5881   12.011000    0.145000
  2.0045E+01  1.0409E+01 -2.5473E+00
 -2.2606E+00 -2.4801E+00 -9.3465E-01
  9.6155E+02  1.5349E+03 -2.1079E+03
OH            5882    0.000000   -0.683000
 -1.9783E+01  9.5237E+00 -2.7800E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5883    1.008000    0.418000
 -1.9747E+01  9.4010E+00 -3.7163E+00
 -1.7777E+00 -7.8728E+00  8.9351E-01
  1.8846E+02 -1.4956E+03  2.2902E+02
HC            5884    1.008000    0.040000
  1.9526E+01  1.0099E+01 -1.6404E+00
  1.6881E+01  3.3758E+00  1.2667E+01
  1.6798E+03  2.3172E+03  1.0828E+03
HC            5885    1.008000    0.040000
  1.9394E+01  1.0359E+01 -3.4207E+00
 -1.8400E+01 -2.8506E+00  1.0652E+01
 -1.1572E+03  1.2848E+03  9.9275E+02
HC            5886    1.008000    0.040000
  2.0409E+01  1.1424E+01 -2.3899E+00
 -2.8803E+01  8.0062E+00 -1.9512E+00
 -1.4287E+03  7.8305E+01 -5.9443E+02
CT            5887   12.011000    0.145000
 -4.5348E+00  2.0055E+01 -5.9963E+00
  6.1776E-01  7.8018E+00 -1.1166E+00
  1.0038E+03 -2.6719E+03 -1.7153E+02
OH            5888    0.000000   -0.683000
 -3.4549E+00  2.0091E+01 -5.0904E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5889    1.008000    0.418000
 -3.6763E+00  1.9453E+01 -4.4290E+00
  7.3911E+00  1.5022E+01  1.7867E+01
  4.3157E+01  3.5522E+02 -5.8706E+02
HC            5890    1.008000    0.040000
 -5.4793E+00  2.0322E+01 -5.5226E+00
 -1.6259E+00  3.2757E+01 -1.7785E+01
  6.2922E+02  2.7744E+03 -1.7370E+03
HC            5891    1.008000    0.040000
 -4.6668E+00  1.9019E+01 -6.3092E+00
  5.2187E+00  1.2659E+01 -2.0479E+01
  6.9780E+02  3.4485E+02 -1.1438E+03
HC            5892    1.008000    0.040000
 -4.2504E+00 -2.0359E+01 -6.9295E+00
  2.6472E+01 -1.5832E+01 -6.9057E+00
 -2.2686E+03  9.7808E+02  1.7027E+03
CT            5893   12.011000    0.145000
 -1.0325E+01  1.4518E+01 -6.1575E+00
 -2.6862E+00 -4.3756E+00  5.3054E+00
 -3.2344E+03 -6.0606E+02 -6.4909E+02
OH            5894    0.000000   -0.683000
 -1.0140E+01  1.3400E+01 -6.9964E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5895    1.008000    0.418000
 -1.0891E+01  1.2835E+01 -6.8918E+00
 -1.2366E+01  1.5160E+01 -3.0164E+00
 -2.4960E+03  3.5363E+03  2.7462E+02
HC            5896    1.008000    0.040000
 -9.4396E+00  1.5127E+01 -6.3401E+00
 -1.0261E+01 -4.7983E-01 -2.3328E+01
 -2.0246E+03  1.2969E+03  1.5288E+03
HC            5897    1.008000    0.040000
 -1.0570E+01  1.4319E+01 -5.1142E+00
 -1.1848E+01  1.5088E+01  7.3100E+00
  2.6831E+03 -1.3411E+03 -2.7890E+02
HC            5898    1.008000    0.040000
 -1.1199E+01  1.5082E+01 -6.4841E+00
  2.2846E+01  2.4428E+01 -1.9788E+01
  2.7066E+03  8.3363E+02 -1.6394E+03
CT            5899   12.011000    0.145000
  1.5924E+01 -3.6715E+00  1.1716E+01
  4.0907E+00 -5.3723E+00  6.7915E+00
  5.4555E+03 -1.0749E+03  6.5421E+03
OH            5900    0.000000   -0.683000
  1.5041E+01 -3.1228E+00  1.2668E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5901    1.008000    0.418000
  1.4699E+01 -3.8515E+00  1.3164E+01
 -7.7811E-01  3.8050E+00  5.1428E+00
  1.2396E+03 -4.7958E+02  3.6556E+01
HC            5902    1.008000    0.040000
  1.5751E+01 -4.7041E+00  1.1412E+01
 -1.4252E+01  5.5042E+00 -2.4527E+01
 -4.9420E+03  2.7307E+03 -4.6451E+03
HC            5903    1.008000    0.040000
  1.6896E+01 -3.9422E+00  1.2126E+01
  1.0056E+01  1.6196E+01  8.1027E+00
  3.1292E+02  3.7865E+03  2.9496E+03
HC            5904    1.008000    0.040000
  1.6226E+01 -2.9468E+00  1.0959E+01
 -3.9502E-01 -1.2501E+01 -2.0294E+00
 -1.2224E+03 -1.9539E+03 -1.9024E+03
CT            5905   12.011000    0.145000
 -7.0458E+00  1.3706E+01  1.8856E+01
 -6.4918E+00 -2.9274E+00  5.7653E-01
 -3.5187E+03 -5.9207E+03  1.1079E+03
OH            5906    0.000000   -0.683000
 -6.9956E+00  1.3344E+01  1.7494E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5907    1.008000    0.418000
 -6.7683E+00  1.4155E+01  1.7065E+01
  3.0144E+01 -7.1137E+00  2.9540E-01
 -2.0420E+03 -1.4433E+03 -1.0388E+03
HC            5908    1.008000    0.040000
 -7.2929E+00  1.2761E+01  1.9340E+01
 -3.9806E-01 -1.8351E+01 -2.4564E+01
  2.9968E+02  4.7949E+02  2.7633E+02
HC            5909    1.008000    0.040000
 -7.8117E+00  1.4463E+01  1.9025E+01
  2.5367E+01  3.7142E+01 -1.7125E+01
  3.7696E+03  6.3036E+02 -4.6792E+01
HC            5910    1.008000    0.040000
 -6.0533E+00  1.3976E+01  1.9217E+01
 -1.0418E+01  2.9354E+00  7.2531E+00
 -1.3269E+03  2.6227E+03  5.5530E+02
CT            5911   12.011000    0.145000
  8.1100E+00  7.3513E+00  1.5404E+01
  1.0858E+00 -9.3776E-02  1.1049E+00
 -3.2939E+02 -4.4725E+02  1.4076E+03
OH            5912    0.000000   -0.683000
  8.3511E+00  6.0077E+00  1.5051E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5913    1.008000    0.418000
  7.9168E+00  5.4289E+00  1.5658E+01
 -1.1647E+01 -7.4116E+00 -1.4709E+01
 -3.9506E+02  1.5359E+03  4.1263E+02
HC            5914    1.008000    0.040000
  9.0173E+00  7.7114E+00  1.5889E+01
  5.8517E+00 -1.7261E+01  5.6334E+00
 -1.3651E+03  1.3600E+02  1.7548E+03
HC            5915    1.008000    0.040000
  7.2379E+00  7.2439E+00  1.6049E+01
  4.5894E+00 -1.8279E+01  3.3545E+00
  1.4334E+03  2.1471E+03  1.6921E+03
HC            5916    1.008000    0.040000
  7.8287E+00  8.0564E+00  1.4622E+01
 -9.0304E+00 -1.4580E+01 -8.8402E+00
  5.5717E+02 -2.3123E+03 -1.8267E+03
CT            5917   12.011000    0.145000
  2.2596E+00  2.0674E+00  1.8944E+01
 -1.6391E+00  4.8561E+00  3.2907E+00
  9.1959E+02  4.3726E+03  9.2618E+02
OH            5918    0.000000   -0.683000
  1.4975E+00  2.5399E+00  1.7856E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5919    1.008000    0.418000
  1.9329E+00  2.4003E+00  1.7029E+01
 -2.5616E+00 -6.8723E+00 -2.5414E-01
  2.2363E+03  1.0236E+03  1.1506E+03
HC            5920    1.008000    0.040000
  1.7278E+00  2.4139E+00  1.9830E+01
 -3.8735E+00  6.4037E+00  1.3569E+00
  7.3281E+02 -1.6579E+02  6.4927E+02
HC            5921    1.008000    0.040000
  3.2559E+00  2.5090E+00  1.8963E+01
  9.1515E-01 -7.1298E-01  1.0641E+00
 -4.3437E+02  1.3980E+03 -6.4220E+02
HC            5922    1.008000    0.040000
  2.4507E+00  1.0113E+00  1.9135E+01
 -1.7285E+01  2.6508E+00  8.1945E+00
 -3.2894E+03 -7.3637E+02 -3.6015E+03
CT            5923   12.011000    0.145000
 -1.7629E+00  6.8465E-01 -2.6939E+00
  4.0992E+00  1.2551E+00  9.8017E-02
  6.2201E+03  3.6862E+03 -4.2978E+01
OH            5924    0.000000   -0.683000
 -1.8698E+00  9.1061E-01 -1.3062E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5925    1.008000    0.418000
 -2.7401E+00  1.2507E+00 -1.1650E+00
 -1.1546E+00 -4.4875E-01 -5.7841E+00
  2.8324E+02  1.6126E+02  9.3118E+02
HC            5926    1.008000    0.040000
 -1.5541E+00  1.5805E+00 -3.2787E+00
 -5.8281E+00  3.3827E+00 -3.6375E-01
 -3.4216E+03  2.5231E+03  1.9460E+03
HC            5927    1.008000    0.040000
 -2.5035E+00  1.1492E-01 -3.2552E+00
  1.9033E+01 -1.8849E+01 -3.1838E-01
 -3.7473E+02 -3.1595E+02  2.9916E+03
HC            5928    1.008000    0.040000
 -7.8604E-01  2.8950E-01 -2.9725E+00
  6.8057E+00  8.6936E+00 -1.1931E+00
 -4.9465E+02 -3.2263E+03  2.2717E+03
CT            5929   12.011000    0.145000
 -1.7171E+01 -1.7684E+01 -6.2236E+00
  3.4157E-01  1.1284E-01  1.2308E-01
  1.7544E+03  8.8774E+02  7.8325E+02
OH            5930    0.000000   -0.683000
 -1.6925E+01 -1.7073E+01 -7.4701E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5931    1.008000    0.418000
 -1.6291E+01 -1.6378E+01 -7.3809E+00
  6.3871E+00 -1.7329E+00 -2.4604E+01
 -1.0217E+03 -4.3042E+01 -2.3264E+01
HC            5932    1.008000    0.040000
 -1.6190E+01 -1.8100E+01 -5.9961E+00
  5.8676E+00  4.9037E+00 -1.3873E+01
  1.1375E+02  1.9067E+03  2.0517E+03
HC            5933    1.008000    0.040000
 -1.7835E+01 -1.8544E+01 -6.1292E+00
  2.3147E-02 -1.6498E+00 -1.5528E+01
 -8.5336E+02  3.2925E+02 -4.6578E+03
HC            5934    1.008000    0.040000
 -1.7538E+01 -1.7019E+01 -5.4418E+00
  1.6596E+00 -8.6060E+00  8.3468E+00
  1.6684E+03  1.1420E+03 -3.8260E+02
CT            5935   12.011000    0.145000
 -1.4258E+01  1.3886E+01  8.9642E+00
 -1.6439E+00 -3.9295E+00  1.3427E+00
 -1.7693E+03 -4.4994E+03  6.7654E+02
OH            5936    0.000000   -0.683000
 -1.2960E+01  1.3335E+01  8.9252E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5937    1.008000    0.418000
 -1.2904E+01  1.2394E+01  8.8557E+00
 -7.9282E+00  6.6028E-01 -2.6183E+01
 -3.9932E+03  5.4907E+02  2.1070E+03
HC            5938    1.008000    0.040000
 -1.4590E+01  1.4337E+01  9.8991E+00
  8.8481E+00  1.1477E+01 -1.9694E+00
  2.7681E+03  2.5902E+02  5.4782E+02
HC            5939    1.008000    0.040000
 -1.4957E+01  1.3061E+01  8.8323E+00
 -9.7662E+00  4.1664E+00 -7.8933E+00
 -8.8475E+02  6.3268E+02 -1.5135E+03
HC            5940    1.008000    0.040000
 -1.4474E+01  1.4644E+01  8.2110E+00
 -1.4984E+01  5.5891E-02  8.8516E+00
  6.7958E+02 -8.6248E+02 -2.5022E+02
CT            5941   12.011000    0.145000
  7.1657E+00 -1.9957E+01 -1.5328E+01
 -1.8922E-01 -1.6460E+00  1.7656E+00
 -6.1039E+03 -2.6788E+03  1.2538E+03
OH            5942    0.000000   -0.683000
  7.4168E+00  1.9916E+01 -1.6261E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5943    1.008000    0.418000
  6.6666E+00  1.9403E+01 -1.6520E+01
  8.2354E+00 -2.8774E+01  2.6881E+01
 -6.1053E+02  3.6008E+03  1.9369E+03
HC            5944    1.008000    0.040000
  6.6263E+00 -1.9134E+01 -1.5795E+01
  8.6271E-01  1.9360E+00  6.7803E+00
 -9.0624E+01  2.2159E+02  4.5916E+02
HC            5945    1.008000    0.040000
  7.9753E+00 -1.9567E+01 -1.4711E+01
 -8.5025E+00  3.6566E-01  1.1689E+01
  6.0471E+02 -9.4783E+02 -1.3609E+03
HC            5946    1.008000    0.040000
  6.4768E+00  2.0369E+01 -1.4707E+01
 -7.8259E+00 -1.2279E+01 -1.5771E+01
 -2.4709E+02  2.7125E+03  1.8833E+03
CT            5947   12.011000    0.145000
  7.5523E+00  3.0932E+00  1.2521E+01
  2.0225E+00 -3.6386E-01 -3.5416E+00
 -2.9310E+03  1.9509E+03  4.2975E+03
OH            5948    0.000000   -0.683000
  6.3299E+00  2.8885E+00  1.1848E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5949    1.008000    0.418000
  6.5003E+00  2.4629E+00  1.1022E+01
  5.8085E+00 -2.8303E-01  1.2998E+00
  4.9524E+03  1.5949E+03  1.6979E+02
HC            5950    1.008000    0.040000
  8.2278E+00  3.5184E+00  1.1779E+01
  5.5466E+00  3.3357E+00  1.7136E+00
  3.3519E+03 -1.7182E+03  2.5934E+03
HC            5951    1.008000    0.040000
  7.7140E+00  2.1868E+00  1.3104E+01
  2.5445E+00  1.1033E+01  1.4821E+01
  4.8494E+03 -3.0509E+01 -2.6573E+03
HC            5952    1.008000    0.040000
  7.2829E+00  3.7828E+00  1.3321E+01
 -1.2664E+01 -1.8621E+01  8.1085E+00
  2.3120E+03  1.7057E+03 -1.4332E+03
CT            5953   12.011000    0.145000
 -1.0030E+01 -1.9660E+01 -4.5115E-02
  1.9603E+00  2.4643E+00 -6.2697E-01
  5.6043E+02  1.4708E+03 -8.1870E+02
OH            5954    0.000000   -0.683000
 -9.4438E+00 -2.0398E+01 -1.0947E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5955    1.008000    0.418000
 -9.6970E+00 -2.0091E+01 -1.9519E+00
 -1.1989E+01  3.6827E+00  4.6505E+00
 -2.2975E+03  2.3191E+03  1.5471E+03
HC            5956    1.008000    0.040000
 -1.1079E+01 -1.9901E+01  1.2620E-01
  3.9021E+00 -8.0664E+00 -2.8033E+00
  4.5404E+02 -1.5919E+03 -2.6963E+02
HC            5957    1.008000    0.040000
 -1.0009E+01 -1.8582E+01 -1.9886E-01
 -7.2239E+00  1.0554E+00 -1.3373E+01
  1.1381E+03 -2.7054E+02 -1.1286E+03
HC            5958    1.008000    0.040000
 -9.4353E+00 -1.9904E+01  8.3564E-01
  9.6762E+00 -6.7655E+00 -8.1557E+00
 -1.1814E+03  1.7007E+01  4.4021E+02
CT            5959   12.011000    0.145000
 -1.7281E+01  1.7929E+01 -4.5385E+00
  2.9853E+00  2.4263E+00 -5.1888E+00
 -1.0838E+03 -1.8619E+03  2.3975E+03
OH            5960    0.000000   -0.683000
 -1.6034E+01  1.7666E+01 -3.9362E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5961    1.008000    0.418000
 -1.6294E+01  1.7168E+01 -3.1760E+00
 -1.3294E+01  1.7204E+00 -3.1781E+00
  1.0225E+03  1.5031E+03  9.9662E+02
HC            5962    1.008000    0.040000
 -1.7233E+01  1.8487E+01 -5.4736E+00
 -6.3427E+00 -5.7506E+00 -1.0745E+01
 -4.1008E+02 -9.6313E+01  4.1452E+02
HC            5963    1.008000    0.040000
 -1.7974E+01  1.8383E+01 -3.8298E+00
  4.7209E+00  4.2088E+00 -4.6255E+00
  1.6872E+03  3.3629E+03 -3.1789E+02
HC            5964    1.008000    0.040000
 -1.7804E+01  1.6985E+01 -4.6926E+00
  1.5194E+01 -3.8361E+00 -9.6192E+00
  1.4933E+03 -5.3728E+02 -2.2160E+03
CT            5965   12.011000    0.145000
  6.1141E+00  1.8264E+01  2.9076E+00
 -3.3175E+00 -6.7691E+00 -1.5274E+00
  1.7613E+01  1.1430E+03  1.5426E+03
OH            5966    0.000000   -0.683000
  4.8482E+00  1.8883E+01  2.9505E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5967    1.008000    0.418000
  4.7423E+00  1.9350E+01  3.7652E+00
  3.7229E+00  2.8883E+00 -1.1426E+00
  3.4541E+02 -1.1241E+03  6.4277E+02
HC            5968    1.008000    0.040000
  6.2034E+00  1.7877E+01  1.8924E+00
 -2.3585E+00  5.7877E+00 -6.4051E+00
  7.4880E+02 -2.0101E+03  1.3149E+03
HC            5969    1.008000    0.040000
  6.1580E+00  1.7562E+01  3.7405E+00
  2.9039E+01  1.5620E+00  5.1803E+00
  1.7680E+03 -5.4807E+02 -1.7394E+03
HC            5970    1.008000    0.040000
  6.8600E+00  1.9046E+01  3.0448E+00
  4.3200E+00 -1.3121E+01 -5.9422E+00
  8.4473E+02 -9.4411E+02  8.6340E+02
CT            5971   12.011000    0.145000
  2.1312E+00  1.2960E+00 -2.8643E+00
  8.5796E+00  8.0956E+00 -4.1451E+00
  3.3544E+03  3.0268E+03 -4.3745E+03
OH            5972    0.000000   -0.683000
  2.8615E+00  2.2188E-01 -3.4128E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5973    1.008000    0.418000
  3.2798E+00  5.6996E-01 -4.1854E+00
  4.2254E+00  2.2647E+00  3.2641E+00
 -1.5413E+01  1.5588E+02  1.0244E+02
HC            5974    1.008000    0.040000
  1.5100E+00  1.1048E+00 -1.9893E+00
 -1.0812E+00 -1.0476E+01 -1.4441E+01
  8.2093E+02 -2.0546E+03 -9.3031E+02
HC            5975    1.008000    0.040000
  1.4868E+00  1.7262E+00 -3.6309E+00
 -1.4130E+01 -1.0748E+01  3.1652E+00
 -1.6704E+03 -2.3644E+03  5.2634E+02
HC            5976    1.008000    0.040000
  2.7577E+00  2.1743E+00 -2.7086E+00
 -5.9547E+00  2.2207E+01 -2.0842E+01
  8.3089E+02 -1.6230E+03  1.6831E+03
CT            5977   12.011000    0.145000
  4.8620E+00 -1.7929E+01  1.8067E+01
 -1.0014E+01  4.4483E+00  3.3015E+00
 -2.9075E+03 -9.1820E+02 -1.9289E+03
OH            5978    0.000000   -0.683000
  4.8551E+00 -1.7118E+01  1.6914E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5979    1.008000    0.418000
  4.6902E+00 -1.6233E+01  1.7202E+01
 -2.4881E+01  3.6790E+00 -2.1708E+01
 -9.4737E+02 -4.7198E+02 -2.0651E+03
HC            5980    1.008000    0.040000
  5.0319E+00 -1.7572E+01  1.9083E+01
  3.2782E+00 -3.2541E+01  1.5755E+01
  8.8579E+02  1.8443E+03 -3.1047E+03
HC            5981    1.008000    0.040000
  5.4970E+00 -1.8810E+01  1.7969E+01
 -2.8262E+01 -8.2654E+00 -6.7249E+00
  4.5098E+01  9.7000E+02 -1.1855E+03
HC            5982    1.008000    0.040000
  3.8493E+00 -1.8330E+01  1.8113E+01
 -1.4896E+01  1.6340E+01  2.9785E+00
  1.0384E+02 -4.1267E+02  4.1699E+02
CT            5983   12.011000    0.145000
 -1.4819E+01 -3.7822E+00 -1.9989E+01
  1.5803E+00  7.6796E-01 -6.3914E-01
 -4.2681E+02 -1.2405E+03  7.7914E+02
OH            5984    0.000000   -0.683000
 -1.4939E+01 -4.5292E+00  1.9721E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5985    1.008000    0.418000
 -1.5010E+01 -5.4259E+00  2.0010E+01
  1.4111E+01  3.9097E-01  5.4537E+00
 -1.9464E+02  3.3492E+02  1.6828E+02
HC            5986    1.008000    0.040000
 -1.5560E+01 -4.1311E+00 -1.9270E+01
 -2.8310E+01  8.5370E+00 -2.5476E+01
 -2.1122E+03  2.7792E+03 -2.1485E+03
HC            5987    1.008000    0.040000
 -1.4922E+01 -2.7456E+00 -2.0310E+01
  2.3330E+00  2.5078E+00  4.6445E+00
 -7.1696E+02  8.3336E+02  3.2619E+03
HC            5988    1.008000    0.040000
 -1.3870E+01 -3.9155E+00 -1.9468E+01
  6.3132E+00  8.6693E+00 -6.9936E+00
  2.0329E+03  9.3489E+02 -3.4355E+03
CT            5989   12.011000    0.145000
 -1.7544E+01 -9.2810E+00  5.1148E+00
  5.1945E+00  6.1919E+00 -5.4932E-01
 -6.8486E+03 -8.3894E+02 -7.4660E+02
OH            5990    0.000000   -0.683000
 -1.7511E+01 -9.4432E+00  3.7146E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5991    1.008000    0.418000
 -1.8359E+01 -9.7863E+00  3.4791E+00
  1.9552E+00 -1.7748E+01  1.6324E+01
  9.4958E+02 -1.3829E+03  5.2859E+02
HC            5992    1.008000    0.040000
 -1.6718E+01 -8.6396E+00  5.4232E+00
  1.5916E+01 -6.1787E+00 -2.6397E+00
  1.3306E+02 -2.5366E+03  2.6148E+03
HC            5993    1.008000    0.040000
 -1.7662E+01 -1.0304E+01  5.4712E+00
  5.2452E+00  9.4424E+00  9.0932E+00
  4.4667E+03  6.0548E+02  3.4558E+03
HC            5994    1.008000    0.040000
 -1.8507E+01 -8.8384E+00  5.3660E+00
  1.7331E+01  2.8162E+01  1.0286E+01
  1.3131E+03  2.6145E+03  8.1702E+02
CT            5995   12.011000    0.145000
 -7.7512E+00  1.5048E+01 -1.3580E+00
 -4.4326E+00  5.6207E+00 -2.4747E+00
  2.2307E+03 -7.3285E+03  2.3417E+03
OH            5996    0.000000   -0.683000
 -7.6651E+00  1.4529E+01 -2.6664E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5997    1.008000    0.418000
 -7.6802E+00  1.3585E+01 -2.6381E+00
  7.5443E+00 -5.3781E-01 -9.0179E+00
  1.0789E+03  2.4781E+02  2.0550E+03
HC            5998    1.008000    0.040000
 -8.6619E+00  1.4684E+01 -8.8188E-01
 -8.2587E+00  6.9823E+00 -8.6398E+00
 -8.1534E+02  1.8252E+03  6.4076E+01
HC            5999    1.008000    0.040000
 -7.5393E+00  1.6106E+01 -1.2033E+00
  2.8245E+00  4.7915E+00 -6.3077E+00
 -8.2996E+01 -5.4721E+02 -3.4364E+02
HC            6000    1.008000    0.040000
 -6.9262E+00  1.4454E+01 -9.6433E-01
  1.1246E+01  1.8546E+01 -1.4429E+01
  6.0739E+02  2.3935E+03  2.5346E+03
timestep        20      6000         2         3    0.002000
   40.90       0.000       0.000    
   0.000       40.90       0.000    
   0.000       0.000       40.90    
CT               1   12.011000    0.145000
 -1.9043E+01 -1.1172E+01  1.6562E+01
  3.3506E+00  1.2617E+00 -5.3263E+00
  1.6766E+03 -1.3404E+03  2.9626E+03
OH               2    0.000000   -0.683000
 -1.8671E+01 -9.9232E+00  1.7100E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO               3    1.008000    0.418000
 -1.9144E+01 -9.1604E+00  1.6805E+01
  1.5807E+01  7.6869E+00 -6.6959E+00
 -1.2781E+03 -1.8184E+03 -1.0313E+03
HC               4    1.008000    0.040000
 -1.8394E+01 -1.1785E+01  1.7186E+01
  3.0480E+00  2.3243E+01  1.8242E+01
 -1.3516E+03 -1.0792E+03 -1.1923E+03
HC               5    1.008000    0.040000
 -1.8726E+01 -1.1249E+01  1.5522E+01
  4.1790E+00  6.3896E+00 -5.4773E+00
 -2.7609E+03  1.1285E+03 -6.9520E+02
HC               6    1.008000    0.040000
 -2.0063E+01 -1.1513E+01  1.6738E+01
  2.0386E+00 -7.0503E-01 -1.6041E+01
 -4.8812E+02  1.3928E+03 -9.6670E+02
CT               7   12.011000    0.145000
  4.6762E+00  7.0335E-01 -1.1276E+01
  4.1568E-01 -4.3207E-01  1.7444E+00
 -5.9942E+03 -3.5753E+03 -3.3356E+02
OH               8    0.000000   -0.683000
  3.9664E+00  1.8363E+00 -1.0828E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO               9    1.008000    0.418000
  3.3100E+00  1.3964E+00 -1.0310E+01
  1.9034E+01 -1.6685E+01  1.1435E+01
 -1.3175E+03  3.0592E+03 -1.3262E+03
HC              10    1.008000    0.040000
  4.2200E+00  2.7603E-01 -1.2169E+01
  2.4665E+01 -3.7745E+00 -9.8683E+00
  3.1980E+03  1.9415E+03 -2.6096E+03
HC              11    1.008000    0.040000
  4.3184E+00 -6.0800E-02 -1.0586E+01
  2.1420E+01 -6.5917E+00  6.5451E+00
  5.2799E+03 -1.0330E+03  2.1051E+03
HC              12    1.008000    0.040000
  5.7521E+00  8.6841E-01 -1.1334E+01
 -2.0636E+00  1.4748E+01 -6.1854E+00
 -6.5720E+02 -1.8146E+03 -7.0913E+02
CT              13   12.011000    0.145000
 -3.7586E+00  1.2732E+01  6.2272E+00
  4.5209E+00 -2.2180E+00  1.7742E-01
 -5.8621E+02  3.4030E+03  2.4271E+03
OH              14    0.000000   -0.683000
 -4.1814E+00  1.1970E+01  7.3359E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              15    1.008000    0.418000
 -3.3659E+00  1.1815E+01  7.7875E+00
  2.3659E+00  1.4574E+01  1.2139E+00
 -8.8906E+02 -1.7752E+03  2.4371E+02
HC              16    1.008000    0.040000
 -4.4899E+00  1.3508E+01  6.0029E+00
  7.9607E+00  3.4846E+00  8.2235E+00
 -5.8426E+02 -5.8814E+02 -3.7069E+02
HC              17    1.008000    0.040000
 -3.5164E+00  1.2196E+01  5.3092E+00
  1.2226E+00 -5.7675E+00  1.3508E+00
  7.1341E+02 -1.0067E+03  1.1791E+03
HC              18    1.008000    0.040000
 -2.9306E+00  1.3317E+01  6.6263E+00
 -7.7543E+00  2.1088E+01 -6.7064E+00
  5.6317E+02  1.7971E+02 -2.7259E+03
CT              19   12.011000    0.145000
  4.3954E+00 -1.6340E+01 -9.8123E+00
 -1.6304E+00  2.1362E+00 -7.3440E-01
  2.5851E+03 -1.2355E+03  1.0520E+03
OH              20    0.000000   -0.683000
  3.9588E+00 -1.6218E+01 -8.4771E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              21    1.008000    0.418000
  4.3594E+00 -1.5486E+01 -8.0335E+00
  1.8458E+01 -6.6252E+00 -4.8159E+00
  1.2779E+03  3.1716E+03 -7.2641E+03
HC              22    1.008000    0.040000
  5.4753E+00 -1.6216E+01 -9.8931E+00
 -9.9016E-01 -9.4259E+00 -1.3497E+01
  5.7983E+01 -6.4044E+02  1.4834E+03
HC              23    1.008000    0.040000
  4.0240E+00 -1.5635E+01 -1.0556E+01
  2.0688E+01  9.9673E+00 -5.2322E+00
 -2.7895E+03 -1.3408E+03  1.6889E+03
HC              24    1.008000    0.040000
  4.2541E+00 -1.7386E+01 -1.0083E+01
 -3.5293E+00  7.5904E+00 -2.2761E+01
 -1.3834E+03  1.0723E+03 -2.6379E+03
CT              25   12.011000    0.145000
 -1.0556E+01  4.1474E+00  1.7568E+00
 -1.0875E+00 -1.4287E+00 -2.1619E+00
 -5.7146E+01 -1.8543E+03 -5.7379E+00
OH              26    0.000000   -0.683000
 -9.2756E+00  4.0642E+00  1.1715E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              27    1.008000    0.418000
 -8.6511E+00  4.0242E+00  1.8796E+00
  9.3938E+00 -2.0319E+01 -8.6191E+00
  7.3587E+02 -3.4152E+03 -1.2093E+03
HC              28    1.008000    0.040000
 -1.0907E+01  5.1181E+00  2.1073E+00
  4.8209E+00  4.5309E+00 -1.2258E+01
  3.6301E+03  1.6237E+03 -1.3649E+03
HC              29    1.008000    0.040000
 -1.0637E+01  3.5121E+00  2.6387E+00
  1.5745E+01 -9.2977E-01  7.8804E-02
  2.2617E+03 -7.4066E+02 -3.8744E+02
HC              30    1.008000    0.040000
 -1.1371E+01  3.7932E+00  1.1255E+00
 -9.6631E+00 -7.3970E+00  1.1775E+01
  1.2505E+03  1.5131E+02 -1.1206E+03
CT              31   12.011000    0.145000
  9.1727E+00  2.0576E+00  3.9064E+00
  1.0471E+00 -4.4158E+00 -6.6812E+00
  1.5201E+03  1.4970E+03  2.3663E+03
OH              32    0.000000   -0.683000
  9.5811E+00  9.6684E-01  4.7011E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              33    1.008000    0.418000
  1.0398E+01  5.8442E-01  4.4208E+00
 -2.6591E+00 -4.8532E+00 -1.2487E+00
  1.2631E+03  4.4738E+03 -1.8024E+03
HC              34    1.008000    0.040000
  9.1124E+00  1.9153E+00  2.8274E+00
 -5.3251E+00  1.6136E+01 -9.4724E+00
  1.0743E+03  1.9167E+02  6.0021E+02
HC              35    1.008000    0.040000
  9.8555E+00  2.8762E+00  4.1338E+00
  8.4911E+00 -9.5500E-01 -3.7121E+01
 -7.7863E+01  3.0691E+02 -2.7543E+03
HC              36    1.008000    0.040000
  8.1934E+00  2.3639E+00  4.2742E+00
  6.2743E+00  6.7988E+00 -1.6168E+00
 -9.3564E+01  7.4883E+02 -1.4431E+03
CT              37   12.011000    0.145000
  1.6920E+01  1.7017E+01 -6.2060E-02
  2.5765E+00  1.6844E+00  3.2904E+00
 -6.0238E+03 -2.5950E+03 -5.3011E+03
OH              38    0.000000   -0.683000
  1.6803E+01  1.8300E+01 -6.3352E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              39    1.008000    0.418000
  1.6495E+01  1.8334E+01 -1.5262E+00
 -2.3270E+01  1.1430E+01  7.6565E+00
 -2.0393E+03 -3.0511E+03  1.3443E+03
HC              40    1.008000    0.040000
  1.7438E+01  1.6740E+01  8.5640E-01
  2.9388E+01 -3.6872E+00 -1.2357E+01
  2.1260E+03  5.2936E+03 -1.2070E+03
HC              41    1.008000    0.040000
  1.7218E+01  1.6232E+01 -7.5758E-01
  5.1564E+00 -1.4135E+01  2.1401E+01
  2.3546E+03  1.7231E+03 -3.9849E+02
HC              42    1.008000    0.040000
  1.5932E+01  1.6598E+01  1.2568E-01
  2.4791E+00 -2.9581E+00 -6.9174E+00
 -1.4115E+03  2.2832E+03 -5.9471E+02
CT              43   12.011000    0.145000
 -7.3448E+00 -5.1617E+00 -1.7061E+01
 -4.4014E+00  5.9731E-01 -2.8513E+00
  1.3653E+03  9.1381E+02  4.6674E+02
OH              44    0.000000   -0.683000
 -7.9268E+00 -4.4368E+00 -1.6000E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              45    1.008000    0.418000
 -8.7550E+00 -4.0751E+00 -1.6277E+01
 -1.0708E+00  1.0292E+01  1.5448E+01
  9.0306E+02  4.9914E+02 -6.8810E+02
HC              46    1.008000    0.040000
 -6.6732E+00 -5.8400E+00 -1.6534E+01
  1.9113E+00  1.1673E+01  3.7589E+00
  2.4286E+02 -1.0899E+03 -2.2553E+03
HC              47    1.008000    0.040000
 -6.8078E+00 -4.4285E+00 -1.7662E+01
 -3.5116E+01  2.6152E+01 -1.7764E+00
 -1.1291E+03 -1.6254E+03 -4.1477E+02
HC              48    1.008000    0.040000
 -8.1524E+00 -5.6244E+00 -1.7628E+01
 -2.0252E+01  1.4406E+01  7.4853E+00
  1.4598E+03 -6.0437E+02 -1.0986E+02
CT              49   12.011000    0.145000
 -1.6108E+00 -5.2247E+00 -5.7416E-01
  8.1708E-01 -8.9244E+00  2.8486E+00
  2.4233E+02 -4.4234E+03 -8.7047E+02
OH              50    0.000000   -0.683000
 -2.9833E-01 -5.2588E+00 -1.0885E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              51    1.008000    0.418000
  3.5362E-01 -5.2519E+00 -4.0439E-01
 -9.5172E-01  2.4139E+01  1.5218E+00
 -2.2069E+03  1.8195E+03  1.4739E+03
HC              52    1.008000    0.040000
 -2.1323E+00 -4.3230E+00 -2.5315E-01
  1.2517E+01 -2.8303E+00  5.2993E+00
  3.6331E+03  2.3519E+03 -1.8874E+03
HC              53    1.008000    0.040000
 -1.8488E+00 -5.9044E+00  2.4407E-01
 -2.1592E+01  1.6552E+00  5.8787E+00
  1.2821E+03 -1.1662E+03 -1.3416E+03
HC              54    1.008000    0.040000
 -2.0756E+00 -5.5957E+00 -1.4876E+00
 -1.3824E+01 -1.2715E+01  1.1507E+01
 -3.9080E+03  1.9292E+02  1.7615E+03
CT              55   12.011000    0.145000
 -1.6974E+01  1.3246E+01 -1.9360E+01
 -3.4742E-01 -2.2228E+00 -5.4301E-01
  4.1088E+03 -3.5231E+03 -5.1392E+01
OH              56    0.000000   -0.683000
 -1.6727E+01  1.3541E+01  2.0184E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              57    1.008000    0.418000
 -1.6737E+01  1.2681E+01  1.9792E+01
 -7.9620E+00  3.7201E+00 -8.3483E+00
 -1.7038E+01  1.8655E+03 -4.0307E+03
HC              58    1.008000    0.040000
 -1.6772E+01  1.4022E+01 -1.8622E+01
  9.0730E+00 -2.1559E+01  1.8346E+01
 -7.0928E+02 -5.7559E+01 -1.3058E+03
HC              59    1.008000    0.040000
 -1.6209E+01  1.2497E+01 -1.9156E+01
  2.1197E+01  1.5359E+01 -1.2326E+01
  1.3272E+03  1.8523E+03  6.4288E+02
HC              60    1.008000    0.040000
 -1.7891E+01  1.2726E+01 -1.9082E+01
 -1.9997E+01  2.6754E+01 -6.6891E+00
 -1.5339E+03  2.9947E+03 -2.6562E+03
CT              61   12.011000    0.145000
 -1.9212E+00  1.3415E+01 -9.5132E+00
 -7.3629E+00 -7.0693E-01  2.7265E+00
 -9.5386E+02 -3.2213E+02  1.3915E+03
OH              62    0.000000   -0.683000
 -1.6736E+00  1.4458E+01 -8.5971E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              63    1.008000    0.418000
 -2.4622E+00  1.4976E+01 -8.6522E+00
 -2.4799E+00 -2.7655E+00  8.0667E+00
  1.4666E+03  1.9935E+03  4.9518E+01
HC              64    1.008000    0.040000
 -2.9871E+00  1.3188E+01 -9.4924E+00
 -1.4437E+01  1.9252E+01 -3.8525E+01
  1.9337E+03 -7.1821E+02 -1.5188E+03
HC              65    1.008000    0.040000
 -1.2900E+00  1.2541E+01 -9.3516E+00
 -6.6838E+00 -5.1869E-02  3.6266E+00
 -5.0258E+01  9.3600E+01  6.5279E+02
HC              66    1.008000    0.040000
 -1.6704E+00  1.3815E+01 -1.0496E+01
  2.8460E+00  9.2026E+00  9.1248E+00
 -6.5704E+02 -1.0213E+03 -1.1324E+02
CT              67   12.011000    0.145000
  1.1616E+01 -4.7653E-01 -6.0398E+00
  1.4033E+00  5.1005E+00 -1.5288E+00
  1.3857E+03 -1.4925E+03 -2.7903E+03
OH              68    0.000000   -0.683000
  1.2884E+01 -6.5403E-01 -5.4485E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              69    1.008000    0.418000
  1.3396E+01 -1.3148E+00 -5.8891E+00
 -2.2539E+00  3.6044E+00 -8.2207E+00
 -3.7026E+03 -1.5694E+03 -1.8273E+03
HC              70    1.008000    0.040000
  1.1918E+01 -5.1928E-01 -7.0862E+00
  5.5990E+00  4.0941E+00 -2.9575E-01
 -3.4527E+03 -8.6834E+01 -1.1591E+03
HC              71    1.008000    0.040000
  1.1149E+01  4.8855E-01 -5.8436E+00
  4.1650E-02  8.4745E+00 -1.9627E+01
  9.4009E+01 -4.3112E+02 -4.6874E+02
HC              72    1.008000    0.040000
  1.0937E+01 -1.2790E+00 -5.7522E+00
  1.0658E+00  3.0740E+00 -7.8285E+00
  4.3745E+02 -7.3074E+02 -1.2266E+03
CT              73   12.011000    0.145000
 -4.8358E+00 -1.6037E+01  1.3659E+01
  8.3940E+00 -2.1368E+00 -5.2874E-01
 -1.4794E+03  1.9612E+03  3.4302E+02
OH              74    0.000000   -0.683000
 -4.7172E+00 -1.5248E+01  1.2496E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              75    1.008000    0.418000
 -3.9579E+00 -1.5501E+01  1.1994E+01
  1.0709E+01  9.6094E+00  1.0706E+01
 -1.3751E+02 -2.3411E+03  1.6939E+03
HC              76    1.008000    0.040000
 -3.8987E+00 -1.6179E+01  1.4197E+01
  6.3082E+00  6.3649E+00  5.5543E+00
  4.6193E+02  1.2597E+02 -1.2930E+03
HC              77    1.008000    0.040000
 -5.3661E+00 -1.6972E+01  1.3478E+01
  7.1256E+00 -1.9902E+00  2.3738E+00
  2.1691E+03 -7.6004E+02 -1.5909E+03
HC              78    1.008000    0.040000
 -5.4761E+00 -1.5452E+01  1.4320E+01
  4.3112E+00  6.2923E+00 -1.1629E+01
  1.2163E+01 -6.8953E+02  5.1265E+02
CT              79   12.011000    0.145000
 -8.0655E+00 -3.8891E+00  9.6091E+00
  4.2667E-01 -6.6864E-01  1.7789E+00
  2.1702E+03 -8.7211E+02 -3.8423E+03
OH              80    0.000000   -0.683000
 -8.8870E+00 -5.0123E+00  9.3818E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              81    1.008000    0.418000
 -8.3907E+00 -5.7868E+00  9.5984E+00
  4.5947E+00  5.8459E+00  1.1213E+01
  6.4144E+02  2.4730E+01 -2.8299E+03
HC              82    1.008000    0.040000
 -7.3909E+00 -3.8820E+00  1.0465E+01
 -9.3238E+00  3.0814E-01  9.6378E+00
 -6.2633E+02 -2.8650E+03  1.7416E+02
HC              83    1.008000    0.040000
 -8.5417E+00 -2.9094E+00  9.6486E+00
 -4.0976E+00 -2.7027E+00 -1.4319E+00
 -2.2286E+03 -1.1914E+03 -1.2955E+03
HC              84    1.008000    0.040000
 -7.4538E+00 -3.9643E+00  8.7101E+00
  1.6099E+01 -1.7010E+01  1.3097E+01
  1.7049E+03  2.0634E+03  1.2444E+03
CT              85   12.011000    0.145000
 -1.4015E+01 -1.4339E+01  1.9193E+01
  2.8982E+00  4.0349E+00  4.8007E+00
  1.4701E+03 -6.4724E+00 -5.1658E+02
OH              86    0.000000   -0.683000
 -1.3953E+01 -1.3285E+01  1.8260E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              87    1.008000    0.418000
 -1.4252E+01 -1.2449E+01  1.8584E+01
 -1.0195E+01 -8.4520E+00  1.3472E+01
  2.3927E+03 -1.3460E+03  5.0424E+03
HC              88    1.008000    0.040000
 -1.4930E+01 -1.4293E+01  1.9784E+01
  9.6503E+00 -7.1269E+00  1.6672E+01
  1.9479E+03 -1.5135E+02  2.5351E+03
HC              89    1.008000    0.040000
 -1.3032E+01 -1.4265E+01  1.9660E+01
  1.3407E+01  1.6042E+01 -1.7607E+01
 -2.8519E+03 -6.6970E+02  3.5647E+03
HC              90    1.008000    0.040000
 -1.4044E+01 -1.5303E+01  1.8684E+01
 -1.1954E+01  3.2434E+00  6.7149E+00
  4.3872E+01  2.3187E+02 -4.0968E+01
CT              91   12.011000    0.145000
  1.2503E+01 -1.3050E+01 -5.6606E+00
  3.4917E+00  2.3747E+00 -3.8122E+00
  1.9295E+03  4.6870E+02 -7.9985E+02
OH              92    0.000000   -0.683000
  1.2822E+01 -1.2040E+01 -4.7301E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              93    1.008000    0.418000
  1.2116E+01 -1.1959E+01 -4.1075E+00
 -9.2505E-01  6.7463E+00 -1.8522E+00
 -1.5695E+03 -4.6797E+02 -1.8077E+03
HC              94    1.008000    0.040000
  1.3267E+01 -1.3158E+01 -6.4305E+00
  9.1927E+00  8.1422E+00  9.2281E-01
  5.6768E+02  1.6394E+03  1.6820E+02
HC              95    1.008000    0.040000
  1.1558E+01 -1.2821E+01 -6.1530E+00
 -1.0368E+01 -1.3739E+01  1.3717E+01
 -4.1194E+02 -1.2867E+03  1.5227E+03
HC              96    1.008000    0.040000
  1.2483E+01 -1.4048E+01 -5.2207E+00
 -3.2734E+00  1.7075E+00 -5.5216E+00
 -2.3314E+03  6.1594E+02  1.1093E+03
CT              97   12.011000    0.145000
 -1.7662E+01  1.1037E+01  1.0067E+01
  3.6416E-01 -5.3385E+00 -3.1506E+00
  1.8740E+03  3.5068E+03  2.9025E+02
OH              98    0.000000   -0.683000
 -1.8332E+01  1.1639E+01  8.9814E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO              99    1.008000    0.418000
 -1.8100E+01  1.2539E+01  8.8104E+00
 -1.1096E+01  5.5974E+00  1.2606E+01
  1.4024E+03  2.0806E+01  3.3749E+03
HC             100    1.008000    0.040000
 -1.7625E+01  1.1753E+01  1.0887E+01
  1.4735E+01  8.2123E+00 -1.4984E+01
 -1.1260E+03 -7.8122E+02  1.9256E+02
HC             101    1.008000    0.040000
 -1.6617E+01  1.0878E+01  9.8014E+00
 -3.3486E+00 -1.6507E+00 -2.1351E+01
 -4.0464E+02 -4.5021E+02 -5.0680E+02
HC             102    1.008000    0.040000
 -1.8125E+01  1.0101E+01  1.0381E+01
 -3.9384E+00  1.8632E+00  1.3043E+01
  2.3230E+02  6.6482E+02  2.4587E+02
CT             103   12.011000    0.145000
 -1.0296E+01 -1.1342E+01 -9.2398E-01
 -9.9022E-01 -9.6622E-01  2.7912E-01
  1.4232E+03 -1.2499E+03 -5.3068E+03
OH             104    0.000000   -0.683000
 -1.1287E+01 -1.0462E+01 -1.4040E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             105    1.008000    0.418000
 -1.2047E+01 -1.0566E+01 -8.5211E-01
 -1.6195E-01  3.2504E+01  7.9204E+00
  6.0669E+01  2.6092E+03 -9.3673E+02
HC             106    1.008000    0.040000
 -9.5767E+00 -1.1356E+01 -1.7432E+00
 -5.0631E+00  6.5366E+00 -3.5322E+00
  6.8967E+02 -8.7008E+02  2.3120E+02
HC             107    1.008000    0.040000
 -1.0752E+01 -1.2332E+01 -9.0046E-01
 -9.5523E+00  2.0914E+00 -1.8513E+01
  9.4422E+02  1.5901E+02  1.2356E+03
HC             108    1.008000    0.040000
 -9.7244E+00 -1.1047E+01 -4.3673E-02
 -5.1028E+00  8.7403E+00 -1.7447E-01
 -2.3305E+03  4.9753E+02  8.6683E+02
CT             109   12.011000    0.145000
  2.2753E+00 -9.1252E+00  1.6219E+01
 -5.4345E-01  2.5946E+00 -4.2572E+00
  2.2639E+03 -7.4768E+03  1.3409E+03
OH             110    0.000000   -0.683000
  9.5353E-01 -9.6021E+00  1.6103E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             111    1.008000    0.418000
  7.2288E-01 -9.5906E+00  1.5186E+01
 -1.3680E+01 -9.4627E+00  3.0120E+00
  1.5392E+03  1.4664E+03  1.0638E+02
HC             112    1.008000    0.040000
  2.6951E+00 -8.2764E+00  1.5679E+01
  9.0976E+00  2.4517E+00  2.7497E+00
 -3.7797E+03  1.7324E+03  1.3090E+03
HC             113    1.008000    0.040000
  2.9044E+00 -9.9235E+00  1.5825E+01
 -1.8506E+01 -7.9901E+00 -1.2781E+01
 -8.4320E+02 -6.6824E+02 -3.8610E+02
HC             114    1.008000    0.040000
  2.5289E+00 -9.1032E+00  1.7279E+01
  5.6419E+00  2.4184E+01 -5.7066E+00
  3.9911E+02  2.7848E+03 -2.2716E+02
CT             115   12.011000    0.145000
 -1.0798E-01 -2.0021E+01  9.9135E+00
 -5.8624E-01 -9.6727E+00  3.7479E+00
  1.8170E+03 -2.7735E+03  7.0844E+03
OH             116    0.000000   -0.683000
  1.2656E+00 -2.0197E+01  9.6475E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             117    1.008000    0.418000
  1.3446E+00  1.9832E+01  9.2900E+00
  9.5691E+00 -5.7865E+00  1.5216E+01
 -2.8881E+02  2.4869E+02  3.2810E+02
HC             118    1.008000    0.040000
 -3.2561E-01  1.9898E+01  1.0337E+01
 -1.3231E+01  3.0911E-01  2.1739E+01
 -2.3383E+03  9.9390E+02  1.2536E+03
HC             119    1.008000    0.040000
 -9.0869E-01 -1.9838E+01  9.1970E+00
  1.3358E+01 -4.5286E+00 -1.1136E+01
  3.6667E+03  9.5576E+02 -2.9344E+03
HC             120    1.008000    0.040000
 -9.7025E-02 -1.9253E+01  1.0686E+01
  7.7955E+00  2.0932E+01 -2.4479E+01
 -2.4411E+03 -1.6459E+02 -1.5999E+03
CT             121   12.011000    0.145000
  7.5762E+00 -1.6439E+01 -7.3230E+00
 -1.0976E+00 -1.9619E+00 -2.8455E+00
 -4.5887E+03  3.5389E+03  3.7169E+03
OH             122    0.000000   -0.683000
  7.7262E+00 -1.5310E+01 -8.1545E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             123    1.008000    0.418000
  6.8764E+00 -1.4901E+01 -8.1010E+00
 -3.2989E+00 -7.3435E+00  5.6865E+00
  2.3986E+02  2.5506E+02 -3.1967E+02
HC             124    1.008000    0.040000
  7.9473E+00 -1.7430E+01 -7.5857E+00
  7.7264E+00  2.8721E-01  7.6994E-01
  1.1775E+03  1.4825E+03 -1.6654E+03
HC             125    1.008000    0.040000
  6.5018E+00 -1.6477E+01 -7.1433E+00
  2.7259E+00  1.4365E-02  2.4789E+01
  4.6554E+02 -2.4674E+03  2.6084E+02
HC             126    1.008000    0.040000
  7.9615E+00 -1.6162E+01 -6.3417E+00
  1.3105E+01 -7.0749E+00 -6.7301E+00
  6.9658E+02 -1.2703E+03  1.7039E+02
CT             127   12.011000    0.145000
  1.9936E+00  9.7384E+00  1.0070E+01
 -3.6549E+00  1.4664E+00  6.5052E+00
  3.2731E+03 -1.6349E+03  1.7543E+03
OH             128    0.000000   -0.683000
  1.5292E+00  8.4074E+00  1.0100E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             129    1.008000    0.418000
  8.7288E-01  8.2835E+00  1.0768E+01
 -5.6693E+00  2.1135E+01 -9.2939E-01
  2.5691E+02  3.0255E+03  4.3344E+02
HC             130    1.008000    0.040000
  3.0129E+00  9.6036E+00  1.0431E+01
  9.1019E+00  2.6252E+00 -2.5689E+01
 -4.7808E+02  1.7300E+03 -3.2016E+02
HC             131    1.008000    0.040000
  1.5591E+00  1.0521E+01  1.0692E+01
  9.7110E+00 -5.2554E+00  2.5215E+01
 -2.0392E+03 -2.4000E+03  3.3584E+02
HC             132    1.008000    0.040000
  2.1756E+00  1.0054E+01  9.0422E+00
  2.2525E+00 -3.4841E+01 -5.0367E+00
 -1.2128E+03 -2.1883E+03  4.8445E+02
CT             133   12.011000    0.145000
 -1.9189E+01  5.3015E-01 -1.4278E+01
 -1.2423E+00 -2.8250E+00  6.1224E+00
 -9.8344E+02 -1.8765E+03  2.5652E+03
OH             134    0.000000   -0.683000
  2.0330E+01  7.3558E-01 -1.4471E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             135    1.008000    0.418000
  1.9957E+01 -7.0363E-02 -1.4794E+01
 -3.4677E+01  1.9470E+01 -1.4046E+01
  2.3198E+01  2.2036E+03 -5.6092E+02
HC             136    1.008000    0.040000
 -1.8684E+01  3.3831E-01 -1.5225E+01
 -6.4588E+00  8.1282E-01  2.5479E+00
  4.4624E+02  1.0961E+03  2.9737E+02
HC             137    1.008000    0.040000
 -1.9111E+01 -3.6378E-01 -1.3659E+01
  6.8938E+00  2.7401E+00  1.3385E+01
  1.6112E+03  1.6346E+02  3.1864E+02
HC             138    1.008000    0.040000
 -1.8772E+01  1.3757E+00 -1.3730E+01
  9.2699E-02  3.8654E+00 -4.9188E+00
  1.2015E+03 -1.2093E+02 -1.0253E+03
CT             139   12.011000    0.145000
 -9.7527E+00  1.7410E+00 -1.8606E+01
  1.0221E-01 -7.0600E-01  1.5681E+00
 -2.5713E+02 -1.9101E+03 -2.6218E+03
OH             140    0.000000   -0.683000
 -8.3486E+00  1.6877E+00 -1.8723E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             141    1.008000    0.418000
 -8.1401E+00  1.7037E+00 -1.9645E+01
  4.0160E+00  5.5597E+00  9.5334E-01
  5.2860E+02 -1.3763E+03  1.7612E+02
HC             142    1.008000    0.040000
 -1.0074E+01  2.0097E+00 -1.7599E+01
  1.8226E+01 -2.5529E+01  1.5097E+01
  2.0190E+02  2.1148E+03 -2.2198E+03
HC             143    1.008000    0.040000
 -1.0192E+01  7.6388E-01 -1.8807E+01
 -7.9353E+00  4.5290E+00 -7.1555E+00
 -4.3533E+01  9.5275E+01 -6.7896E+02
HC             144    1.008000    0.040000
 -9.9792E+00  2.4055E+00 -1.9440E+01
  5.8572E+00  5.5339E+00  4.8778E+00
 -3.4285E+03  9.9102E+02  1.7917E+03
CT             145   12.011000    0.145000
 -1.2099E+01  1.9187E+01 -1.9015E+01
 -8.3332E-01 -4.1113E+00 -4.4144E-02
 -4.6609E+03 -2.9966E+03  1.9747E+03
OH             146    0.000000   -0.683000
 -1.1509E+01  1.9058E+01 -1.7741E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             147    1.008000    0.418000
 -1.0800E+01  1.8445E+01 -1.7855E+01
  1.3992E+01  1.1631E+01  1.8632E+01
 -3.4856E+02  6.3788E+02  1.9075E+02
HC             148    1.008000    0.040000
 -1.2564E+01  1.8215E+01 -1.9181E+01
 -1.1270E+01  4.0143E-01  1.9019E+00
  2.6054E+03 -8.4355E+02 -2.7628E+03
HC             149    1.008000    0.040000
 -1.1313E+01  1.9473E+01 -1.9714E+01
  1.6896E+00 -2.8443E+00  3.2874E+00
 -2.1208E+03 -8.7603E+01 -1.6127E+03
HC             150    1.008000    0.040000
 -1.2996E+01  1.9802E+01 -1.9102E+01
  1.6856E+01  2.1024E+01 -2.0478E+01
  2.7962E+03  2.9952E+03  4.3823E+02
CT             151   12.011000    0.145000
  1.4269E+01  8.7246E+00 -1.7999E+01
 -6.9256E+00  2.1580E-01  1.9314E+00
 -3.5457E+03  2.3549E+02  4.3585E+02
OH             152    0.000000   -0.683000
  1.3932E+01  7.9924E+00 -1.9155E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             153    1.008000    0.418000
  1.3196E+01  8.5110E+00 -1.9443E+01
  7.4935E+00  1.0459E+01 -8.9056E-01
 -2.4181E+02 -1.7166E+03 -1.6017E+03
HC             154    1.008000    0.040000
  1.3287E+01  9.0228E+00 -1.7632E+01
 -9.2749E+00 -1.5446E+01  9.1953E+00
  6.9810E+02  7.3404E+02  1.2172E+03
HC             155    1.008000    0.040000
  1.4869E+01  9.6104E+00 -1.8209E+01
  1.8033E+01 -1.1551E+01  1.8604E+01
  7.5619E+02 -1.3914E+03  9.9713E+02
HC             156    1.008000    0.040000
  1.4709E+01  8.1782E+00 -1.7164E+01
  1.2621E+01  2.3756E+01  8.2155E+00
  1.7385E+03  6.4695E+02 -1.6094E+03
CT             157   12.011000    0.145000
 -1.9177E+01 -1.8721E+01 -2.8956E+00
 -1.8928E-02 -2.7081E-01  8.9348E-01
 -2.8711E+02  6.8184E+03 -5.2253E+03
OH             158    0.000000   -0.683000
  2.0318E+01 -1.8820E+01 -2.9562E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             159    1.008000    0.418000
  2.0072E+01 -1.8282E+01 -2.2188E+00
  1.3233E+01  1.7060E+01 -7.3210E+00
 -1.9258E+03 -1.4974E+03 -5.3295E+02
HC             160    1.008000    0.040000
 -1.8922E+01 -1.8527E+01 -3.9373E+00
 -1.6028E+01 -8.2913E+00 -4.8657E+00
  1.7069E+03 -3.1259E+03 -3.3729E+02
HC             161    1.008000    0.040000
 -1.8634E+01 -1.9529E+01 -2.4051E+00
 -3.0992E+01 -1.1496E+01  1.9670E+01
 -1.6274E+03  1.0060E+03 -5.6802E+02
HC             162    1.008000    0.040000
 -1.8982E+01 -1.7738E+01 -2.4682E+00
  8.4341E-01 -4.6913E+00  1.0956E+01
  1.7372E+03 -1.1359E+03  2.7091E+03
CT             163   12.011000    0.145000
 -1.5920E+01 -2.0159E+01 -1.7025E+01
 -1.3631E+00  2.6839E-01  4.0095E+00
  4.0128E+03 -8.9793E+02  7.3510E+02
OH             164    0.000000   -0.683000
 -1.5562E+01 -1.8796E+01 -1.6999E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             165    1.008000    0.418000
 -1.5186E+01 -1.8625E+01 -1.6150E+01
 -4.3891E+00  1.0782E+01 -6.3482E-02
 -2.1147E+03  9.3543E+02  6.6646E+02
HC             166    1.008000    0.040000
 -1.6755E+01 -2.0198E+01 -1.6326E+01
  2.8986E+00 -1.0362E+01  8.7306E+00
 -7.1275E+01 -4.3462E+03 -7.0791E+02
HC             167    1.008000    0.040000
 -1.5026E+01  2.0235E+01 -1.6661E+01
 -1.2735E+01 -2.2785E+01  1.7632E+00
 -1.8355E+03 -2.5379E+03  9.4488E+02
HC             168    1.008000    0.040000
 -1.6064E+01  2.0422E+01 -1.8057E+01
  9.0103E+00  8.9704E+00 -3.2401E-01
 -1.9794E+03 -1.0150E+02  7.0643E+02
CT             169   12.011000    0.145000
 -7.1542E+00  1.4690E+01  2.1495E+00
  6.9975E+00 -4.0402E+00 -3.7229E+00
 -1.0522E+03  4.8922E+02  3.1369E+03
OH             170    0.000000   -0.683000
 -6.3232E+00  1.5739E+01  2.5953E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             171    1.008000    0.418000
 -6.8179E+00  1.6494E+01  2.8733E+00
  8.5516E-01 -2.1782E+00  7.6736E+00
 -2.2085E+03 -1.7507E+03  6.3260E+02
HC             172    1.008000    0.040000
 -7.2973E+00  1.4073E+01  3.0362E+00
  7.2405E+00  1.3420E+01  9.0064E+00
 -2.2611E+03  1.2846E+03  3.3374E+02
HC             173    1.008000    0.040000
 -6.8707E+00  1.3933E+01  1.4188E+00
 -1.0709E+01 -1.4198E+01 -6.4781E-01
  3.1814E+03  2.3470E+03  2.1900E+02
HC             174    1.008000    0.040000
 -8.0780E+00  1.5135E+01  1.7797E+00
  1.4837E+01  1.9908E+01  3.6420E+00
  4.4402E+01 -2.8534E+02  1.4073E+03
CT             175   12.011000    0.145000
 -3.0511E+00  7.2731E+00  1.6815E+01
  1.1839E-01 -8.3354E-01 -2.2991E+00
  2.6649E+03  5.9546E+02  5.4651E+02
OH             176    0.000000   -0.683000
 -3.2162E+00  8.5876E+00  1.6333E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             177    1.008000    0.418000
 -3.0626E+00  9.2793E+00  1.6958E+01
  4.4460E+00  7.2710E+00 -8.8921E+00
 -3.0997E+02 -3.6301E+03  3.3974E+03
HC             178    1.008000    0.040000
 -2.0280E+00  7.0654E+00  1.7129E+01
 -3.8313E+00 -9.4516E+00  5.3557E+00
 -1.8071E+02  7.1783E+02  1.3939E+03
HC             179    1.008000    0.040000
 -3.1969E+00  6.6754E+00  1.5915E+01
 -5.3076E+00  6.3393E+00 -6.2917E+00
 -2.3492E+03 -2.1081E+03  2.0815E+03
HC             180    1.008000    0.040000
 -3.7716E+00  7.1645E+00  1.7626E+01
 -1.7010E+01  1.6634E+01 -1.4269E+01
  1.5258E+02 -2.0668E+03 -1.3336E+03
CT             181   12.011000    0.145000
  1.0804E+01  1.8522E+01 -3.5727E+00
  1.9830E+00 -6.6220E+00 -1.3433E+00
  4.7968E+02 -3.2704E+03 -5.5345E+02
OH             182    0.000000   -0.683000
  9.9771E+00  1.8069E+01 -2.5243E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             183    1.008000    0.418000
  1.0471E+01  1.7846E+01 -1.7505E+00
 -1.0992E+01  1.1250E+01  1.0738E+01
 -1.4772E+02  7.4681E+02 -1.1884E+02
HC             184    1.008000    0.040000
  1.1479E+01  1.7758E+01 -3.9581E+00
 -4.3997E-01 -4.7676E+00 -9.4583E+00
  4.5224E+02 -5.1075E+02  1.4986E+03
HC             185    1.008000    0.040000
  1.1400E+01  1.9401E+01 -3.3252E+00
 -1.1475E+01  6.9464E+00 -1.4882E+01
 -1.6858E+03  6.1311E+02 -6.1351E+02
HC             186    1.008000    0.040000
  1.0069E+01  1.8676E+01 -4.3624E+00
 -3.0672E+00  1.4903E+00  4.7721E+00
  1.4386E+03  3.1914E+03 -5.6643E+02
CT             187   12.011000    0.145000
  1.0596E+01 -8.3958E+00  6.1985E+00
 -2.1788E+00  6.8282E-01 -1.4411E-01
  5.6398E+02 -4.0335E+02 -5.3471E+02
OH             188    0.000000   -0.683000
  1.1016E+01 -7.1890E+00  5.6026E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             189    1.008000    0.418000
  1.0276E+01 -6.9107E+00  5.0854E+00
  1.3487E+01  1.5274E+01 -1.2179E+01
  4.4269E+02  3.7607E+02  6.3948E+02
HC             190    1.008000    0.040000
  1.0013E+01 -8.2174E+00  7.1023E+00
  9.9116E-01  1.8257E+01 -1.2157E+00
 -1.5881E+02  6.5873E+02 -6.1964E+02
HC             191    1.008000    0.040000
  1.1444E+01 -9.0303E+00  6.4545E+00
 -4.4466E+00  2.3987E-01  6.4684E+00
 -8.8564E+01 -1.5534E+02 -8.7706E+01
HC             192    1.008000    0.040000
  9.9564E+00 -8.8669E+00  5.4520E+00
 -9.2304E+00  4.5275E+00  3.3666E+00
  2.8811E+02 -1.8536E+03  1.0392E+03
CT             193   12.011000    0.145000
 -1.1981E+01 -5.2542E-01  1.9655E+01
  3.0512E-01  4.4190E-01 -1.5133E+00
 -5.4915E+01 -8.6660E+02  3.0819E+03
OH             194    0.000000   -0.683000
 -1.1976E+01  8.2734E-01  2.0053E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             195    1.008000    0.418000
 -1.1913E+01  1.3026E+00  1.9238E+01
 -7.9965E+00  1.0463E+01  5.2394E+00
 -2.3042E+03  1.5108E+03  7.8339E+02
HC             196    1.008000    0.040000
 -1.2192E+01 -1.1027E+00 -2.0345E+01
 -3.2767E+00 -1.3805E+01 -1.1147E+01
 -1.2965E+03 -1.2346E+03 -9.9703E+02
HC             197    1.008000    0.040000
 -1.1040E+01 -9.2268E-01  1.9273E+01
 -1.5114E+00  4.3531E+00 -1.0303E+01
  5.3410E+02  1.8645E+03 -2.7232E+02
HC             198    1.008000    0.040000
 -1.2715E+01 -6.8299E-01  1.8865E+01
  7.5096E+00  1.0262E+01 -1.0458E+01
 -5.0341E+02 -4.1785E+02  1.1617E+03
CT             199   12.011000    0.145000
  1.8534E+01  1.3147E+01 -1.9417E+01
 -1.3813E+00  4.6015E+00  1.0701E-01
 -5.3085E+02  2.8564E+02  2.1862E+03
OH             200    0.000000   -0.683000
  1.9836E+01  1.3524E+01 -1.9027E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             201    1.008000    0.418000
  1.9851E+01  1.4428E+01 -1.9300E+01
 -2.2606E+01 -3.9960E+00 -1.7524E+01
  6.7971E+02 -9.7976E+02  6.5488E+01
HC             202    1.008000    0.040000
  1.8298E+01  1.2225E+01 -1.8886E+01
  1.5276E+01 -4.5871E-01 -6.9800E-01
  1.0892E+03 -6.8102E+02 -9.4827E+02
HC             203    1.008000    0.040000
  1.8406E+01  1.2978E+01  2.0414E+01
 -1.5507E+01 -1.4959E-02  2.3194E+00
  7.4739E+02 -8.8674E+01  3.5869E+02
HC             204    1.008000    0.040000
  1.7783E+01  1.3893E+01 -1.9156E+01
 -5.7127E+00 -5.5601E-01  2.5788E+00
  1.3113E+03  1.1707E+03  4.1361E+02
CT             205   12.011000    0.145000
 -1.9071E+01 -3.1246E+00 -1.0970E+01
 -5.0811E-01  2.4041E+00  2.1488E+00
  4.3058E+03  1.7615E+03  3.0129E+03
OH             206    0.000000   -0.683000
 -1.9355E+01 -4.0802E+00 -9.9725E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             207    1.008000    0.418000
 -2.0296E+01 -4.1279E+00 -1.0044E+01
 -1.0776E+00  7.2638E+00  7.7519E+00
 -4.0408E+02  4.6425E+02  4.9543E+03
HC             208    1.008000    0.040000
 -1.8030E+01 -2.8430E+00 -1.0816E+01
 -6.2134E-01 -3.2566E+00  1.4492E+01
  8.0806E+01  6.9664E+02 -3.4097E+02
HC             209    1.008000    0.040000
 -1.9636E+01 -2.2503E+00 -1.0645E+01
  1.2712E+01  9.5908E+00  6.5253E+00
 -8.1177E+02  5.5950E+02 -4.1787E+03
HC             210    1.008000    0.040000
 -1.9163E+01 -3.5795E+00 -1.1956E+01
  7.3753E+00 -1.5378E+01  9.1840E+00
 -1.9560E+03  2.2082E+03  1.9874E+02
CT             211   12.011000    0.145000
  1.5737E+01  2.5754E+00 -1.3573E+01
  4.2525E+00  3.1225E+00  4.4314E+00
 -3.1908E+03  2.4944E+02 -6.9070E+01
OH             212    0.000000   -0.683000
  1.5443E+01  1.5903E+00 -1.2608E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             213    1.008000    0.418000
  1.6299E+01  1.2131E+00 -1.2476E+01
  3.0980E+00  8.2844E+00  4.3092E+00
 -9.5869E+02 -1.4203E+03  1.0499E+03
HC             214    1.008000    0.040000
  1.4918E+01  3.2904E+00 -1.3655E+01
  1.7659E+00  4.0115E-01  5.3590E+00
 -2.6123E+03 -2.7629E+03 -9.6236E+02
HC             215    1.008000    0.040000
  1.5947E+01  2.1793E+00 -1.4566E+01
  2.6986E-01  5.1950E+00  2.7382E+00
 -7.2032E+02 -1.3634E+03  4.8622E+02
HC             216    1.008000    0.040000
  1.6449E+01  3.3915E+00 -1.3453E+01
 -2.1978E+00  7.7816E+00  1.2064E+01
  3.3999E+03 -4.0939E+03  3.9952E+03
CT             217   12.011000    0.145000
  1.2114E+01  2.5112E+00 -4.0858E+00
  6.1792E+00 -7.6697E-01 -1.8194E+00
  1.1889E+03  8.4634E+02  2.2607E+03
OH             218    0.000000   -0.683000
  1.2149E+01  1.2690E+00 -3.4197E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             219    1.008000    0.418000
  1.2724E+01  6.5643E-01 -3.8519E+00
 -1.1917E+01 -2.8128E+01  2.0837E+01
 -2.7490E+03  2.0507E+02 -8.1580E+02
HC             220    1.008000    0.040000
  1.3012E+01  3.0702E+00 -3.8249E+00
  1.4620E+01 -1.4248E+01 -1.0379E+00
  5.5712E+02 -1.1453E+03  5.4159E+02
HC             221    1.008000    0.040000
  1.1326E+01  3.2451E+00 -3.9161E+00
  1.8652E+01  1.3343E+01 -2.8393E+00
 -1.1047E+03 -3.3292E+03  5.1457E+03
HC             222    1.008000    0.040000
  1.2054E+01  2.6836E+00 -5.1604E+00
  1.6674E+01  1.3954E+01 -3.4905E-01
  1.7309E+03 -6.6088E+03 -2.7152E+02
CT             223   12.011000    0.145000
 -1.3415E+01 -1.6106E+01  1.5645E+01
 -7.5989E-01  1.5739E-01  3.6263E-01
  1.7440E+03 -2.1397E+03 -1.8122E+03
OH             224    0.000000   -0.683000
 -1.3845E+01 -1.5465E+01  1.4464E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             225    1.008000    0.418000
 -1.4373E+01 -1.4757E+01  1.4800E+01
 -5.4475E+00  4.3682E+00 -1.6779E+01
  7.5188E+02  9.2482E+02 -1.4837E+03
HC             226    1.008000    0.040000
 -1.2953E+01 -1.6984E+01  1.5194E+01
  2.6861E+00 -6.0533E-03  4.1557E+00
  2.7516E+03 -5.6418E+02  3.2136E+03
HC             227    1.008000    0.040000
 -1.4078E+01 -1.6493E+01  1.6418E+01
  3.7223E+00  8.0613E-01  4.5773E+00
 -3.8237E+03  3.5605E+02 -3.5717E+03
HC             228    1.008000    0.040000
 -1.2732E+01 -1.5524E+01  1.6264E+01
  1.4969E+01  8.1288E+00 -2.3065E+01
  1.8681E+03  7.1765E+02 -3.5983E+03
CT             229   12.011000    0.145000
 -1.5762E+01 -1.2836E+01 -9.7194E+00
  2.3137E+00  3.3411E+00 -1.9983E+00
 -5.1467E+03  2.3401E+03 -6.0671E+03
OH             230    0.000000   -0.683000
 -1.6385E+01 -1.1901E+01 -8.8675E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             231    1.008000    0.418000
 -1.6143E+01 -1.2120E+01 -7.9806E+00
  2.0149E+01  1.3334E+01 -1.5605E+00
  3.4273E+02  6.4669E+01 -7.0547E+02
HC             232    1.008000    0.040000
 -1.6405E+01 -1.3713E+01 -9.6445E+00
 -1.0108E+01  1.1742E+01 -6.8507E+00
  2.4926E+03 -1.4298E+03 -7.2345E+02
HC             233    1.008000    0.040000
 -1.4691E+01 -1.2928E+01 -9.8976E+00
  3.6254E+00  8.4376E+00  2.9475E+00
  1.5698E+02 -2.1401E+02  3.3133E+03
HC             234    1.008000    0.040000
 -1.6084E+01 -1.2248E+01 -1.0579E+01
  2.1859E+01 -1.3616E+01 -2.2173E+01
  1.4673E+03 -4.2842E+03 -3.7782E+03
CT             235   12.011000    0.145000
  5.6139E+00 -1.1566E+01  1.4088E+01
 -3.4982E+00  2.6885E+00  2.7539E+00
 -3.2244E+03  3.6991E+03  2.1901E+03
OH             236    0.000000   -0.683000
  6.6399E+00 -1.1120E+01  1.4947E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             237    1.008000    0.418000
  6.5295E+00 -1.0187E+01  1.5044E+01
  6.9525E+00  7.9767E-01  7.4333E-01
 -5.8534E+02 -2.0512E+01 -1.2222E+03
HC             238    1.008000    0.040000
  5.8171E+00 -1.1322E+01  1.3046E+01
  2.5571E+01 -3.0478E+01 -1.2337E+00
  1.5869E+03 -4.0162E+03  7.2079E+02
HC             239    1.008000    0.040000
  4.6912E+00 -1.1023E+01  1.4292E+01
 -6.7975E+00 -4.0356E-03 -4.6434E+00
  3.5019E+02  6.5564E+02  1.4502E+03
HC             240    1.008000    0.040000
  5.2611E+00 -1.2588E+01  1.4226E+01
 -8.1208E+00 -2.4973E+00 -3.6203E+01
  2.4150E+03  1.9026E+02 -2.6476E+03
CT             241   12.011000    0.145000
  5.5814E+00 -7.1468E+00 -9.6360E+00
 -2.1946E+00 -8.2050E-01 -2.0844E+00
 -3.9985E+03 -8.0645E+02 -4.6100E+03
OH             242    0.000000   -0.683000
  6.5422E+00 -7.8924E+00 -1.0349E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             243    1.008000    0.418000
  7.2039E+00 -7.5638E+00 -9.7602E+00
  2.3854E+01 -1.7502E+01 -1.5152E+01
  6.7299E+03 -4.0999E+03 -5.3405E+03
HC             244    1.008000    0.040000
  5.7210E+00 -6.0679E+00 -9.7042E+00
 -2.9083E+00 -3.3886E-01  3.5942E+00
  2.4022E+03 -4.0180E+02  4.9614E+02
HC             245    1.008000    0.040000
  5.6314E+00 -7.4405E+00 -8.5876E+00
 -1.2099E+01 -2.4619E+00 -1.9751E+00
 -1.4456E+03  1.9129E+02 -3.2033E+02
HC             246    1.008000    0.040000
  4.5395E+00 -7.2203E+00 -9.9480E+00
  1.2411E+00 -1.0473E+01 -1.1932E+01
  2.1387E+02 -2.9145E+03 -1.3358E+03
CT             247   12.011000    0.145000
 -2.0076E+01  1.4589E+01 -6.6268E-01
  4.1706E+00 -7.8756E-01 -6.2619E+00
  1.0125E+03 -7.6749E+01  1.5629E+02
OH             248    0.000000   -0.683000
 -1.9372E+01  1.5765E+01 -3.3254E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             249    1.008000    0.418000
 -1.9823E+01  1.6224E+01  3.5964E-01
  2.2644E+01 -3.5626E+00  1.8374E+01
  2.4118E+03 -9.9431E+02  1.4377E+03
HC             250    1.008000    0.040000
  1.9774E+01  1.4727E+01 -9.1859E-01
 -3.3430E+00  1.4845E+01  2.7413E+01
  1.0429E+03  2.1923E+03  1.6823E+03
HC             251    1.008000    0.040000
 -2.0169E+01  1.3973E+01  2.3204E-01
 -4.5587E+01  2.8117E+01  1.2566E+01
  8.4954E+02  1.2539E+03 -3.5058E+03
HC             252    1.008000    0.040000
 -1.9588E+01  1.4117E+01 -1.5155E+00
  1.3579E+01 -3.0128E+01  1.3780E+01
  5.7896E+02 -1.5588E+03  2.3183E+03
CT             253   12.011000    0.145000
 -1.7594E+01 -8.1810E+00 -1.6034E+01
  2.9846E-01 -8.1856E-01  3.2851E-01
  8.1897E+01  1.1988E+03  4.4248E+03
OH             254    0.000000   -0.683000
 -1.6259E+01 -7.7490E+00 -1.6173E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             255    1.008000    0.418000
 -1.6089E+01 -7.1681E+00 -1.5447E+01
 -1.0718E+01  7.4084E+00 -3.1695E+00
 -6.0960E+02  1.0240E+03 -8.3991E+02
HC             256    1.008000    0.040000
 -1.7726E+01 -8.7780E+00 -1.5131E+01
  2.8199E+01 -5.5021E+00  2.1917E+00
  2.5521E+03 -7.2361E+02 -3.9183E+02
HC             257    1.008000    0.040000
 -1.8018E+01 -8.7592E+00 -1.6855E+01
 -7.5740E+00  1.3684E+01 -6.2043E+00
  1.5295E+03  1.2576E+03 -8.9275E+02
HC             258    1.008000    0.040000
 -1.8243E+01 -7.3503E+00 -1.5758E+01
  5.7816E+00 -3.5005E+00  2.3318E+01
  5.6421E+02  5.0834E+02 -2.6561E+03
CT             259   12.011000    0.145000
  8.0872E+00  8.0356E+00  7.5637E+00
  9.7856E-01  6.9742E-01  4.2973E-02
  2.3884E+03  2.4728E+03 -8.8643E+02
OH             260    0.000000   -0.683000
  7.3683E+00  8.9966E+00  8.3039E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             261    1.008000    0.418000
  6.5497E+00  8.5920E+00  8.5472E+00
 -9.8148E+00  9.7482E+00 -1.5088E+01
  1.2947E+03 -2.0762E+03 -1.1492E+03
HC             262    1.008000    0.040000
  8.8599E+00  8.6114E+00  7.0543E+00
 -1.6822E+01 -3.1392E+00 -3.4257E+01
  1.1209E+02 -2.6774E+03 -7.2598E+02
HC             263    1.008000    0.040000
  7.4581E+00  7.6549E+00  6.7591E+00
  1.2998E+00  1.1512E+00 -4.2361E-01
  6.0875E+02 -1.1358E+03  2.5098E+02
HC             264    1.008000    0.040000
  8.5191E+00  7.2174E+00  8.1400E+00
 -1.9790E+01 -1.6114E+01 -6.9343E+00
 -1.8315E+03 -9.4312E+01 -3.6239E+00
CT             265   12.011000    0.145000
 -1.3266E+01  2.9245E+00  1.7302E+01
 -1.0043E+01 -6.1863E+00  6.1539E+00
 -3.9252E+03 -4.3202E+03 -4.4076E+03
OH             266    0.000000   -0.683000
 -1.2501E+01  1.7406E+00  1.7332E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             267    1.008000    0.418000
 -1.2949E+01  1.1531E+00  1.6743E+01
 -1.4348E+01 -5.2135E+00  1.5314E+01
 -3.6400E+01  1.6977E+02  5.9981E+02
HC             268    1.008000    0.040000
 -1.4285E+01  2.7011E+00  1.7618E+01
 -1.3800E+01  1.0060E+00 -5.3939E-01
  2.0004E+02  1.5068E+03  2.1739E+03
HC             269    1.008000    0.040000
 -1.3439E+01  3.0362E+00  1.6232E+01
 -1.8032E+01  2.6630E+01  9.7938E+00
  1.3492E+03  5.3245E+03  4.4734E+02
HC             270    1.008000    0.040000
 -1.2828E+01  3.7940E+00  1.7792E+01
 -1.4352E+01  1.0319E+00 -2.5070E+00
 -4.6577E+02  9.3350E+01 -1.2662E+03
CT             271   12.011000    0.145000
  1.9912E+01  4.2791E+00  1.5227E+01
 -2.5166E+00 -4.7828E+00 -6.7637E+00
  2.8490E+03 -7.9280E+02  2.9257E+02
OH             272    0.000000   -0.683000
 -2.0327E+01  5.1727E+00  1.4360E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             273    1.008000    0.418000
  1.9848E+01  5.4896E+00  1.3845E+01
 -3.0895E+00  2.3741E+00  5.7141E+00
  1.0286E+03 -1.4261E+03 -2.0601E+03
HC             274    1.008000    0.040000
  1.9911E+01  3.2686E+00  1.4819E+01
  7.7224E+00 -9.7070E+00  4.7429E+00
  1.7472E+02  2.0769E+02  1.2985E+01
HC             275    1.008000    0.040000
  1.8890E+01  4.5489E+00  1.5495E+01
  3.4788E+00  1.5630E+01 -2.6968E+00
  6.6720E+02  1.3884E+03 -1.1960E+03
HC             276    1.008000    0.040000
  2.0404E+01  4.2327E+00  1.6199E+01
 -1.1168E+01  7.3543E-01 -1.9816E+00
  1.0059E+03 -3.1232E+02 -5.5536E+02
CT             277   12.011000    0.145000
  5.0659E+00 -7.3172E+00 -1.4111E+01
 -2.2935E+00  8.0727E+00  1.0929E-01
 -9.2682E+02 -9.3998E+03  7.1348E+02
OH             278    0.000000   -0.683000
  4.4710E+00 -7.4777E+00 -1.5379E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             279    1.008000    0.418000
  3.7853E+00 -8.1277E+00 -1.5396E+01
  8.7477E+00 -9.4256E+00 -1.4421E+01
  1.5456E+03 -7.6841E+02  5.1367E+03
HC             280    1.008000    0.040000
  4.3518E+00 -7.5122E+00 -1.3311E+01
  1.1958E+01  1.8860E+00  1.1792E+01
  8.2432E+01  5.4469E+03  1.0227E+03
HC             281    1.008000    0.040000
  5.7778E+00 -6.4941E+00 -1.4050E+01
  9.9598E+00 -2.6128E+00  6.2621E+00
 -1.0233E+03 -5.3918E+02  2.5946E+03
HC             282    1.008000    0.040000
  5.6069E+00 -8.2526E+00 -1.3968E+01
  1.2982E+01  1.8252E+01  1.2338E+01
  3.3599E+03  1.4315E+03 -4.3762E+00
CT             283   12.011000    0.145000
  7.5048E-01  1.9412E+01 -1.3766E+01
 -8.6730E-01 -2.4221E+00  3.1156E+00
 -8.1642E+02 -1.7300E+03  1.9382E+03
OH             284    0.000000   -0.683000
 -4.3160E-01  2.0144E+01 -1.3531E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             285    1.008000    0.418000
 -8.1959E-01  1.9854E+01 -1.2720E+01
  7.7592E+00 -2.0750E+00  3.0596E+00
  1.0212E+03  1.3663E+03  9.1521E+02
HC             286    1.008000    0.040000
  5.4432E-01  1.8351E+01 -1.3905E+01
 -1.7915E+01  3.0904E+00 -1.9697E+01
 -1.3967E+03  8.7184E+02 -1.1197E+03
HC             287    1.008000    0.040000
  1.3923E+00  1.9465E+01 -1.2887E+01
 -6.2241E+00  7.2270E+00  6.5946E+00
  2.8316E+02  2.0530E+03 -3.1164E+02
HC             288    1.008000    0.040000
  1.2366E+00  1.9732E+01 -1.4688E+01
 -2.0862E+01 -5.8204E+00 -9.2222E+00
 -2.3059E+02  3.4852E+02  8.9938E+02
CT             289   12.011000    0.145000
 -1.5935E+01  5.3106E+00 -1.6519E+01
  2.4058E-01  1.8552E-01 -2.0596E+00
 -1.0956E+04  1.0291E+02 -2.7253E+03
OH             290    0.000000   -0.683000
 -1.5923E+01  3.9060E+00 -1.6642E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             291    1.008000    0.418000
 -1.5157E+01  3.7314E+00 -1.6117E+01
 -2.5414E+00 -9.1924E+00  8.2305E-01
 -5.6285E+02 -2.6486E+03 -6.7813E+01
HC             292    1.008000    0.040000
 -1.5234E+01  5.9493E+00 -1.7057E+01
 -2.5175E+00  1.5754E+00 -4.0277E+00
  1.4627E+03 -2.4846E+03  6.2256E+01
HC             293    1.008000    0.040000
 -1.6111E+01  5.6415E+00 -1.5496E+01
  1.6798E+01 -5.8702E+00  3.0799E+00
  2.6670E+03 -3.9776E+02  4.1689E+02
HC             294    1.008000    0.040000
 -1.6885E+01  5.4756E+00 -1.7027E+01
  4.6300E+00 -1.6022E+01 -1.6500E+01
  2.4855E+02  1.7361E+03 -7.3929E+02
CT             295   12.011000    0.145000
  1.9835E+01  9.7740E+00 -1.1003E+01
  4.7912E-01 -1.2285E+00  8.9972E-01
 -2.0681E+03 -4.6138E+01 -2.9811E+03
OH             296    0.000000   -0.683000
 -1.9919E+01  9.6308E+00 -1.1811E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             297    1.008000    0.418000
 -1.9293E+01  9.1882E+00 -1.1258E+01
 -4.6713E+00 -1.7647E+00  3.9447E+00
  3.8602E+02  6.7269E+02  4.1111E+00
HC             298    1.008000    0.040000
  1.9098E+01  1.0091E+01 -1.1740E+01
  3.7792E+00  2.1514E+01  6.6046E+00
 -1.5178E+03  2.0121E+03  2.4527E+03
HC             299    1.008000    0.040000
  1.9851E+01  1.0496E+01 -1.0187E+01
 -1.6904E+01  2.0101E+01 -1.6352E+01
  1.0611E+03  7.4230E+02 -2.1196E+03
HC             300    1.008000    0.040000
  1.9507E+01  8.8369E+00 -1.0552E+01
  1.9847E+01 -4.1853E+00  9.8623E+00
 -1.5453E+03  1.2137E+03 -1.7882E+01
CT             301   12.011000    0.145000
  1.7345E+01  9.9336E+00  2.2105E+00
  4.4464E+00 -2.7716E+00  1.3203E+00
  1.4077E+03 -4.1692E+03 -8.2668E+02
OH             302    0.000000   -0.683000
  1.7935E+01  1.0307E+01  9.8540E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             303    1.008000    0.418000
  1.7938E+01  9.5928E+00  3.6627E-01
  9.0694E+00  1.0672E+01 -1.2845E+01
  8.9744E+01  9.1340E+02 -5.7712E+02
HC             304    1.008000    0.040000
  1.8191E+01  9.7425E+00  2.8705E+00
  1.7487E+00  1.0330E+01  8.9312E+00
 -1.4121E+03  2.9684E+02  1.8641E+03
HC             305    1.008000    0.040000
  1.6774E+01  9.0187E+00  2.0498E+00
 -7.3972E+00  6.7965E+00 -1.4026E+01
  1.4110E+02  1.3941E+02 -1.3860E+02
HC             306    1.008000    0.040000
  1.6641E+01  1.0614E+01  2.6899E+00
  7.9394E+00 -5.8061E+00  1.0996E+01
  1.6997E+03  1.4733E+03 -6.5108E+02
CT             307   12.011000    0.145000
 -1.4437E+00 -1.8923E+01 -7.0394E+00
 -1.0407E+00  3.3717E+00  5.8989E-01
  3.7549E+03  4.0105E+03  3.8418E+03
OH             308    0.000000   -0.683000
 -7.0881E-01 -1.8503E+01 -8.1670E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             309    1.008000    0.418000
  1.1342E-01 -1.8953E+01 -8.0476E+00
 -3.5761E+00 -2.9208E+00  1.5918E+01
  1.0762E+02  8.9897E+02  4.5438E+02
HC             310    1.008000    0.040000
 -7.5395E-01 -1.8950E+01 -6.1959E+00
 -1.6348E+01 -1.8875E+01  1.3464E+01
 -4.3725E+02 -1.1026E+03  3.1922E+00
HC             311    1.008000    0.040000
 -1.9185E+00 -1.9903E+01 -7.0867E+00
 -1.6022E-02  3.4333E+00 -1.9677E+01
  1.6308E+03  4.4241E+01 -2.3102E+03
HC             312    1.008000    0.040000
 -2.2020E+00 -1.8188E+01 -6.7688E+00
 -2.3036E+01 -1.0681E+01 -1.8958E+01
 -7.9181E+02 -1.7620E+03 -1.5212E+02
CT             313   12.011000    0.145000
  2.0252E+01 -4.9125E+00 -1.9790E+01
 -2.6010E+00  1.1614E+00 -3.7698E+00
 -1.9523E+03  1.2357E+03 -2.7968E+03
OH             314    0.000000   -0.683000
  1.9259E+01 -4.3882E+00 -1.8937E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             315    1.008000    0.418000
  1.8650E+01 -3.9070E+00 -1.9476E+01
  1.2229E+01  1.0064E+01 -5.3617E+00
  2.2419E+03  3.4190E+03  6.7277E+02
HC             316    1.008000    0.040000
 -2.0036E+01 -5.6978E+00 -1.9346E+01
  1.1202E+01  6.3651E+00 -1.2908E+01
  2.3363E+03  3.1827E+03  1.3280E+03
HC             317    1.008000    0.040000
 -2.0179E+01 -3.9837E+00 -2.0115E+01
 -3.5827E+00  7.9321E+00  1.3140E+01
  3.8872E+03 -2.2128E+03  2.8965E+02
HC             318    1.008000    0.040000
  1.9931E+01 -5.4501E+00  2.0218E+01
  2.0374E+01 -1.2790E+01 -4.4531E+00
 -9.5614E+02  1.7182E+03  8.5758E+01
CT             319   12.011000    0.145000
  5.5477E+00 -1.8795E+01 -3.9410E+00
  1.2276E+00 -3.6106E+00  1.2367E+00
 -1.5628E+03  5.9038E+03 -1.7665E+03
OH             320    0.000000   -0.683000
  6.6613E+00 -1.8707E+01 -4.8013E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             321    1.008000    0.418000
  7.3160E+00 -1.8137E+01 -4.4274E+00
 -1.9037E+01  1.3707E+01  1.4476E+01
 -8.6594E+02 -1.1896E+03  1.4893E+03
HC             322    1.008000    0.040000
  4.7279E+00 -1.9321E+01 -4.4306E+00
  2.7059E-01  1.9769E+00 -3.2679E+00
  1.2105E+03 -2.9618E+03  1.7334E+03
HC             323    1.008000    0.040000
  5.0984E+00 -1.7802E+01 -3.9509E+00
  7.8288E-01 -3.5659E+00  1.2702E+01
  8.7423E+02  9.2295E+02  1.9830E+03
HC             324    1.008000    0.040000
  5.7271E+00 -1.8982E+01 -2.8823E+00
  3.7903E+00  2.8916E+01  7.5995E+00
  5.6785E+02 -9.5348E+02 -1.7959E+03
CT             325   12.011000    0.145000
 -7.6800E+00 -8.5242E+00 -4.0011E+00
 -4.4484E+00 -2.5845E+00  3.6630E+00
  2.2744E+03  1.3442E+03 -2.7661E+02
OH             326    0.000000   -0.683000
 -8.1667E+00 -7.2368E+00 -3.6947E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             327    1.008000    0.418000
 -9.1019E+00 -7.3064E+00 -3.5783E+00
  3.8990E-01 -1.0227E+01 -2.0496E+00
  1.6710E+01 -1.9744E+03 -1.3004E+03
HC             328    1.008000    0.040000
 -7.1562E+00 -8.5254E+00 -4.9569E+00
  1.0630E+01  5.5139E+00  1.1545E+01
 -2.8574E+03  1.6332E+02 -1.0726E+03
HC             329    1.008000    0.040000
 -8.4233E+00 -9.3121E+00 -3.8796E+00
 -2.2056E+01  1.2837E+01  5.4737E-01
 -4.7904E+02  1.1868E+03 -8.0371E+02
HC             330    1.008000    0.040000
 -6.8350E+00 -8.7787E+00 -3.3613E+00
 -1.5790E+01  8.5168E+00  2.4107E+01
 -1.3356E+03  6.8017E+02  1.4890E+03
CT             331   12.011000    0.145000
 -1.9005E+01  6.8417E+00  2.0093E+01
 -1.1166E-01  1.5705E+00  1.2802E-01
  2.6993E+02 -3.8457E+03 -2.5278E+03
OH             332    0.000000   -0.683000
 -2.0411E+01  6.7419E+00  2.0071E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             333    1.008000    0.418000
  2.0324E+01  5.8694E+00  2.0395E+01
 -6.7581E+00 -1.1061E+01 -2.9986E+01
 -2.2229E+03  2.1610E+03  8.7323E+02
HC             334    1.008000    0.040000
 -1.8688E+01  7.3049E+00 -1.9873E+01
  8.2452E+00  3.9222E+00 -3.7755E+00
  1.5689E+03  4.2699E+02 -1.1358E+03
HC             335    1.008000    0.040000
 -1.8553E+01  7.2201E+00  1.9176E+01
  1.5814E+01 -8.7982E+00  3.2963E+00
  2.5877E+02  2.9622E+03  1.8048E+03
HC             336    1.008000    0.040000
 -1.8655E+01  5.8100E+00  2.0060E+01
  2.4672E+00  2.2446E+00  5.3570E+00
  1.3403E+03  9.3442E+01  8.6465E+02
CT             337   12.011000    0.145000
 -2.4450E+00  1.3689E+01 -5.3353E+00
 -1.4088E+01  5.4344E-01 -1.8041E+00
  1.3856E+03  2.6547E+03 -4.3635E+03
OH             338    0.000000   -0.683000
 -2.3274E+00  1.2787E+01 -6.4130E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             339    1.008000    0.418000
 -2.0497E+00  1.3227E+01 -7.2019E+00
 -7.3823E+00  4.6518E+00 -1.0165E-01
  9.6361E+02  3.0633E+03  2.1477E+03
HC             340    1.008000    0.040000
 -1.5698E+00  1.3836E+01 -4.7025E+00
 -1.0381E+01  5.0253E+00 -7.8646E+00
  1.0501E+03 -3.7618E+03 -9.6283E+02
HC             341    1.008000    0.040000
 -3.2796E+00  1.3541E+01 -4.6499E+00
 -4.4239E+00 -1.6293E+01  7.0107E+00
  1.3205E+02 -1.7522E+03 -1.3067E+03
HC             342    1.008000    0.040000
 -2.4542E+00  1.4722E+01 -5.6826E+00
  6.4438E+00 -1.1449E+00 -8.7333E+00
 -1.6617E+03 -9.9656E+02 -2.2840E+03
CT             343   12.011000    0.145000
 -1.6862E+01 -3.8684E+00  9.2561E+00
  1.4839E+00  5.6898E-01 -1.7081E+00
  4.0802E+03 -3.4046E+02  2.9640E+03
OH             344    0.000000   -0.683000
 -1.6720E+01 -5.2323E+00  8.9275E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             345    1.008000    0.418000
 -1.5808E+01 -5.4759E+00  8.8849E+00
  3.2571E-02  1.5625E+00 -1.1265E+01
  5.8929E+02  2.9263E+03  4.2228E+03
HC             346    1.008000    0.040000
 -1.6024E+01 -3.3363E+00  8.8040E+00
  1.1592E+01 -2.0435E+01 -9.0362E+00
 -1.4212E+03  6.2593E+02 -6.7650E+02
HC             347    1.008000    0.040000
 -1.6651E+01 -3.8955E+00  1.0325E+01
  1.5947E+01  1.0332E+01 -4.0134E+00
 -9.9313E+02  2.5448E+03  2.9019E+02
HC             348    1.008000    0.040000
 -1.7862E+01 -3.5127E+00  9.0109E+00
 -3.7441E+00 -1.4574E+01 -3.3955E+00
  6.8939E+02  3.1423E+02  5.2092E+02
CT             349   12.011000    0.145000
  1.0645E+01  9.2768E+00 -3.0950E+00
  7.9715E+00 -4.8122E-01 -3.1621E+00
  1.8025E+02  9.0393E+02  1.4944E+03
OH             350    0.000000   -0.683000
  1.0627E+01  1.0667E+01 -3.3302E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             351    1.008000    0.418000
  1.0186E+01  1.1012E+01 -2.5690E+00
  2.3894E+01  1.9197E+01  6.4219E+00
  2.1537E+03  1.1128E+03 -1.9526E+02
HC             352    1.008000    0.040000
  1.1206E+01  9.1483E+00 -2.1693E+00
  1.4105E+01  2.6379E+01 -2.3298E+00
  5.1339E+02 -6.1634E+02 -1.1769E+03
HC             353    1.008000    0.040000
  1.1075E+01  8.7554E+00 -3.9506E+00
 -7.6642E+00 -6.3625E+00 -7.7736E+00
 -7.1326E+02 -5.5317E+02  4.3562E+02
HC             354    1.008000    0.040000
  9.6254E+00  8.9470E+00 -2.8980E+00
 -1.0931E+00  2.3424E+01 -6.6931E+00
  2.7810E+02  1.4022E+02 -1.7329E+03
CT             355   12.011000    0.145000
  9.2339E+00 -8.3257E+00  1.4898E+01
  1.6228E+00  1.7934E+00  7.8895E-02
 -6.9568E+02 -5.1642E+02 -6.3610E+02
OH             356    0.000000   -0.683000
  1.0222E+01 -9.2016E+00  1.4404E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             357    1.008000    0.418000
  1.0268E+01 -8.9951E+00  1.3483E+01
 -1.7483E+01  1.4070E+01  1.7296E+00
  1.5426E+02  3.5435E+03  1.1731E+03
HC             358    1.008000    0.040000
  9.6312E+00 -7.3116E+00  1.4939E+01
  9.9726E+00 -3.9563E-01 -1.7307E+01
  1.3473E+02 -5.8167E+02  8.3267E+02
HC             359    1.008000    0.040000
  8.9160E+00 -8.7030E+00  1.5869E+01
  1.3773E+01  8.4506E+00  6.8817E+00
 -8.2821E+01  1.3545E+03  2.7629E+02
HC             360    1.008000    0.040000
  8.3481E+00 -8.2774E+00  1.4264E+01
 -1.0874E+01 -6.4833E+00  1.6160E+01
  2.5902E+02 -1.1229E+03  1.4236E+02
CT             361   12.011000    0.145000
  5.1828E+00 -1.2968E+01 -8.8121E+00
 -1.1207E+00 -1.9971E+00 -2.5233E+00
 -1.9263E+02 -2.5076E+03 -3.0994E+03
OH             362    0.000000   -0.683000
  5.2197E+00 -1.4079E+01 -7.9447E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             363    1.008000    0.418000
  5.7252E+00 -1.3666E+01 -7.2611E+00
  2.0755E+01  6.5229E+00 -1.8114E+01
 -1.5675E+03 -1.8669E+03  7.4478E+02
HC             364    1.008000    0.040000
  6.1169E+00 -1.2408E+01 -8.8544E+00
  3.7643E+00 -7.6801E+00  1.8441E+01
  9.2481E+02 -2.3050E+03  9.5392E+02
HC             365    1.008000    0.040000
  4.4764E+00 -1.2173E+01 -8.5720E+00
 -7.9347E-01 -5.7648E+00  1.1824E+01
 -1.5940E+03 -2.2427E+03  1.3216E+03
HC             366    1.008000    0.040000
  4.9834E+00 -1.3334E+01 -9.8192E+00
 -1.9087E+01  1.2810E+01 -4.8961E+00
 -1.9336E+03  1.3012E+03 -9.4608E+01
CT             367   12.011000    0.145000
  1.6759E+01 -1.5211E+01 -8.2594E+00
  1.5416E+00 -1.9070E+00  2.8197E+00
  1.7391E+03 -2.7921E+03  3.0370E+03
OH             368    0.000000   -0.683000
  1.7985E+01 -1.5242E+01 -8.9558E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             369    1.008000    0.418000
  1.7808E+01 -1.4747E+01 -9.7408E+00
 -1.7356E+01  2.1879E+01  1.6374E+01
  9.0828E+02  4.5629E+02  1.3535E+03
HC             370    1.008000    0.040000
  1.6760E+01 -1.5895E+01 -7.4107E+00
  6.4519E+00  2.3047E-01  4.5750E+00
  8.0180E+02 -1.5285E+03 -8.4117E+02
HC             371    1.008000    0.040000
  1.6024E+01 -1.5540E+01 -8.9932E+00
 -9.2082E+00  2.0624E+01  2.6306E+00
 -2.1062E+03  2.7185E+03  1.5916E+03
HC             372    1.008000    0.040000
  1.6593E+01 -1.4253E+01 -7.7652E+00
  6.4234E+00  9.5254E+00 -1.6615E+01
 -1.7780E+03  1.3566E+03 -3.9248E+03
CT             373   12.011000    0.145000
  1.3259E+01  2.0046E+01 -1.2084E+01
  2.8751E+00  7.5182E-02  9.1539E-02
 -1.7225E+03  1.0591E+03  6.2847E+03
OH             374    0.000000   -0.683000
  1.3284E+01  1.8661E+01 -1.1824E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             375    1.008000    0.418000
  1.3342E+01  1.8472E+01 -1.0900E+01
 -1.8489E+01  1.2636E+01  4.3048E+00
 -3.2870E+03  2.0527E+03  4.0875E+02
HC             376    1.008000    0.040000
  1.3625E+01  2.0401E+01 -1.3048E+01
  4.8104E+00 -1.2867E+01 -4.1392E+00
 -3.4224E+02 -2.2308E+03 -3.3009E+02
HC             377    1.008000    0.040000
  1.3721E+01 -2.0276E+01 -1.1284E+01
 -1.4270E+01  1.8901E+01 -2.7982E+00
  1.2713E+03 -5.6925E+02 -8.1508E+02
HC             378    1.008000    0.040000
  1.2218E+01  2.0289E+01 -1.1873E+01
  5.4726E+00 -1.1308E+01  3.1145E+01
  1.0341E+03  1.0755E+03 -1.3715E+03
CT             379   12.011000    0.145000
 -5.8212E+00 -1.2695E+01 -2.1152E+00
  3.6361E+00  5.5563E+00 -1.3699E+00
 -1.7748E+02 -2.3929E+03  5.2433E+02
OH             380    0.000000   -0.683000
 -5.4537E+00 -1.3251E+01 -3.3580E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             381    1.008000    0.418000
 -6.2118E+00 -1.3723E+01 -3.6665E+00
  3.8981E+00  7.3616E+00 -2.2751E+01
  1.0848E+03  4.7082E+02 -2.1687E+03
HC             382    1.008000    0.040000
 -4.9642E+00 -1.2493E+01 -1.4727E+00
 -8.4605E+00 -6.8175E+00  1.9825E+01
 -7.9391E+02  1.5819E+03 -8.6471E+02
HC             383    1.008000    0.040000
 -6.3957E+00 -1.3427E+01 -1.5474E+00
 -1.5195E+00 -1.0549E+01 -2.5792E+01
  9.9625E+02 -1.1205E+03 -1.3851E+03
HC             384    1.008000    0.040000
 -6.5468E+00 -1.1884E+01 -2.1763E+00
 -1.3961E+01 -8.5034E+00  1.0360E+01
  1.9396E+03  4.2015E+02 -7.1722E+02
CT             385   12.011000    0.145000
  9.4091E+00 -1.6414E+01  9.9403E+00
 -1.3393E+00  8.2940E+00  3.4863E+00
 -5.1919E+03  4.6452E+02 -3.7883E+03
OH             386    0.000000   -0.683000
  1.0074E+01 -1.5850E+01  8.8318E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             387    1.008000    0.418000
  1.0125E+01 -1.6455E+01  8.1075E+00
  3.6621E+00 -2.1611E+00  2.0310E+00
 -2.3290E+03 -1.4073E+03  1.0844E+03
HC             388    1.008000    0.040000
  9.3233E+00 -1.5710E+01  1.0769E+01
  5.6949E+00  4.5329E+00  7.5026E+00
  1.1856E+03 -1.2945E+03  9.7433E+02
HC             389    1.008000    0.040000
  9.7483E+00 -1.7414E+01  1.0208E+01
  8.2629E+00  9.9956E+00 -1.8593E+00
  1.3870E+03  1.0196E+03  7.3528E+02
HC             390    1.008000    0.040000
  8.4139E+00 -1.6554E+01  9.5184E+00
  3.3222E+00 -9.8154E-01 -4.8427E+00
 -7.8860E+02 -7.9821E+02  1.3021E+03
CT             391   12.011000    0.145000
  1.4726E+01  1.2968E+01 -1.7600E+01
  1.4095E+00  6.9304E-01  1.6406E+00
  1.9372E+03  7.8559E+03 -1.5562E+03
OH             392    0.000000   -0.683000
  1.5829E+01  1.2549E+01 -1.8373E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             393    1.008000    0.418000
  1.6381E+01  1.2065E+01 -1.7779E+01
  7.2371E+00  3.1674E+00 -4.0126E+00
  2.8397E+02  1.1957E+03  5.9420E+02
HC             394    1.008000    0.040000
  1.4334E+01  1.3741E+01 -1.8260E+01
 -5.0852E+00 -6.2470E+00 -2.7929E+00
 -4.4698E+03 -9.0614E+02  8.1136E+02
HC             395    1.008000    0.040000
  1.5200E+01  1.3572E+01 -1.6826E+01
 -4.0556E+00  8.6405E+00 -1.0904E+00
 -3.1993E+03 -8.1197E+02  2.8773E+03
HC             396    1.008000    0.040000
  1.4006E+01  1.2215E+01 -1.7279E+01
  4.4336E+00 -4.1013E+00 -2.6660E+00
  5.6183E+02  3.2307E+02 -1.4860E+02
CT             397   12.011000    0.145000
 -1.8229E+01  1.9062E+00 -7.1479E+00
 -3.3570E+00  4.3228E+00 -1.4240E+00
 -4.9182E+03  4.5982E+03 -1.1334E+03
OH             398    0.000000   -0.683000
 -1.8067E+01  2.4498E+00 -5.8570E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             399    1.008000    0.418000
 -1.8121E+01  3.3923E+00 -5.9000E+00
  6.0958E+00 -6.3681E-02 -2.7673E+01
 -2.2085E+03 -1.0668E+03  1.7353E+02
HC             400    1.008000    0.040000
 -1.7537E+01  2.5093E+00 -7.7356E+00
  2.1474E+01 -1.1869E+01  9.5046E+00
  1.7724E+03 -5.2951E+03 -2.3266E+03
HC             401    1.008000    0.040000
 -1.9251E+01  2.1339E+00 -7.4504E+00
 -1.0232E+01 -3.5485E+00  1.4663E+01
 -5.1492E+02 -8.1080E+02  3.5649E+02
HC             402    1.008000    0.040000
 -1.8159E+01  8.2099E-01 -7.0732E+00
 -1.0197E+01  4.7713E+00  1.6288E+01
  2.5324E+03  1.0003E+03 -2.2526E+03
CT             403   12.011000    0.145000
 -1.9457E+01  1.1873E+01  3.9465E+00
 -4.2820E-01  3.4388E+00  3.9747E+00
  3.6737E+02 -1.0963E+03 -1.7974E+03
OH             404    0.000000   -0.683000
 -1.8078E+01  1.2150E+01  3.8486E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             405    1.008000    0.418000
 -1.7639E+01  1.1684E+01  4.5431E+00
 -1.1966E+01 -2.6748E+00  6.0454E+00
  1.1381E+03  8.0451E+02 -5.6828E+02
HC             406    1.008000    0.040000
 -2.0044E+01  1.2446E+01  3.2283E+00
 -5.9069E-01 -1.5593E+01 -1.1914E+01
  5.0921E+02  1.7099E+03  2.1787E+03
HC             407    1.008000    0.040000
 -1.9700E+01  1.1978E+01  5.0040E+00
  6.3971E+00  4.4516E-01  5.8943E+00
 -2.1276E+03  7.6749E+02 -8.6980E+02
HC             408    1.008000    0.040000
 -1.9720E+01  1.0881E+01  3.5787E+00
  2.1251E+01  1.2077E-01 -4.0322E+00
  2.1885E+03 -9.7829E+02  1.8811E+03
CT             409   12.011000    0.145000
  1.1151E+01  1.7089E+01 -2.0367E+01
  3.6549E-01  6.8812E+00 -2.7362E+00
 -6.9017E+02 -1.1426E+02 -1.1049E+03
OH             410    0.000000   -0.683000
  1.1966E+01  1.6620E+01  1.9482E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             411    1.008000    0.418000
  1.2265E+01  1.5733E+01  1.9613E+01
 -1.7536E+01 -6.7911E+00 -3.0844E+00
  3.0280E+02  1.2173E+03  3.7364E+03
HC             412    1.008000    0.040000
  1.0328E+01  1.7715E+01  2.0189E+01
 -4.7597E+00 -7.0296E+00 -1.7060E+01
  1.1149E+02 -9.0779E+02 -1.1969E+03
HC             413    1.008000    0.040000
  1.1717E+01  1.7701E+01 -1.9665E+01
 -1.2606E+01  5.2605E+00  9.5955E+00
  4.8736E+01 -3.1346E+03  2.2231E+03
HC             414    1.008000    0.040000
  1.0754E+01  1.6155E+01 -1.9968E+01
  1.0000E+01  9.0315E+00  1.2729E+01
 -8.6950E+02  2.1061E+03  3.6502E+03
CT             415   12.011000    0.145000
  2.0151E+01 -4.4869E-01  5.9174E-01
  4.0370E+00 -2.2751E+00  1.4885E+00
 -9.7187E+02  2.4473E+03  2.2180E+03
OH             416    0.000000   -0.683000
 -1.9966E+01  5.4839E-01 -2.4880E-02
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             417    1.008000    0.418000
 -2.0131E+01  3.7726E-01 -9.3942E-01
 -1.6973E+00 -1.0749E+01  2.1832E+00
  1.1410E+03  2.6536E+03 -4.1142E+02
HC             418    1.008000    0.040000
  2.0095E+01 -2.5557E-01  1.6630E+00
 -3.7004E+01  8.7919E+00 -9.4666E-01
 -1.3766E+03 -3.5289E+02 -1.3049E+03
HC             419    1.008000    0.040000
 -2.0429E+01 -1.4745E+00  4.0903E-01
  7.3667E+00 -1.0999E+00  6.5291E-01
 -4.1584E+02  3.1329E+02 -9.1684E+02
HC             420    1.008000    0.040000
  1.9159E+01 -2.5223E-01  1.8533E-01
 -2.4796E+00 -1.5348E+01  1.0359E+01
 -1.1216E+03 -2.3219E+03  1.7480E+03
CT             421   12.011000    0.145000
  1.5578E+01  1.8159E+01 -1.7912E+01
 -3.8410E+00  3.9472E+00  1.7022E+00
  3.7733E+03 -1.1112E+03 -1.6653E+03
OH             422    0.000000   -0.683000
  1.6288E+01  1.8321E+01 -1.6704E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             423    1.008000    0.418000
  1.5907E+01  1.9134E+01 -1.6409E+01
 -1.2169E+00  4.2371E+00 -1.2646E+01
  1.6429E+03  5.6258E+02 -4.9496E+01
HC             424    1.008000    0.040000
  1.6051E+01  1.8876E+01 -1.8583E+01
 -1.3635E+00 -1.5999E+00 -2.5608E+00
 -1.2784E+03 -7.1586E+02 -1.8707E+03
HC             425    1.008000    0.040000
  1.4504E+01  1.8345E+01 -1.7874E+01
 -4.5526E+00 -1.8664E+00  1.8957E+01
  3.5393E+02 -1.3033E+03  1.4427E+03
HC             426    1.008000    0.040000
  1.5869E+01  1.7157E+01 -1.8226E+01
  6.6491E+00  1.2153E+01 -1.6293E+01
 -2.0484E+03  3.7612E+02 -2.4021E+03
CT             427   12.011000    0.145000
 -1.3261E+01  1.6916E+01 -1.0781E+01
  4.5306E+00 -5.5959E+00 -1.7484E+00
 -5.4531E+02 -4.3036E+03  2.4529E+03
OH             428    0.000000   -0.683000
 -1.4242E+01  1.6404E+01 -1.1655E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             429    1.008000    0.418000
 -1.4735E+01  1.7172E+01 -1.1900E+01
 -8.1090E+00 -8.5116E+00 -1.1417E+01
 -1.7787E+03 -1.4352E+03 -2.4832E+02
HC             430    1.008000    0.040000
 -1.2621E+01  1.6081E+01 -1.0492E+01
  2.6621E+00 -7.6738E+00 -3.5794E+00
  8.4842E+02  4.0929E+02  3.5502E+02
HC             431    1.008000    0.040000
 -1.3736E+01  1.7267E+01 -9.8652E+00
  2.5784E+01  9.7648E+00  4.1957E+00
  1.2973E+03  1.9504E+03 -5.3441E+02
HC             432    1.008000    0.040000
 -1.2665E+01  1.7713E+01 -1.1225E+01
 -6.4969E+00  1.2870E+01  1.4938E+01
 -2.3662E+03  8.7290E+02  5.3698E+02
CT             433   12.011000    0.145000
  1.9619E+01 -1.8199E+01  1.9354E+01
 -1.4447E+00 -8.6312E-01 -3.1555E-01
 -2.5705E+02  9.6646E+02  2.3694E+03
OH             434    0.000000   -0.683000
  2.0195E+01 -1.9361E+01  1.9908E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             435    1.008000    0.418000
 -2.0148E+01 -1.8888E+01 -2.0394E+01
 -6.6831E+00  3.9338E+01 -2.1449E+01
 -1.3053E+01 -2.1584E+03 -2.0414E+03
HC             436    1.008000    0.040000
  1.8720E+01 -1.8281E+01  1.8743E+01
 -1.3419E+01 -4.9666E+00  1.7100E+01
  1.3779E+03 -2.7701E+03 -5.5694E+02
HC             437    1.008000    0.040000
  2.0347E+01 -1.7538E+01  1.8884E+01
 -8.2054E+00  2.5580E+00 -6.1584E+00
  4.6169E+02 -1.6664E+03 -1.2846E+03
HC             438    1.008000    0.040000
  1.9244E+01 -1.7579E+01  2.0168E+01
 -9.3592E+00 -1.9145E+01  1.0599E+01
 -2.9115E+01 -1.4981E+03  9.3372E+02
CT             439   12.011000    0.145000
  1.3205E+01  5.6790E+00 -1.3139E+01
 -5.1646E-01  6.5454E-01  2.3723E+00
 -1.8920E+03  4.9432E+03 -2.8633E+03
OH             440    0.000000   -0.683000
  1.4487E+01  6.2559E+00 -1.3022E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             441    1.008000    0.418000
  1.4970E+01  5.9715E+00 -1.3783E+01
 -7.7218E+00 -5.9456E+00 -2.8219E+00
  2.0159E+03  1.2617E+03  1.1020E+03
HC             442    1.008000    0.040000
  1.3277E+01  4.6101E+00 -1.3341E+01
 -1.3973E+01 -2.6644E+00  1.3626E+01
 -2.9390E+03 -5.8080E+01  1.7716E+03
HC             443    1.008000    0.040000
  1.2788E+01  6.2090E+00 -1.3996E+01
  3.8571E+01  1.3419E+01 -1.0945E+01
  4.4614E+02 -2.1694E+03  1.4903E+02
HC             444    1.008000    0.040000
  1.2624E+01  5.9698E+00 -1.2264E+01
 -3.8458E+00 -4.8168E+00  2.0274E+00
 -4.5360E+02 -3.1708E+03  7.6918E+02
CT             445   12.011000    0.145000
  8.2551E+00 -5.7936E+00  3.3999E+00
 -8.2552E+00 -2.2794E+00  1.7585E+00
 -4.0120E+03 -1.9488E+03  3.7465E+02
OH             446    0.000000   -0.683000
  8.7117E+00 -7.0331E+00  3.8931E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             447    1.008000    0.418000
  8.2779E+00 -7.7364E+00  3.4346E+00
  4.4741E+00  5.6632E+00 -1.3429E+01
 -7.2234E+02  2.0118E+03 -2.1781E+03
HC             448    1.008000    0.040000
  8.6659E+00 -5.4917E+00  2.4364E+00
  1.1524E+01  1.1636E+01  1.3794E+01
  2.7734E+03  8.7903E+02  2.0610E+03
HC             449    1.008000    0.040000
  8.4728E+00 -5.1710E+00  4.2677E+00
  1.7851E+01 -1.6782E+01  6.6688E+00
  1.0189E+03  2.6500E+03 -3.5486E+03
HC             450    1.008000    0.040000
  7.1822E+00 -5.8490E+00  3.2159E+00
 -8.3746E+00 -2.7407E+00  2.5891E+00
 -6.7551E+02  7.9913E+01  1.9470E+03
CT             451   12.011000    0.145000
  1.5755E+01 -1.1413E+01  1.2607E+00
 -3.5593E-01 -2.1826E+00  1.2699E+00
 -1.1214E+03  1.1690E+03 -5.9601E+02
OH             452    0.000000   -0.683000
  1.5767E+01 -1.0703E+01  2.4789E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             453    1.008000    0.418000
  1.5120E+01 -1.0014E+01  2.4727E+00
 -8.5966E+00 -7.8500E+00  2.1194E+00
 -5.0349E+01 -3.1775E+02 -2.7926E+03
HC             454    1.008000    0.040000
  1.6548E+01 -1.1134E+01  5.6654E-01
 -1.5100E+01  1.5268E+00 -1.4787E+01
 -1.0218E+03  1.2508E+03 -3.2483E+01
HC             455    1.008000    0.040000
  1.4803E+01 -1.1096E+01  8.3386E-01
  7.3906E+00 -2.8441E+00 -1.7457E+01
  5.7232E+02 -2.2739E+03 -2.8081E+03
HC             456    1.008000    0.040000
  1.5807E+01 -1.2497E+01  1.3596E+00
 -4.9417E+00 -4.3875E+00 -1.6894E+01
 -1.0058E+03  4.2990E+02  3.0004E+02
CT             457   12.011000    0.145000
 -4.3523E+00  1.6576E+01  1.4098E+01
 -4.4693E+00  4.9032E-01  9.1072E-01
 -5.3442E+02 -3.3984E+03 -3.2840E+03
OH             458    0.000000   -0.683000
 -4.2634E+00  1.5551E+01  1.5062E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             459    1.008000    0.418000
 -4.2813E+00  1.4688E+01  1.4678E+01
 -7.8833E-01 -1.3731E+01  2.8274E+01
  2.2307E+02  2.1726E+03 -1.5038E+03
HC             460    1.008000    0.040000
 -5.2401E+00  1.6116E+01  1.3663E+01
  1.3240E+01 -1.2068E+01 -2.4580E+01
 -1.6117E+02  5.6488E+03 -3.5755E+03
HC             461    1.008000    0.040000
 -3.5319E+00  1.6489E+01  1.3385E+01
 -4.1758E+00  1.7443E+01 -1.2214E+00
 -4.8994E+02  9.8598E+02 -6.4878E+02
HC             462    1.008000    0.040000
 -4.4626E+00  1.7591E+01  1.4477E+01
 -2.0600E+01  3.4886E-01 -2.6832E+00
 -6.3896E+02 -6.6014E+02 -7.8579E+01
CT             463   12.011000    0.145000
 -9.8947E-01  8.6336E+00 -7.0713E+00
 -1.4536E+00  3.7935E-01 -3.8181E+00
  2.8902E+03 -1.6945E+03  5.5003E+03
OH             464    0.000000   -0.683000
 -1.9926E+00  7.6868E+00 -6.7791E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             465    1.008000    0.418000
 -1.9100E+00  7.4465E+00 -5.8688E+00
  1.8040E+00 -3.4201E+00 -1.0484E+00
  2.4321E+03  1.0088E+02 -2.0627E+02
HC             466    1.008000    0.040000
 -1.0361E+00  9.3956E+00 -6.2933E+00
  1.9992E+00  1.3595E+00 -4.5539E+00
  5.4155E+02  7.0096E+02 -3.5478E+02
HC             467    1.008000    0.040000
 -9.0553E-01  9.1221E+00 -8.0421E+00
 -2.2542E+01 -6.4434E+00 -9.6152E+00
 -3.2905E+03 -2.1852E+03 -6.8189E+02
HC             468    1.008000    0.040000
 -1.0468E-01  8.0232E+00 -6.8907E+00
 -5.9397E+00 -6.7941E+00 -5.6718E+00
  1.4035E+03  1.5079E+03 -4.6117E+02
CT             469   12.011000    0.145000
  1.9719E+01  1.8422E+01 -9.4512E+00
  1.3464E+00  1.2002E+00 -6.2278E-03
 -2.7774E+03 -3.2241E+03 -1.9252E+03
OH             470    0.000000   -0.683000
  1.8822E+01  1.9424E+01 -9.8725E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             471    1.008000    0.418000
  1.8188E+01  1.9636E+01 -9.2038E+00
 -4.2060E-01  1.0167E+01 -3.4495E+00
  9.9308E+02 -2.1851E+03  1.2756E+03
HC             472    1.008000    0.040000
  2.0071E+01  1.7852E+01 -1.0311E+01
 -7.9626E+00 -7.4985E-01 -2.6335E+00
  2.0960E+03  2.5284E+03 -8.0131E+02
HC             473    1.008000    0.040000
  1.9121E+01  1.7615E+01 -9.0282E+00
 -1.0859E+01  1.1771E+01  3.5222E+00
  2.5131E+02  1.3811E+03  3.1779E+03
HC             474    1.008000    0.040000
 -2.0364E+01  1.8685E+01 -8.7789E+00
 -8.9429E+00 -2.9930E+01  2.7389E+01
 -1.8664E+03 -8.5582E+02 -5.4950E+02
CT             475   12.011000    0.145000
 -4.3382E+00  1.1005E+01  1.8058E+01
  5.1783E-01  1.8037E+00  1.4745E+00
 -5.2385E+02  6.3150E+02  2.1400E+03
OH             476    0.000000   -0.683000
 -3.2458E+00  1.0273E+01  1.8566E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             477    1.008000    0.418000
 -3.3525E+00  1.0379E+01  1.9499E+01
 -1.0529E+01  3.2267E+01 -3.6339E+00
 -1.1213E+03  6.0392E+02 -1.3085E+03
HC             478    1.008000    0.040000
 -4.2221E+00  1.1976E+01  1.8539E+01
 -1.1874E+01 -5.3722E+00  2.0108E+01
 -1.5405E+03  7.1281E+02 -2.2460E+03
HC             479    1.008000    0.040000
 -5.2770E+00  1.0564E+01  1.8393E+01
  1.1561E+01 -2.7022E+01 -2.6239E+00
  9.8034E+02 -1.1442E+02  1.0231E+02
HC             480    1.008000    0.040000
 -4.3775E+00  1.1034E+01  1.6969E+01
 -8.2530E+00  1.5261E+01  1.9098E+00
  4.3583E+02  1.5305E+03  3.8693E+02
CT             481   12.011000    0.145000
 -3.4879E+00  1.5478E+01  1.8227E+01
  1.6068E+00 -2.8456E+00  5.4403E-01
  2.5896E+02  9.8999E+02  6.3673E+02
OH             482    0.000000   -0.683000
 -2.4534E+00  1.5902E+01  1.7368E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             483    1.008000    0.418000
 -2.9111E+00  1.5812E+01  1.6546E+01
 -9.3828E+00 -1.2265E+01  6.2254E+00
  2.0640E+03 -4.1252E+01 -6.8104E+02
HC             484    1.008000    0.040000
 -3.5206E+00  1.5866E+01  1.9245E+01
  1.9634E+01  1.7208E+01 -5.7703E+00
  4.0892E+03 -6.0283E+02 -1.0893E+02
HC             485    1.008000    0.040000
 -3.4725E+00  1.4389E+01  1.8199E+01
 -1.2112E+01 -3.5525E+00  1.0193E+01
 -3.2117E+03  1.2208E+02  5.8277E+02
HC             486    1.008000    0.040000
 -4.3796E+00  1.5964E+01  1.7831E+01
  1.0303E+00  2.2173E-01  5.5217E+00
 -1.2428E+03 -3.1017E+03 -7.2797E+02
CT             487   12.011000    0.145000
  1.2513E+01 -6.2921E-01  4.6080E+00
 -6.7774E-01  6.7101E-01  1.0572E+00
  6.0494E+02 -6.1672E+02 -1.0125E+03
OH             488    0.000000   -0.683000
  1.2530E+01  5.6518E-01  3.8588E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             489    1.008000    0.418000
  1.3414E+01  8.6432E-01  3.7102E+00
 -1.4418E-01 -2.6140E+00 -6.4489E+00
  3.1988E+02  1.7160E+01  2.8822E+03
HC             490    1.008000    0.040000
  1.3454E+01 -5.6547E-01  5.1541E+00
  1.7041E+00 -2.1649E+00 -2.6658E+00
 -9.6369E+02 -2.9079E+03  1.8859E+03
HC             491    1.008000    0.040000
  1.2447E+01 -1.4755E+00  3.9242E+00
 -8.2908E+00 -3.8256E-01  3.0078E+00
  2.7595E+03 -5.4689E+02  4.9180E+02
HC             492    1.008000    0.040000
  1.1595E+01 -8.4637E-01  5.1530E+00
 -1.5343E+01 -1.8993E+01 -2.8760E+01
  2.0380E+03  2.6542E+03  7.5399E+02
CT             493   12.011000    0.145000
  1.8868E+01  1.2360E+01  1.7557E+01
 -1.7258E+00 -9.1204E-01  3.8140E+00
  4.9392E+02 -1.1601E+02 -3.7164E+02
OH             494    0.000000   -0.683000
  1.8719E+01  1.1014E+01  1.7163E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             495    1.008000    0.418000
  1.8859E+01  1.0559E+01  1.7979E+01
 -2.7463E+01  1.5315E+01  1.4739E+01
  4.3884E+02 -9.2002E+01 -1.8224E+03
HC             496    1.008000    0.040000
  1.9901E+01  1.2584E+01  1.7822E+01
 -2.3717E+00  2.8146E+01 -1.3902E+01
 -9.3566E+02  9.2459E+02 -8.1012E+02
HC             497    1.008000    0.040000
  1.8214E+01  1.2661E+01  1.8376E+01
 -9.2209E+00  1.6125E+01 -7.8420E+00
 -6.3082E+02 -1.5462E+03 -6.7192E+02
HC             498    1.008000    0.040000
  1.8527E+01  1.3079E+01  1.6812E+01
 -6.5678E+00  1.8310E+00  8.5954E+00
  1.4830E+03 -1.4949E+03 -1.9190E+03
CT             499   12.011000    0.145000
  2.6296E+00 -1.6033E+01  5.5419E+00
  1.2627E-01  5.4654E-01 -5.0967E-01
 -1.7626E+03  9.6775E+02 -3.4353E+03
OH             500    0.000000   -0.683000
  3.5131E+00 -1.6885E+01  4.8481E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             501    1.008000    0.418000
  3.1368E+00 -1.7696E+01  5.1537E+00
 -1.3968E+01 -5.8837E+00 -2.9266E+01
  3.7950E+03 -1.5169E+03 -2.6517E+03
HC             502    1.008000    0.040000
  1.8371E+00 -1.6719E+01  5.8404E+00
  9.7033E+00 -1.3298E+01 -5.8606E+00
  2.8119E+02  6.2640E+02  9.0642E+02
HC             503    1.008000    0.040000
  2.1407E+00 -1.5290E+01  4.9120E+00
  2.2569E+01 -1.3650E+00 -2.1703E+01
  1.8285E+03 -8.9657E+02 -1.9369E+03
HC             504    1.008000    0.040000
  2.9400E+00 -1.5453E+01  6.4114E+00
 -2.6992E+01  6.6188E+00  6.0602E+00
  2.3252E+03 -2.8116E+03 -6.2093E+02
CT             505   12.011000    0.145000
  2.3434E-01 -2.5233E+00 -1.0104E+01
  1.6854E+00  3.1769E+00 -1.9182E+00
  1.9948E+03 -4.4049E+03  1.1770E+03
OH             506    0.000000   -0.683000
  7.1046E-01 -2.0358E+00 -8.8694E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             507    1.008000    0.418000
  2.7831E-01 -2.3545E+00 -8.0918E+00
  3.4390E+00 -2.9458E+01 -8.9289E+00
 -1.0893E+03 -4.2573E+03 -2.9055E+03
HC             508    1.008000    0.040000
  4.8628E-01 -1.9141E+00 -1.0972E+01
 -1.3940E+01 -2.0351E+00 -1.0509E+01
 -2.3548E+03  1.2790E+03  8.3368E+02
HC             509    1.008000    0.040000
 -8.2473E-01 -2.7666E+00 -1.0019E+01
 -5.6701E-02  1.5767E+01  1.9885E+01
  4.5284E+02  8.1933E+02 -9.7666E+02
HC             510    1.008000    0.040000
  8.6587E-01 -3.3888E+00 -1.0304E+01
  1.5293E+01  9.7559E+00  1.0630E+01
 -1.8947E+03 -1.4911E+03  9.4307E+02
CT             511   12.011000    0.145000
  1.3902E+01 -9.3773E+00 -1.0130E+01
  1.6707E+00 -6.2285E-02 -9.2620E-01
 -1.2597E+03 -4.1195E+02  1.2495E+03
OH             512    0.000000   -0.683000
  1.3422E+01 -1.0443E+01 -1.0918E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             513    1.008000    0.418000
  1.3908E+01 -1.0244E+01 -1.1704E+01
 -1.9477E+01  5.6426E+00 -1.1290E+01
 -4.8602E+02 -2.9358E+03 -3.1315E+02
HC             514    1.008000    0.040000
  1.3447E+01 -9.4281E+00 -9.1401E+00
  1.1945E+01  2.5743E+00  4.0641E+00
  1.4567E+03 -3.0635E+00  7.5630E+02
HC             515    1.008000    0.040000
  1.3570E+01 -8.4210E+00 -1.0534E+01
 -9.2412E+00  6.5347E+00  2.1896E+01
  1.4262E+03 -2.6050E+02  1.9149E+02
HC             516    1.008000    0.040000
  1.4987E+01 -9.4309E+00 -1.0042E+01
  1.8919E+00  2.3236E+01  2.3816E+01
 -9.6797E+02  1.4867E+03  1.4798E+03
CT             517   12.011000    0.145000
 -1.2019E+01  6.3117E+00 -8.5840E+00
 -1.6358E+00  1.4008E+00 -6.8431E-01
  1.4402E+03  4.4110E+03  1.4329E+03
OH             518    0.000000   -0.683000
 -1.1343E+01  6.5004E+00 -9.8068E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             519    1.008000    0.418000
 -1.2019E+01  6.8571E+00 -1.0363E+01
  6.7277E+00 -2.8652E+00 -1.0310E+01
  1.0722E+03 -7.7489E+02 -1.6883E+03
HC             520    1.008000    0.040000
 -1.1395E+01  5.8500E+00 -7.8186E+00
  2.1785E+01  3.2164E+00 -1.7580E+01
  9.1594E+02 -2.3887E+02 -1.7524E+03
HC             521    1.008000    0.040000
 -1.3024E+01  5.8909E+00 -8.5553E+00
 -4.9668E+00  8.8540E+00 -5.0647E+00
  9.8908E+02 -1.6398E+03 -3.4817E+03
HC             522    1.008000    0.040000
 -1.2231E+01  7.3241E+00 -8.2401E+00
  4.6353E+00  7.4022E+00 -1.3773E+01
  7.1734E+02  2.7649E+02  8.1148E+01
CT             523   12.011000    0.145000
  1.2386E+01 -1.2085E-01  1.6072E+01
 -1.0996E+00 -4.8055E+00 -1.2266E+00
 -1.4535E+03  9.1010E+02  3.8499E+02
OH             524    0.000000   -0.683000
  1.2074E+01  2.9084E-01  1.4760E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             525    1.008000    0.418000
  1.2488E+01 -3.6213E-01  1.4217E+01
 -1.9445E+00  2.4695E+01 -3.4466E+01
 -1.3857E+03  3.9865E+03 -4.1795E+03
HC             526    1.008000    0.040000
  1.1858E+01  5.9649E-01  1.6700E+01
 -8.1523E-01 -2.0462E+00 -4.1136E+00
 -1.1555E+03 -2.4122E+03  1.8667E+03
HC             527    1.008000    0.040000
  1.3421E+01 -1.7589E-01  1.6412E+01
  1.0032E+00 -1.8130E+01 -9.0659E+00
  6.9190E+02  1.4358E+03 -2.9311E+03
HC             528    1.008000    0.040000
  1.2093E+01 -1.1694E+00  1.6123E+01
  3.3005E+00 -5.4540E+00  2.1057E+01
 -2.3654E+03  1.1610E+03  2.9532E+03
CT             529   12.011000    0.145000
  9.0241E-01  4.2692E+00 -5.7022E+00
 -1.3874E-02 -1.4537E-02 -2.3527E+00
 -3.5077E+03  1.7324E+03 -7.9635E+02
OH             530    0.000000   -0.683000
  2.6148E-01  3.0134E+00 -5.6883E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             531    1.008000    0.418000
 -4.3249E-01  3.1034E+00 -5.0532E+00
  1.2141E+01 -1.4073E+01  1.6219E+01
  3.3875E+02 -1.3511E+03 -2.9492E+02
HC             532    1.008000    0.040000
  1.7268E+00  4.4062E+00 -6.4019E+00
 -4.9797E+00 -9.1034E+00 -1.0224E+01
  1.0276E+03 -3.3958E+03  9.8582E+02
HC             533    1.008000    0.040000
  1.1367E+00  4.6192E+00 -4.6968E+00
  1.1848E-01 -8.3403E+00  5.9230E-01
  1.3158E+03 -2.5020E+03  4.7667E+02
HC             534    1.008000    0.040000
  2.6806E-01  5.0928E+00 -6.0299E+00
  5.4891E+00  3.9434E+00 -3.2001E+00
 -2.1850E+03 -1.7245E+03 -7.0689E+02
CT             535   12.011000    0.145000
 -1.9683E+01 -4.2043E+00 -5.3919E+00
 -1.9653E+00 -1.6297E+00 -1.2967E+00
  4.2936E+03  4.2104E+03 -3.1907E+03
OH             536    0.000000   -0.683000
  2.0286E+01 -3.1494E+00 -5.3001E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             537    1.008000    0.418000
 -2.0264E+01 -2.5472E+00 -4.6616E+00
 -2.3616E+01  4.9248E+00  9.3525E+00
  3.9317E+02 -1.6103E+03  1.3792E+02
HC             538    1.008000    0.040000
 -1.9619E+01 -4.8031E+00 -6.3004E+00
 -2.8565E+00 -2.4678E+01  1.3019E+01
 -2.9245E+03 -1.7814E+03  1.4277E+03
HC             539    1.008000    0.040000
 -1.9569E+01 -4.7666E+00 -4.4652E+00
  7.8804E+00  2.6539E+00  2.0923E-01
  4.3667E+02 -8.4602E+02 -1.1625E+03
HC             540    1.008000    0.040000
 -1.8839E+01 -3.5244E+00 -5.5021E+00
 -1.3384E+01  1.5662E+01  1.2281E+01
  1.8165E+03 -2.2820E+03  1.7505E+03
CT             541   12.011000    0.145000
 -1.2534E+01 -1.7934E+01  4.0510E+00
  6.6799E+00  1.0357E+01  4.2769E-01
 -1.3222E+03  3.5006E+03 -1.2810E+03
OH             542    0.000000   -0.683000
 -1.2468E+01 -1.7933E+01  2.6425E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             543    1.008000    0.418000
 -1.2830E+01 -1.8760E+01  2.3615E+00
 -9.0940E+00  2.2092E+00  4.8066E+00
  4.3324E+02 -3.5508E+02  8.9831E+02
HC             544    1.008000    0.040000
 -1.2574E+01 -1.6924E+01  4.4569E+00
  9.7056E+00  6.1072E+00  1.1691E+01
 -4.7596E+02  1.6172E+02 -2.1570E+02
HC             545    1.008000    0.040000
 -1.1688E+01 -1.8413E+01  4.5439E+00
 -9.1132E+00 -1.7125E+01  2.8737E+00
 -2.1892E+03 -2.6320E+03 -5.9462E+02
HC             546    1.008000    0.040000
 -1.3517E+01 -1.8368E+01  4.2328E+00
  3.4257E+00  2.1297E+01  1.0131E+01
  1.5066E+03 -1.3851E+03  3.4364E+03
CT             547   12.011000    0.145000
  2.0343E+01  1.8813E+01 -2.3644E+00
  3.5790E+00  2.5179E+00 -2.0078E+00
 -2.7050E+03 -1.2429E+03  4.4133E+03
OH             548    0.000000   -0.683000
 -1.9649E+01  1.7794E+01 -2.0106E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             549    1.008000    0.418000
 -1.9941E+01  1.7251E+01 -1.2947E+00
 -2.1258E+01  6.5282E+00 -3.0083E+00
 -2.8109E+02 -8.2490E+01 -8.4395E+02
HC             550    1.008000    0.040000
  1.9606E+01  1.8368E+01 -3.0338E+00
 -9.0696E+00  6.4485E+00  8.8606E+00
 -3.4384E+02  2.2929E+03 -6.3110E+02
HC             551    1.008000    0.040000
 -1.9903E+01  1.9579E+01 -2.7818E+00
  1.5066E+01 -1.7087E+01 -2.2189E+01
 -2.1941E+03 -5.9451E+02 -1.5987E+03
HC             552    1.008000    0.040000
  1.9841E+01  1.9075E+01 -1.4327E+00
 -9.6797E+00 -4.4947E+00 -6.9071E+00
 -1.0057E+03  1.5935E+03 -7.8763E+02
CT             553   12.011000    0.145000
  1.4671E+01  3.4668E+00  1.4547E+01
  1.8143E-01 -1.5191E+00  1.0622E+00
  7.5592E+02 -7.0097E+02  4.9105E+02
OH             554    0.000000   -0.683000
  1.4727E+01  2.6655E+00  1.3388E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             555    1.008000    0.418000
  1.3840E+01  2.8301E+00  1.3107E+01
 -1.0532E+00  4.1847E-01  3.5247E+00
  3.3388E+02 -3.5388E+03 -2.7722E+03
HC             556    1.008000    0.040000
  1.4252E+01  4.4601E+00  1.4385E+01
 -1.6254E+01 -6.8782E+00  8.4573E+00
  1.0328E+03 -2.1631E+02 -7.0072E+02
HC             557    1.008000    0.040000
  1.5689E+01  3.5520E+00  1.4926E+01
 -2.1233E-01 -5.1187E+00  2.9724E+00
 -7.6237E+02 -1.0379E+03  2.4842E+03
HC             558    1.008000    0.040000
  1.3961E+01  3.0050E+00  1.5233E+01
 -2.5620E-01  3.2368E+00  3.8547E+00
  1.4674E+03  4.3463E+01  1.5291E+03
CT             559   12.011000    0.145000
  1.7628E+01 -1.6570E+01  1.2948E+01
  6.7138E+00  3.2294E+00  9.8660E+00
  6.3520E+02  5.9715E+02 -3.5929E+03
OH             560    0.000000   -0.683000
  1.7464E+01 -1.5213E+01  1.2601E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             561    1.008000    0.418000
  1.6541E+01 -1.5148E+01  1.2411E+01
 -4.6300E-01  2.7843E+01  7.4979E+00
  1.2389E+03  2.1339E+03 -1.7384E+03
HC             562    1.008000    0.040000
  1.8650E+01 -1.6924E+01  1.3082E+01
  8.2459E+00  7.1083E+00  8.5843E+00
  7.1176E+02  2.4103E+03  9.2233E+02
HC             563    1.008000    0.040000
  1.7308E+01 -1.7197E+01  1.2116E+01
  7.6235E+00 -1.0083E+00  1.2676E+01
 -1.0372E+03  6.5528E+02 -2.8485E+02
HC             564    1.008000    0.040000
  1.7022E+01 -1.6899E+01  1.3792E+01
 -1.0914E+01  1.8230E+01  3.7391E+00
 -7.2753E+02  2.2839E+03 -4.6004E+02
CT             565   12.011000    0.145000
 -1.9170E+01  1.5981E+01  1.2561E+01
  4.7354E+00 -4.6017E-01  4.6420E-01
  3.4535E+03  5.7851E+03  1.4362E+03
OH             566    0.000000   -0.683000
 -1.9331E+01  1.5772E+01  1.3946E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             567    1.008000    0.418000
 -1.9579E+01  1.6580E+01  1.4369E+01
 -3.7096E+00 -1.0707E+01  1.9501E+01
 -1.3158E+02  3.5301E+02 -2.4856E+03
HC             568    1.008000    0.040000
 -1.8324E+01  1.6621E+01  1.2312E+01
 -1.1093E+01  1.0519E+01 -3.0485E+01
 -1.4531E+03  1.3117E+03  2.2295E+03
HC             569    1.008000    0.040000
 -1.9990E+01  1.6597E+01  1.2192E+01
  1.3991E+01  2.2774E+01  1.6339E+01
  2.1487E+02 -1.3662E+03  8.8310E+01
HC             570    1.008000    0.040000
 -1.8847E+01  1.5177E+01  1.1899E+01
  1.5846E+01 -9.9006E+00  1.6636E+01
 -2.7223E+03 -3.7263E+03  4.1859E+03
CT             571   12.011000    0.145000
  1.9994E+00  9.8711E+00 -1.5069E+01
 -2.8042E+00 -5.4663E-01 -4.4975E+00
  6.0541E+03 -1.1898E+02 -1.8148E+03
OH             572    0.000000   -0.683000
  2.0740E+00  8.4691E+00 -1.4939E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             573    1.008000    0.418000
  2.8488E+00  8.1835E+00 -1.5399E+01
  1.8987E+01  1.3895E+01  2.1186E+01
 -9.4122E+02  2.4447E+03 -8.5644E+02
HC             574    1.008000    0.040000
  1.6981E+00  1.0161E+01 -1.6076E+01
 -6.8732E+00  6.9461E+00 -1.2070E+00
 -6.0912E+02  1.0921E+03  5.2877E+02
HC             575    1.008000    0.040000
  3.0381E+00  1.0168E+01 -1.4924E+01
 -4.7175E+00  6.5063E+00 -4.8531E+00
  3.4261E+02  1.2720E+03 -1.7413E+03
HC             576    1.008000    0.040000
  1.5468E+00  1.0468E+01 -1.4278E+01
  1.9784E+00 -1.7871E+00 -7.7814E-01
 -3.5236E+03 -2.7781E+03 -5.6538E+02
CT             577   12.011000    0.145000
 -1.0879E+01  6.3264E+00  1.9915E+01
  1.6236E+00  1.7636E+00  3.2778E+00
  2.8255E+02 -2.3650E+03  9.5379E+02
OH             578    0.000000   -0.683000
 -1.2147E+01  6.3384E+00 -2.0368E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             579    1.008000    0.418000
 -1.1901E+01  6.7714E+00 -1.9565E+01
  2.1901E+01  1.6945E+01 -1.4619E+01
 -5.3978E+03 -1.1158E+02 -1.7569E+02
HC             580    1.008000    0.040000
 -1.0316E+01  5.5776E+00 -2.0427E+01
 -7.8192E+00  9.6311E+00  2.4433E+01
 -1.6873E+02 -5.5615E+02 -1.5528E+03
HC             581    1.008000    0.040000
 -1.0287E+01  7.2400E+00  1.9971E+01
 -9.6527E+00  1.2530E+01 -2.9589E+01
 -2.5929E+03  3.2392E+02 -6.5081E+02
HC             582    1.008000    0.040000
 -1.1042E+01  6.0689E+00  1.8869E+01
 -1.8064E+01 -4.8978E+00  7.5586E+00
  1.0401E+03 -1.8140E+02  4.2449E+02
CT             583   12.011000    0.145000
  7.6374E+00  1.4895E+01 -1.5263E+01
  1.8316E+00 -1.1183E+00 -1.3864E+00
 -1.7974E+02 -6.7284E+02 -3.4641E+02
OH             584    0.000000   -0.683000
  8.0003E+00  1.4112E+01 -1.4147E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             585    1.008000    0.418000
  7.4236E+00  1.4341E+01 -1.3435E+01
  1.9184E+01 -8.4856E+00  1.9390E+01
 -2.1833E+02  4.5702E+02 -1.7185E+03
HC             586    1.008000    0.040000
  8.2034E+00  1.4770E+01 -1.6186E+01
  7.0878E+00  1.4352E+01 -5.4284E-01
  2.8608E+03 -5.0117E+02  2.0707E+03
HC             587    1.008000    0.040000
  7.6586E+00  1.5958E+01 -1.5023E+01
 -9.8128E-01 -1.3962E-01 -5.3670E+00
  6.7366E+02 -1.6323E+02  2.2365E+02
HC             588    1.008000    0.040000
  6.6339E+00  1.4723E+01 -1.5652E+01
 -1.4188E+00  8.2733E-02  6.2790E+00
 -1.0477E+03 -1.1277E+03  3.0813E+03
CT             589   12.011000    0.145000
  1.0186E+00 -6.4533E+00  1.9043E+01
 -7.6172E+00 -9.8541E-01  4.3184E-01
  2.2360E+03 -4.2660E+02 -1.6195E+02
OH             590    0.000000   -0.683000
  1.2177E+00 -7.5583E+00  1.9896E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             591    1.008000    0.418000
  5.8835E-01 -8.2002E+00  1.9605E+01
 -3.1502E+00 -6.1293E+00  1.8910E+01
 -4.3362E+02  9.5297E+02  2.4444E+02
HC             592    1.008000    0.040000
  1.1005E+00 -6.8834E+00  1.8045E+01
 -6.1411E+00  6.3848E+00 -2.6892E+00
 -4.0605E+02  2.2985E+03 -1.0662E+03
HC             593    1.008000    0.040000
  1.8470E+00 -5.7705E+00  1.9232E+01
 -9.6890E+00  1.1058E+00  2.0201E+00
 -8.6673E+02  1.4234E+03 -6.7492E+02
HC             594    1.008000    0.040000
  6.0075E-02 -5.9792E+00  1.9254E+01
  1.8424E+00  1.0199E+01  2.1370E+01
  1.0033E+03  3.1930E+02 -9.9756E+00
CT             595   12.011000    0.145000
  1.3679E+01 -1.2329E+01  1.5094E+01
  5.7751E+00 -7.0192E+00 -4.0917E+00
 -2.0211E+03  9.6905E+02  2.6525E+03
OH             596    0.000000   -0.683000
  1.2577E+01 -1.3208E+01  1.5070E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             597    1.008000    0.418000
  1.1865E+01 -1.2668E+01  1.5377E+01
 -1.6060E+01 -1.2201E+01 -1.3804E+01
 -6.3186E+02 -3.5093E+03  2.7974E+03
HC             598    1.008000    0.040000
  1.3376E+01 -1.1409E+01  1.4594E+01
 -8.1613E+00 -1.4892E+01 -1.0750E+01
  2.2345E+03 -9.5025E+02 -2.4122E+03
HC             599    1.008000    0.040000
  1.4578E+01 -1.2847E+01  1.4759E+01
 -3.0812E+00 -1.9943E+01 -8.6720E+00
 -9.3794E+00  1.2903E+03 -2.2766E+02
HC             600    1.008000    0.040000
  1.3690E+01 -1.2037E+01  1.6144E+01
  7.3826E+00 -2.2853E+00 -5.4013E+00
  4.0480E+03 -7.2664E+02  3.5210E+02
CT             601   12.011000    0.145000
  1.9962E+01  2.7331E-01  1.5854E+01
  9.3878E-01  4.5240E+00  3.8268E+00
  4.1687E+03 -3.4523E+03 -1.8818E+03
OH             602    0.000000   -0.683000
  1.9832E+01 -6.2221E-01  1.6935E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             603    1.008000    0.418000
  1.9146E+01 -1.2467E+00  1.6755E+01
 -5.0723E-01  5.2368E+00 -1.8231E+01
 -2.0672E+03  3.1618E+03 -2.1158E+03
HC             604    1.008000    0.040000
 -1.9881E+01  5.3540E-01  1.5888E+01
  6.2337E+00 -8.4559E+00 -2.6947E+01
 -1.9402E+03  3.7851E+03 -8.1396E+02
HC             605    1.008000    0.040000
  1.9251E+01  1.0988E+00  1.5828E+01
  4.1512E+00  7.4101E+00  6.5804E+00
  5.0621E+02 -1.6682E+02  2.1161E+02
HC             606    1.008000    0.040000
  1.9979E+01 -3.1206E-01  1.4935E+01
  1.0428E+01  9.5626E+00  6.6147E-01
 -1.6903E+03  9.6328E+02 -7.9559E+02
CT             607   12.011000    0.145000
  4.8573E+00  1.1739E+01  8.0150E+00
  1.2456E+00  3.2569E+00  3.9950E-02
  1.9341E+03  2.1110E+02  3.7004E+03
OH             608    0.000000   -0.683000
  3.6751E+00  1.2179E+01  8.6445E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             609    1.008000    0.418000
  3.6631E+00  1.2078E+01  9.5839E+00
  3.5926E+00  2.3839E+01  3.2606E+00
  4.9218E+03 -3.2494E+02 -6.2603E+02
HC             610    1.008000    0.040000
  4.7071E+00  1.0667E+01  8.1447E+00
  1.6759E+01  2.6972E+00  1.7618E+01
  3.5283E+03 -3.1415E+02 -3.9575E+03
HC             611    1.008000    0.040000
  5.8014E+00  1.1958E+01  8.5135E+00
  1.0921E+00 -2.0548E+01  1.2255E+01
 -1.5382E+03 -5.4719E+02  2.6361E+03
HC             612    1.008000    0.040000
  5.0467E+00  1.2169E+01  7.0315E+00
  1.5561E+01 -1.1947E+01 -4.3121E+00
 -2.6483E+03 -3.2431E+03 -1.2128E+03
CT             613   12.011000    0.145000
  2.4092E+00 -1.5707E+01 -1.9918E+01
  3.2618E+00 -3.9275E+00  4.9351E-01
  1.5824E+03  1.7320E+03  1.6104E+03
OH             614    0.000000   -0.683000
  1.7802E+00 -1.6071E+01 -1.8709E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             615    1.008000    0.418000
  1.2652E+00 -1.5304E+01 -1.8510E+01
  2.4694E+00  4.2369E-01  4.8885E+00
 -2.0489E+03 -1.9544E+03  2.0245E+03
HC             616    1.008000    0.040000
  1.8073E+00 -1.4851E+01 -2.0223E+01
  1.5256E+01  2.1647E+00 -6.8479E+00
  1.3603E+03 -3.2382E+02 -3.2236E+03
HC             617    1.008000    0.040000
  2.4001E+00 -1.6533E+01  2.0271E+01
 -1.1029E+01 -9.9677E+00  7.2925E+00
  2.2452E+02  7.6033E+02 -1.3404E+02
HC             618    1.008000    0.040000
  3.3854E+00 -1.5293E+01 -1.9665E+01
 -5.3748E+00  3.0680E+01 -1.6630E+01
 -5.7617E+02 -1.8957E+02 -2.3004E+03
CT             619   12.011000    0.145000
  1.9184E+01 -7.9114E-01  1.0844E+01
  4.3336E+00 -8.4237E-02 -2.7949E+00
 -2.6517E+03  3.7958E+03 -2.8582E+03
OH             620    0.000000   -0.683000
  1.8607E+01 -1.7504E+00  9.9872E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             621    1.008000    0.418000
  1.7826E+01 -1.4320E+00  9.5610E+00
 -2.0811E+01 -1.7739E+01  2.1992E+01
  2.2247E+01  8.1971E+02  3.0424E+03
HC             622    1.008000    0.040000
  1.8407E+01 -2.5034E-01  1.1385E+01
 -1.7010E+01 -2.2070E+01 -9.6469E+00
 -5.7048E+02 -3.8619E+03  2.1335E+03
HC             623    1.008000    0.040000
  1.9621E+01  1.0349E-01  1.0400E+01
  1.3855E+01  1.7237E+01  3.7038E+01
  1.9169E+03 -3.5935E+03 -8.0784E+02
HC             624    1.008000    0.040000
  1.9935E+01 -1.3050E+00  1.1445E+01
  1.2147E+01  2.6970E+00 -9.9794E+00
 -2.4658E+02  2.1429E+03  1.1006E+03
CT             625   12.011000    0.145000
  1.2746E+01  9.3589E+00 -1.4489E+01
 -5.7513E+00  3.4423E+00 -6.2241E-01
  5.4076E+02  1.9781E+03  2.6531E+03
OH             626    0.000000   -0.683000
  1.3437E+01  1.0374E+01 -1.5184E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             627    1.008000    0.418000
  1.4353E+01  1.0194E+01 -1.5330E+01
  3.5807E+00  1.8283E+01 -2.4631E+00
 -9.1038E+02 -1.9239E+03  2.2518E+02
HC             628    1.008000    0.040000
  1.2647E+01  8.3684E+00 -1.4933E+01
 -1.8943E+01  1.4876E+01 -2.5210E+01
  2.7414E+03  1.7551E+03 -2.1679E+03
HC             629    1.008000    0.040000
  1.1710E+01  9.6303E+00 -1.4286E+01
 -3.9483E+00  8.6090E+00  1.8453E+00
  8.6920E+01  1.3503E+03 -1.3160E+03
HC             630    1.008000    0.040000
  1.3177E+01  9.3322E+00 -1.3488E+01
  1.1960E+01  1.9950E+01 -7.1684E+00
  1.1900E+03 -9.5701E+02 -9.0386E+02
CT             631   12.011000    0.145000
 -1.2540E+01 -5.3832E+00  1.7818E+01
  2.1926E+00  1.2006E+00 -2.4488E+00
  2.4990E+03 -1.1619E+03 -4.8632E+03
OH             632    0.000000   -0.683000
 -1.3633E+01 -4.8432E+00  1.7109E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             633    1.008000    0.418000
 -1.4263E+01 -4.5411E+00  1.7746E+01
  1.7755E+01  2.3785E+01  7.7676E+00
  2.6447E+03 -6.1975E+02  1.6742E+03
HC             634    1.008000    0.040000
 -1.1828E+01 -5.6212E+00  1.7027E+01
 -1.2121E+01 -2.1448E+01 -9.4885E+00
  9.8899E+02  7.6166E+02  1.2370E+03
HC             635    1.008000    0.040000
 -1.2742E+01 -6.3753E+00  1.8222E+01
  9.3720E+00  4.7407E+00  1.0406E+01
 -5.4114E+02  1.1853E+03  2.0599E+03
HC             636    1.008000    0.040000
 -1.2060E+01 -4.7035E+00  1.8522E+01
  3.2546E+01 -1.0543E+01 -1.0236E+01
 -1.0198E+03 -1.4333E+03 -3.1952E+01
CT             637   12.011000    0.145000
 -1.2158E+01  9.7857E+00 -4.4386E+00
  1.6838E+00  1.5836E+00 -1.9826E+00
  4.3306E+02  1.0969E+02 -1.2652E+03
OH             638    0.000000   -0.683000
 -1.3309E+01  1.0490E+01 -4.8490E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             639    1.008000    0.418000
 -1.3421E+01  1.1185E+01 -4.2193E+00
  3.0345E+01 -1.0519E+00  8.1435E+00
 -1.1527E+03 -1.9543E+03  1.5394E+02
HC             640    1.008000    0.040000
 -1.2336E+01  8.8742E+00 -3.8680E+00
  1.3153E+01 -6.0732E+00 -1.0182E+01
 -5.1174E+02  1.0445E+02 -6.0237E+02
HC             641    1.008000    0.040000
 -1.1564E+01  1.0492E+01 -3.8587E+00
 -1.4121E+01  1.3612E+01  2.6293E-01
  1.7149E+03 -5.9794E+02 -2.0700E+03
HC             642    1.008000    0.040000
 -1.1902E+01  9.6188E+00 -5.4848E+00
 -8.2614E+00  2.7762E+01 -9.3992E+00
  4.9457E+03 -1.8737E+03  2.7297E+03
CT             643   12.011000    0.145000
 -6.8599E+00 -1.5425E+00 -1.4477E+01
  1.9709E+00 -3.5303E+00 -1.1043E+00
  1.0402E+03  4.5489E+01 -8.0382E+02
OH             644    0.000000   -0.683000
 -7.5955E+00 -1.5720E+00 -1.5679E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             645    1.008000    0.418000
 -7.8392E+00 -2.4850E+00 -1.5680E+01
  1.1921E+00 -1.2045E+00  2.7852E+01
 -8.2973E+02  1.1111E+03 -1.2738E+02
HC             646    1.008000    0.040000
 -6.2788E+00 -6.2219E-01 -1.4417E+01
 -1.9641E+01  9.8879E+00  2.4072E+01
 -2.1262E+03  2.8974E+02  1.8190E+03
HC             647    1.008000    0.040000
 -6.1763E+00 -2.3771E+00 -1.4321E+01
 -1.4498E+01 -1.8800E+01 -7.1839E+00
 -6.1113E+02 -5.8455E+02 -2.8148E+03
HC             648    1.008000    0.040000
 -7.5019E+00 -1.6899E+00 -1.3608E+01
  6.2093E+00 -1.4409E+01  3.4078E-01
 -2.5454E+02  2.5607E+03 -1.9752E+02
CT             649   12.011000    0.145000
  9.8637E+00  2.8585E+00  1.5429E+01
 -3.6541E+00 -3.1950E+00  3.9971E-01
  7.2942E+03  1.7753E+03 -9.5396E+02
OH             650    0.000000   -0.683000
  1.0134E+01  2.7297E+00  1.6807E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             651    1.008000    0.418000
  1.0846E+01  3.2753E+00  1.7103E+01
  8.8092E+00 -6.2859E-01 -1.8607E+01
  1.0322E+03 -4.4443E+02 -2.4218E+03
HC             652    1.008000    0.040000
  9.0667E+00  2.2381E+00  1.5019E+01
  6.8239E+00 -6.6401E+00 -1.5689E+01
 -3.7410E+02  1.4515E+03  1.1618E+03
HC             653    1.008000    0.040000
  1.0716E+01  2.6380E+00  1.4787E+01
 -1.4094E+01  1.5713E+01 -2.1428E+01
 -1.6096E+02 -1.7345E+03  1.4148E+03
HC             654    1.008000    0.040000
  9.8433E+00  3.9162E+00  1.5166E+01
  2.1567E+00 -2.4625E+00  2.7471E+00
 -3.1559E+03  3.1727E+01  3.2114E+02
CT             655   12.011000    0.145000
  7.9409E+00 -1.2197E+01 -5.9864E+00
  5.9980E-01  1.7742E+00 -8.2757E+00
  6.2283E+02 -3.0075E+03  5.7945E+02
OH             656    0.000000   -0.683000
  6.6836E+00 -1.2799E+01 -6.1979E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             657    1.008000    0.418000
  6.0349E+00 -1.2125E+01 -6.0662E+00
 -9.3638E-01 -2.7944E-01 -3.0983E+00
  2.4856E+03  1.7736E+03  2.5197E+03
HC             658    1.008000    0.040000
  7.8528E+00 -1.1162E+01 -5.6555E+00
  6.1505E+00 -3.3013E-01  1.0149E-01
  1.0722E+03  1.9113E+02 -1.5108E+03
HC             659    1.008000    0.040000
  8.3791E+00 -1.2394E+01 -6.9649E+00
  2.3894E+01  7.3018E+00  3.8320E-01
  2.6902E+03  3.7166E+03  7.8112E+02
HC             660    1.008000    0.040000
  8.4727E+00 -1.2764E+01 -5.2218E+00
 -2.7941E+00  8.0238E+00 -1.1524E+00
  6.4152E+02  4.1988E+02  1.1289E+01
CT             661   12.011000    0.145000
 -6.4546E+00  1.3703E+01  1.3128E+01
  3.2967E-01 -3.1759E+00  2.6765E+00
  1.5169E+03  3.4259E+03  2.8257E+03
OH             662    0.000000   -0.683000
 -5.1174E+00  1.3508E+01  1.2725E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             663    1.008000    0.418000
 -5.0229E+00  1.3323E+01  1.1804E+01
  2.1903E+01  3.9220E+01 -7.9161E+00
 -3.0791E+03  1.4232E+03  1.8174E+03
HC             664    1.008000    0.040000
 -6.7936E+00  1.4635E+01  1.2675E+01
 -1.1408E+01  1.5891E+01  4.5578E+01
 -2.0130E+03 -2.1402E+03  1.7329E+03
HC             665    1.008000    0.040000
 -6.3214E+00  1.3966E+01  1.4177E+01
  7.8165E+00  3.1146E+01 -5.6391E+00
 -1.6185E+03  1.7595E+03 -9.9310E+02
HC             666    1.008000    0.040000
 -7.1915E+00  1.2900E+01  1.3128E+01
  3.4478E+00 -6.2365E+00 -8.9739E+00
  1.5530E+03 -1.0431E+03 -3.4843E+03
CT             667   12.011000    0.145000
 -1.5598E+01  2.3663E-02 -1.2485E+01
 -2.0595E+00 -2.9618E+00  2.0836E+00
  1.2395E+03  1.8785E+03 -2.1842E+03
OH             668    0.000000   -0.683000
 -1.4611E+01 -9.1431E-01 -1.2851E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             669    1.008000    0.418000
 -1.4038E+01 -9.5055E-01 -1.2101E+01
 -1.7581E+01 -5.1333E+00  1.3883E+01
 -1.5232E+03 -4.5321E+02  6.2567E+02
HC             670    1.008000    0.040000
 -1.5872E+01 -1.8846E-01 -1.1452E+01
  9.4487E+00  1.7635E+01  9.9635E+00
 -2.1224E+03  2.3885E+03 -8.8227E+02
HC             671    1.008000    0.040000
 -1.6406E+01  6.6377E-02 -1.3216E+01
 -1.2143E+01  8.7666E+00  1.3414E+01
 -1.5048E+03 -1.1980E+03  1.9152E+03
HC             672    1.008000    0.040000
 -1.5098E+01  9.8672E-01 -1.2589E+01
  5.1736E+00 -5.9046E+00  8.6408E+00
 -4.4616E+02  7.1534E+02  2.9828E+03
CT             673   12.011000    0.145000
 -1.5079E+01 -1.9725E+01 -3.6854E+00
 -9.1568E+00 -5.7201E+00 -2.7722E+00
  2.9435E+02 -8.0961E+02  1.9305E+03
OH             674    0.000000   -0.683000
 -1.4364E+01  1.9971E+01 -3.5189E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             675    1.008000    0.418000
 -1.5047E+01  1.9325E+01 -3.4170E+00
  1.6939E+01 -1.7219E+01  1.1311E+01
  3.1406E+03 -2.8282E+03 -5.0405E+02
HC             676    1.008000    0.040000
 -1.5793E+01 -1.9778E+01 -4.5079E+00
 -3.2898E+00 -5.6037E+00 -7.9419E+00
 -5.7398E+02 -5.1132E+02  8.2078E+02
HC             677    1.008000    0.040000
 -1.4280E+01 -1.9026E+01 -3.9311E+00
 -1.5832E+01  1.2221E+00 -5.1143E+00
 -2.9289E+03  3.5082E+03  6.0942E+02
HC             678    1.008000    0.040000
 -1.5485E+01 -1.9509E+01 -2.6972E+00
  7.8594E+00  4.3366E+01 -3.8079E+00
 -1.6424E+03  2.5758E+03 -3.4766E+03
CT             679   12.011000    0.145000
 -6.7925E+00 -1.7863E+01 -1.2219E+01
  8.3412E-01  2.6210E+00  5.0808E+00
 -1.1635E+03  1.5655E+03  1.7716E+03
OH             680    0.000000   -0.683000
 -6.5042E+00 -1.6659E+01 -1.2894E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             681    1.008000    0.418000
 -7.1048E+00 -1.6642E+01 -1.3623E+01
 -1.2083E+00  2.2330E+01  8.1695E-01
  2.2040E+03  3.4040E+03 -1.3909E+03
HC             682    1.008000    0.040000
 -6.1063E+00 -1.8627E+01 -1.2585E+01
 -5.7248E-01  1.5680E+00  4.6317E+00
 -1.4853E+03 -1.2625E+03  4.4983E+02
HC             683    1.008000    0.040000
 -7.8265E+00 -1.8017E+01 -1.2528E+01
  8.4729E+00 -5.0702E+00 -1.8924E+01
  7.9497E+02 -3.2041E+03  1.0216E+03
HC             684    1.008000    0.040000
 -6.7479E+00 -1.7636E+01 -1.1154E+01
 -1.9577E+01  2.9331E+01  1.3284E+00
  8.2941E+02 -1.2076E+03 -8.8562E+02
CT             685   12.011000    0.145000
 -6.7641E+00 -1.2103E+01  7.7972E+00
  4.1392E+00  4.9183E+00 -3.3556E-01
  6.2386E+02  1.3501E+02 -7.2540E+02
OH             686    0.000000   -0.683000
 -5.6886E+00 -1.3010E+01  7.8860E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             687    1.008000    0.418000
 -5.1107E+00 -1.2715E+01  7.1991E+00
  4.5093E+00 -1.1743E+00  3.2414E+00
  9.8868E+02  1.2603E+03  1.3908E+03
HC             688    1.008000    0.040000
 -6.5161E+00 -1.1113E+01  8.1800E+00
  1.4706E+01 -3.4475E+00  1.5594E+01
  1.3062E+03 -1.0714E+03  1.2014E+03
HC             689    1.008000    0.040000
 -7.6888E+00 -1.2457E+01  8.2525E+00
  4.8099E+00 -2.2799E+01 -1.8164E+01
  1.7854E+03 -1.3747E+03  2.5186E+02
HC             690    1.008000    0.040000
 -6.9808E+00 -1.1933E+01  6.7425E+00
  1.5810E+01 -6.8005E+00 -4.8957E+00
 -3.9639E+02 -1.6200E+03  4.4895E+00
CT             691   12.011000    0.145000
  1.3897E+01  1.3153E+01  1.6057E+01
 -3.7229E+00  1.2057E+00  1.3433E+00
  1.9623E+02  2.0229E+02 -6.2990E+02
OH             692    0.000000   -0.683000
  1.3289E+01  1.2191E+01  1.5224E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             693    1.008000    0.418000
  1.3694E+01  1.1355E+01  1.5398E+01
 -2.1624E+00 -4.9149E+00 -1.6829E+01
 -3.6152E+02 -6.2399E+00 -7.1188E+02
HC             694    1.008000    0.040000
  1.3720E+01  1.4069E+01  1.5493E+01
 -1.0497E+01 -4.4638E+00 -5.9694E+00
  1.0419E+03  1.0132E+03  1.6746E+03
HC             695    1.008000    0.040000
  1.4935E+01  1.2906E+01  1.6278E+01
 -1.5627E+01 -5.3773E+01  1.0442E+01
 -2.5411E+03 -3.0755E+02 -2.9477E+03
HC             696    1.008000    0.040000
  1.3501E+01  1.3301E+01  1.7062E+01
  1.0980E+01  2.4947E+01  4.4252E+00
 -1.4971E+03 -8.1752E+02 -1.5140E+03
CT             697   12.011000    0.145000
 -9.5088E+00  6.2681E+00 -4.6374E+00
 -1.1769E+00  8.4317E-01 -2.7909E+00
  2.2435E+03 -1.6285E+03  5.2725E+02
OH             698    0.000000   -0.683000
 -8.6353E+00  7.3745E+00 -4.6680E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             699    1.008000    0.418000
 -7.8143E+00  7.0926E+00 -5.0417E+00
  4.3347E+00 -8.6480E+00  1.5178E+01
 -9.9491E+02 -1.6642E+03 -1.2389E+02
HC             700    1.008000    0.040000
 -9.5296E+00  5.7838E+00 -5.6137E+00
  1.0921E+01 -7.4954E+00  8.5353E-01
 -3.4601E+03  8.9094E+02  9.3113E+01
HC             701    1.008000    0.040000
 -1.0464E+01  6.5402E+00 -4.1891E+00
  9.2780E+00 -4.2575E+00  2.4563E+01
  4.9026E+02 -1.0819E+03 -8.9002E+02
HC             702    1.008000    0.040000
 -9.0499E+00  5.4926E+00 -4.0241E+00
 -1.4686E+01 -1.4708E+01 -1.1528E+01
 -1.4001E+03 -2.9431E+02  3.4118E+02
CT             703   12.011000    0.145000
 -1.3686E+01  1.4368E+01  3.0528E+00
  1.4243E+00  2.9250E+00  1.4022E+00
  3.1079E+02  3.0027E+02 -2.7898E+02
OH             704    0.000000   -0.683000
 -1.4613E+01  1.5157E+01  2.3411E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             705    1.008000    0.418000
 -1.5315E+01  1.4528E+01  2.2675E+00
 -8.6741E+00  9.6047E+00 -1.5804E+00
 -2.3671E+03  3.2059E+03 -4.6417E+03
HC             706    1.008000    0.040000
 -1.3292E+01  1.3638E+01  2.3456E+00
 -7.0175E+00  1.3884E+01 -1.5274E+01
  5.1327E+02  4.3977E+02  5.4145E+02
HC             707    1.008000    0.040000
 -1.4257E+01  1.3837E+01  3.8141E+00
  9.8102E+00  6.6570E+00  1.0518E+01
  1.6112E+03  3.6231E+02  1.3082E+03
HC             708    1.008000    0.040000
 -1.2891E+01  1.4982E+01  3.4755E+00
  9.9309E+00 -4.1454E-01 -9.2820E+00
  3.0570E+02 -8.1781E+02  2.2400E+02
CT             709   12.011000    0.145000
 -9.0572E+00  6.6032E+00 -1.2273E+00
 -1.9958E+00 -9.3817E-01  1.3061E+00
  3.3473E+03  2.5228E+03  3.4709E+02
OH             710    0.000000   -0.683000
 -8.2587E+00  5.5289E+00 -7.8392E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             711    1.008000    0.418000
 -8.6872E+00  4.9950E+00 -1.3243E-01
  2.4191E+01 -3.7554E+01 -1.1597E+01
  8.2599E+02 -1.4916E+02 -2.5574E+03
HC             712    1.008000    0.040000
 -9.3566E+00  7.1552E+00 -3.3636E-01
 -9.7715E+00 -1.7838E+01  9.6310E+00
 -4.6839E+03 -1.9605E+03 -5.1141E+02
HC             713    1.008000    0.040000
 -9.7528E+00  6.0693E+00 -1.8746E+00
  2.3100E+00 -1.0530E+01  4.4048E+00
 -3.8780E+03  3.4552E+03  2.3702E+03
HC             714    1.008000    0.040000
 -8.5064E+00  7.3801E+00 -1.7576E+00
 -9.0378E-01  6.6273E+00  1.3148E+01
  8.1602E+02 -1.9331E+03 -1.8611E+03
CT             715   12.011000    0.145000
 -1.4593E+01  2.3300E+00 -9.0908E+00
  1.6653E+00  8.5258E-01  2.3598E+00
  1.0879E+03  1.9344E+03  4.6292E+03
OH             716    0.000000   -0.683000
 -1.4779E+01  1.0612E+00 -8.5048E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             717    1.008000    0.418000
 -1.5342E+01  1.0732E+00 -7.7462E+00
  1.8393E+01  1.2927E+01  1.4398E+01
 -5.1204E+01  3.4176E+03 -9.1302E+02
HC             718    1.008000    0.040000
 -1.3527E+01  2.5375E+00 -8.9973E+00
  5.3320E+00 -2.0397E+01  1.4166E+01
 -2.2765E+02 -4.8099E+02 -1.6630E+03
HC             719    1.008000    0.040000
 -1.5072E+01  3.0955E+00 -8.4804E+00
 -1.6592E+01 -7.5136E+00 -8.0114E-01
 -1.4207E+03 -5.6510E+02 -3.4338E+02
HC             720    1.008000    0.040000
 -1.4933E+01  2.4236E+00 -1.0122E+01
  8.3425E+00 -2.4011E+00 -2.0274E-01
  6.4205E+02 -7.8488E+02  1.5466E+02
CT             721   12.011000    0.145000
 -7.4571E+00 -1.1957E+01 -1.7302E+01
 -4.9566E+00  6.2407E+00  6.2869E+00
 -2.2763E+03  1.2641E+03  4.4715E+03
OH             722    0.000000   -0.683000
 -6.2982E+00 -1.1856E+01 -1.6505E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             723    1.008000    0.418000
 -6.4206E+00 -1.2086E+01 -1.5597E+01
 -6.1045E+00 -8.7094E+00 -2.8899E+00
 -4.6574E+03 -9.1153E+02 -8.7214E+02
HC             724    1.008000    0.040000
 -7.2627E+00 -1.1812E+01 -1.8364E+01
 -1.3705E+01 -1.1887E+01  1.8008E+00
 -1.6781E+02 -1.0073E+03  5.6057E+02
HC             725    1.008000    0.040000
 -8.1632E+00 -1.1195E+01 -1.6972E+01
 -1.7955E+01 -1.1113E+00 -3.5746E+00
 -7.8105E+02 -2.1648E+02 -8.6182E+02
HC             726    1.008000    0.040000
 -7.8710E+00 -1.2951E+01 -1.7132E+01
  3.1461E+01 -1.2344E+01 -3.3405E+00
  4.4091E+02  1.0849E+03 -2.2220E+03
CT             727   12.011000    0.145000
  2.2514E+00  1.1343E+01  5.4737E+00
  8.3920E+00  3.5196E+00 -7.1249E-01
 -4.7813E+02 -2.0674E+03 -1.2066E+03
OH             728    0.000000   -0.683000
  1.9848E+00  1.1683E+01  4.1316E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             729    1.008000    0.418000
  1.6731E+00  1.0935E+01  3.6453E+00
 -2.3874E+01  8.1790E+00  1.4133E+00
  2.0485E+03 -8.8841E+02  1.8521E+03
HC             730    1.008000    0.040000
  1.3793E+00  1.0860E+01  5.9146E+00
  1.1619E+01  7.7470E+00  1.0657E+01
 -2.8211E+02  7.0235E+02  5.8055E+01
HC             731    1.008000    0.040000
  2.4901E+00  1.2201E+01  6.1020E+00
  1.4065E+01  4.9703E+00 -4.7684E+00
 -2.7550E+01  5.0452E+02 -1.0859E+03
HC             732    1.008000    0.040000
  3.0258E+00  1.0584E+01  5.5902E+00
 -1.2101E+01 -1.8910E+01 -2.5255E+00
 -3.3983E+02  6.4980E+02 -1.1552E+03
CT             733   12.011000    0.145000
  8.7208E+00 -1.8370E+01 -1.0779E+01
  4.0720E-01 -1.2189E+00  9.6855E-01
 -4.4677E+03  6.4816E+03 -4.5709E+02
OH             734    0.000000   -0.683000
  7.6498E+00 -1.9132E+01 -1.1290E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             735    1.008000    0.418000
  7.0631E+00 -1.8577E+01 -1.1781E+01
  1.0641E+00  8.0454E+00  7.5520E+00
  1.8495E+02  1.2359E+03  1.2770E+03
HC             736    1.008000    0.040000
  9.5853E+00 -1.8898E+01 -1.0377E+01
  1.8113E+01  1.3401E+01 -1.5873E+01
 -8.3327E+02  9.0246E+02 -5.5906E+02
HC             737    1.008000    0.040000
  8.2378E+00 -1.7710E+01 -1.0058E+01
  1.8001E+01  1.3249E+01  2.2787E-01
  2.3636E+03 -6.5279E+02  2.2892E+03
HC             738    1.008000    0.040000
  9.0255E+00 -1.7580E+01 -1.1465E+01
  1.5785E+01  2.2091E+01  3.2069E+01
  2.6451E+03 -2.3632E+03  5.8554E+02
CT             739   12.011000    0.145000
 -9.0238E+00  1.0732E+01  1.0020E+01
 -2.7511E+00  1.4965E+00 -2.5477E+00
 -5.9965E+03  4.9719E+03 -1.2665E+02
OH             740    0.000000   -0.683000
 -9.9100E+00  9.6935E+00  1.0373E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             741    1.008000    0.418000
 -1.0195E+01  9.7637E+00  1.1271E+01
  6.5129E+00 -3.2722E+01  5.9029E+00
  3.1170E+03 -1.5225E+03  1.0911E+02
HC             742    1.008000    0.040000
 -9.2205E+00  1.1537E+01  1.0727E+01
  3.6736E-01  8.4350E+00 -9.4361E+00
  1.5332E+03  1.8216E+02  6.6095E+02
HC             743    1.008000    0.040000
 -9.3348E+00  1.1167E+01  9.0699E+00
  3.1046E+01 -1.4107E+01 -2.2653E+01
  1.6397E+03 -1.8749E+03 -3.2480E+02
HC             744    1.008000    0.040000
 -7.9440E+00  1.0599E+01  9.9516E+00
 -3.2641E+00 -9.3402E+00  7.2843E+00
 -9.3742E+02 -3.3655E+03  1.0597E+03
CT             745   12.011000    0.145000
 -1.9662E+01 -9.5787E+00 -7.0945E+00
  1.9090E-01 -1.2495E+00 -1.1131E+00
  1.6034E+03 -8.4006E+02 -1.4950E+03
OH             746    0.000000   -0.683000
 -1.9131E+01 -1.0400E+01 -6.0789E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             747    1.008000    0.418000
 -1.9183E+01 -1.1296E+01 -6.3737E+00
 -2.1102E+01  9.4638E-01 -6.1245E-01
 -1.2390E+03  1.4307E+03 -2.9167E+03
HC             748    1.008000    0.040000
 -1.9429E+01 -8.5139E+00 -7.0879E+00
  9.5734E-02 -1.2336E+00 -2.0576E-01
 -2.5264E+02 -2.6522E+01  3.8051E+03
HC             749    1.008000    0.040000
  2.0156E+01 -9.7018E+00 -7.0740E+00
  2.1491E+00 -2.1027E+01  1.4164E+01
  6.8161E+02  4.2980E+02  2.7090E+02
HC             750    1.008000    0.040000
 -1.9220E+01 -9.8276E+00 -8.0597E+00
 -1.8514E+00  5.8339E+00 -3.9378E+00
 -1.1182E+03 -1.2117E+03 -3.1219E+02
CT             751   12.011000    0.145000
  1.7357E+00  1.1180E+01 -4.3775E+00
 -2.1383E+00  2.7246E+00 -1.3771E+00
  5.3799E+02  3.4593E+03  3.0695E+03
OH             752    0.000000   -0.683000
  2.8433E+00  1.1684E+01 -5.0896E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             753    1.008000    0.418000
  3.2475E+00  1.2373E+01 -4.5844E+00
 -1.0285E+01 -4.4813E+00  1.5037E+01
 -3.1290E+03  5.5693E+02  1.3958E+03
HC             754    1.008000    0.040000
  1.2310E+00  1.1995E+01 -3.8585E+00
  1.8656E+01  2.1428E+01 -8.9059E+00
  6.1840E+02  6.4172E+02 -1.1509E+03
HC             755    1.008000    0.040000
  2.1868E+00  1.0533E+01 -3.6253E+00
  8.9323E+00 -1.2738E+00 -1.1145E+01
 -1.8735E+03 -1.9579E+03 -8.7218E+02
HC             756    1.008000    0.040000
  1.0066E+00  1.0667E+01 -5.0047E+00
 -5.6419E+00 -1.6124E+00  6.1036E+00
  1.3859E+02 -9.6823E+02  1.2464E+03
CT             757   12.011000    0.145000
 -1.5341E+01 -1.2887E+01  1.1606E+01
  3.9988E-01  1.7913E+00  4.7658E-01
 -2.9905E+02  2.5160E+03 -6.5778E+02
OH             758    0.000000   -0.683000
 -1.4171E+01 -1.2942E+01  1.0822E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             759    1.008000    0.418000
 -1.3949E+01 -1.3860E+01  1.0826E+01
  1.3180E+01  2.9885E+00  1.2339E+00
  2.9987E+03  7.6675E+02 -7.8024E+02
HC             760    1.008000    0.040000
 -1.6153E+01 -1.2921E+01  1.0879E+01
  2.3071E+01  1.2566E+01 -2.7260E+01
  2.4533E+02 -1.4792E+02  1.8965E+03
HC             761    1.008000    0.040000
 -1.5315E+01 -1.1906E+01  1.2081E+01
 -4.0087E+00  8.7816E+00 -1.3163E+01
 -1.6648E+03  2.5125E+02 -4.8663E+02
HC             762    1.008000    0.040000
 -1.5466E+01 -1.3637E+01  1.2387E+01
 -2.9706E+01  4.7231E+00 -3.3267E-01
  5.2379E+02  1.1710E+02 -1.3250E+03
CT             763   12.011000    0.145000
  9.3217E-01 -4.8814E+00  5.1360E+00
  1.3664E+00  2.8978E+00  4.2700E-01
 -5.3444E+02  2.5551E+02 -5.1401E+01
OH             764    0.000000   -0.683000
  5.5432E-01 -4.9069E+00  6.4941E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             765    1.008000    0.418000
 -1.8340E-01 -5.4678E+00  6.6792E+00
 -1.3842E+01  1.5169E+01 -6.6853E+00
 -1.6963E+03  1.6356E+03 -3.0221E+03
HC             766    1.008000    0.040000
  1.8810E+00 -4.3967E+00  4.9058E+00
 -1.8932E+00  4.8646E+00 -9.3493E+00
  1.4853E+01  6.4608E+02  2.5060E+03
HC             767    1.008000    0.040000
  2.0767E-01 -4.3044E+00  4.5612E+00
 -1.0793E+01 -8.4544E+00  3.8570E+00
 -1.2476E+03 -1.7801E+03 -1.8263E+01
HC             768    1.008000    0.040000
  1.0076E+00 -5.8634E+00  4.6690E+00
 -2.6680E+01 -1.0465E+00  2.4633E+00
 -1.8777E+03 -2.1089E+02  1.4783E+03
CT             769   12.011000    0.145000
 -1.6405E+01 -1.4172E+01 -5.1772E+00
 -3.6836E+00  1.4441E+00 -2.3523E-03
  1.0380E+03 -2.5570E+03 -1.1024E+03
OH             770    0.000000   -0.683000
 -1.6182E+01 -1.3617E+01 -6.4540E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             771    1.008000    0.418000
 -1.5435E+01 -1.4032E+01 -6.8568E+00
 -6.9622E+00 -1.3806E+01  7.1505E-01
  7.5817E+02 -1.2954E+03  3.2566E+03
HC             772    1.008000    0.040000
 -1.5701E+01 -1.4996E+01 -5.0585E+00
 -1.6219E+01 -8.8088E+00  5.6567E+00
  8.9607E+02  1.0068E+03  3.7353E+02
HC             773    1.008000    0.040000
 -1.7369E+01 -1.4668E+01 -5.0610E+00
 -1.2932E+01  2.1331E+01  1.3922E+01
 -6.6164E+02  2.1711E+03 -3.3388E+02
HC             774    1.008000    0.040000
 -1.6328E+01 -1.3450E+01 -4.3649E+00
 -1.7979E+01 -5.8945E+00  8.2884E+00
  4.8636E+02 -5.4689E+02 -2.6440E+02
CT             775   12.011000    0.145000
  1.7381E+00  4.6228E+00 -1.1273E+01
 -2.7343E+00 -6.4264E-01 -2.4614E+00
 -5.3724E+02  1.1371E+03 -5.7003E+02
OH             776    0.000000   -0.683000
  7.8142E-01  4.8205E+00 -1.0257E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             777    1.008000    0.418000
  1.4104E+00  5.0888E+00 -9.6044E+00
 -9.0658E+00  4.8558E+00  6.9814E+00
 -3.7457E+03 -1.4266E+03  4.2023E+03
HC             778    1.008000    0.040000
  1.4495E+00  4.6757E+00 -1.2323E+01
  4.2390E+00  3.0058E+00 -4.2561E+00
 -2.5742E+03 -1.2788E+03  7.4919E+02
HC             779    1.008000    0.040000
  2.3054E+00  3.7132E+00 -1.1076E+01
  6.3319E+00  4.9562E+00 -2.1413E+00
 -4.3126E+02 -1.2318E+02 -6.3114E+02
HC             780    1.008000    0.040000
  2.4492E+00  5.4459E+00 -1.1204E+01
 -1.8621E+01  1.3686E+01 -3.0353E+00
 -7.6988E+02  1.6855E+02  5.4209E+02
CT             781   12.011000    0.145000
  1.6693E+01 -2.1714E+00  2.1322E-01
 -4.1494E+00 -2.2811E+00 -2.6430E+00
  5.8779E+02 -2.5860E+03 -7.3936E+02
OH             782    0.000000   -0.683000
  1.7286E+01 -1.8142E+00 -1.0151E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             783    1.008000    0.418000
  1.7267E+01 -2.5520E+00 -1.6053E+00
 -1.4656E+01  6.8132E+00 -8.6127E+00
  2.3667E+03  6.3915E+02 -8.1415E+01
HC             784    1.008000    0.040000
  1.5970E+01 -2.9673E+00  3.3108E-02
  1.0066E+01 -1.4424E+01 -8.1304E+00
  9.5510E+01  2.7995E+02 -2.1517E+02
HC             785    1.008000    0.040000
  1.6202E+01 -1.3762E+00  7.7395E-01
  3.0291E+00 -8.1668E-01  1.6982E+00
  1.1721E+03  1.5991E+03 -1.7881E+03
HC             786    1.008000    0.040000
  1.7438E+01 -2.5591E+00  9.0791E-01
  2.3495E+01  8.2096E+00 -2.4493E+01
  1.1998E+03 -4.7921E+02 -2.9056E+03
CT             787   12.011000    0.145000
 -7.8162E+00 -1.4130E+01 -1.0838E+01
 -2.2566E+00  1.1072E+00  1.4232E+00
 -3.1449E+03  2.0013E+03  3.2138E+03
OH             788    0.000000   -0.683000
 -8.1081E+00 -1.5406E+01 -1.0314E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             789    1.008000    0.418000
 -7.4972E+00 -1.5921E+01 -1.0819E+01
 -4.3239E+00 -4.7524E+00 -4.6585E-01
 -1.2114E+03 -2.1862E+03  7.5446E+02
HC             790    1.008000    0.040000
 -6.7806E+00 -1.4205E+01 -1.1170E+01
 -6.5330E+00  1.9585E+01 -1.8378E+01
 -1.5608E+03  2.4208E+03 -3.3113E+03
HC             791    1.008000    0.040000
 -7.8514E+00 -1.3388E+01 -1.0041E+01
  1.1580E+01  5.4849E+00 -1.7605E+00
  4.2257E+02  1.8490E+02  5.5493E+01
HC             792    1.008000    0.040000
 -8.5809E+00 -1.4004E+01 -1.1605E+01
  2.9015E+01 -1.2016E+01 -3.5163E+01
  4.6513E+03  1.5799E+03 -2.2280E+03
CT             793   12.011000    0.145000
 -4.5074E+00 -8.6057E+00  1.8163E+01
 -1.0848E+01 -3.9742E+00 -2.7474E+00
  4.1809E+02  1.4823E+03  3.1656E+01
OH             794    0.000000   -0.683000
 -4.8318E+00 -7.3319E+00  1.7652E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             795    1.008000    0.418000
 -4.5247E+00 -7.3624E+00  1.6759E+01
  3.2390E+00  3.2982E+01 -1.2409E+00
 -1.7218E+03  2.0594E+03  3.1799E+02
HC             796    1.008000    0.040000
 -4.7860E+00 -8.8054E+00  1.9197E+01
 -9.3650E+00 -2.4919E+00 -2.0572E+00
 -5.5995E+01  2.3219E+03  4.0097E+02
HC             797    1.008000    0.040000
 -3.4235E+00 -8.6659E+00  1.8064E+01
 -1.2037E+01 -6.9208E+00 -1.5795E+01
 -1.3880E+02 -6.0652E+02  6.3853E+02
HC             798    1.008000    0.040000
 -4.8733E+00 -9.4585E+00  1.7591E+01
 -7.4152E+00  7.7301E+00 -2.3406E+01
 -7.5388E+02  1.9882E+03 -1.5995E+03
CT             799   12.011000    0.145000
  3.8708E-01 -1.3657E+00  3.9974E+00
 -1.6855E-01  8.6530E-01  5.0200E-01
 -3.7158E+03 -2.1797E+03  1.6036E+03
OH             800    0.000000   -0.683000
 -3.6987E-01 -8.8347E-01  2.9100E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             801    1.008000    0.418000
  3.0118E-01 -8.0905E-01  2.2488E+00
  2.3304E+01 -1.2059E+01  2.0609E+01
 -1.2961E+03  1.4115E+03  7.4592E+02
HC             802    1.008000    0.040000
  7.8587E-01 -5.5990E-01  4.6137E+00
  3.5182E+00 -6.0981E+00  7.3998E+00
  3.1008E+03 -7.3983E+02 -1.5408E+03
HC             803    1.008000    0.040000
  1.0820E+00 -2.1363E+00  3.6637E+00
  7.9017E+00  9.2236E+00 -2.4208E+00
  2.9692E+03  2.8941E+03 -2.2110E+02
HC             804    1.008000    0.040000
 -1.0072E-01 -2.0052E+00  4.7331E+00
  7.3442E+00  6.3188E+00  1.0476E+01
 -3.9074E+03  2.7533E+03 -8.1431E+01
CT             805   12.011000    0.145000
 -1.3231E+01 -3.9557E+00  2.4031E+00
  2.8676E+00  1.0257E+00 -5.1253E+00
  3.2223E+03 -1.6154E+03 -2.6719E+03
OH             806    0.000000   -0.683000
 -1.2205E+01 -3.3008E+00  3.1151E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             807    1.008000    0.418000
 -1.1401E+01 -3.7774E+00  2.9799E+00
  1.2992E+01  2.5465E+01 -2.2123E+01
 -1.1369E+03  7.6517E+02  4.9132E+02
HC             808    1.008000    0.040000
 -1.2960E+01 -4.1353E+00  1.3628E+00
 -2.5249E+01  3.5531E+00 -1.3725E+01
 -7.3121E+02  1.6688E+03 -6.5419E+01
HC             809    1.008000    0.040000
 -1.4107E+01 -3.3066E+00  2.4133E+00
  7.7246E+00  7.9916E+00  1.4897E+01
 -8.5648E+02 -2.4338E+03  8.1666E+02
HC             810    1.008000    0.040000
 -1.3326E+01 -4.9536E+00  2.8311E+00
  3.6812E+00  1.1256E+01  2.0719E+01
 -3.0827E+03  1.4543E+03  1.3471E+03
CT             811   12.011000    0.145000
  2.3423E-01  4.6841E-01  7.5689E+00
  7.3850E-01  1.7651E+00  1.9389E+00
 -3.5333E+03 -4.4106E+01  3.8938E+03
OH             812    0.000000   -0.683000
  9.4869E-01 -5.5510E-01  8.2248E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             813    1.008000    0.418000
  7.6338E-01 -5.5225E-01  9.1514E+00
 -5.7394E+00 -1.2737E+01 -8.9671E-01
 -2.5719E+03 -1.2885E+03 -6.0521E+02
HC             814    1.008000    0.040000
  4.2513E-01  1.4338E+00  8.0378E+00
 -8.5174E+00 -2.7754E-01  1.0253E+01
  9.2973E+02  2.6375E+02 -1.2998E+03
HC             815    1.008000    0.040000
 -8.2419E-01  2.7514E-01  7.7435E+00
 -1.1118E+00 -9.4627E+00 -1.8561E+01
  6.7518E+01  2.2815E+00 -3.4264E+02
HC             816    1.008000    0.040000
  3.4489E-01  4.6690E-01  6.4846E+00
  1.6290E+01 -8.4294E+00  3.2198E+00
  1.3214E+03  5.4015E+02  7.4538E+02
CT             817   12.011000    0.145000
  1.2399E+01  3.7960E+00  1.9493E+01
 -1.6854E+00  2.7705E+00  1.1948E+00
 -5.6210E+03  3.1920E+03  2.2542E+03
OH             818    0.000000   -0.683000
  1.2062E+01  4.1562E+00  1.8172E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             819    1.008000    0.418000
  1.2454E+01  4.9955E+00  1.7985E+01
 -1.5763E+01  1.2143E+01  1.7645E+01
 -8.2837E+02  6.0365E+02  3.2406E+03
HC             820    1.008000    0.040000
  1.3438E+01  3.8679E+00  1.9816E+01
  2.0341E+00 -7.1296E+00 -7.9771E+00
  2.5283E+02  5.7744E+02 -2.5689E+03
HC             821    1.008000    0.040000
  1.2050E+01  2.8452E+00  1.9896E+01
  2.6046E+01 -1.7571E+01 -1.8860E+01
  6.1962E+02 -9.7016E+02 -4.4034E+03
HC             822    1.008000    0.040000
  1.1842E+01  4.4790E+00  2.0134E+01
  4.7976E+00  1.0830E+01 -1.5737E+00
  1.0793E+03  2.1067E+03 -4.5374E+02
CT             823   12.011000    0.145000
 -1.2066E+01 -7.2856E+00 -1.9671E+01
  1.3634E-01 -1.2830E+00  1.4864E+00
 -1.8827E+03 -1.3320E+03 -2.4777E+03
OH             824    0.000000   -0.683000
 -1.0918E+01 -7.8481E+00 -2.0265E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             825    1.008000    0.418000
 -1.1171E+01 -8.1972E+00  1.9794E+01
 -3.0639E+01 -2.1745E+01  1.6268E+01
 -1.8695E+03 -6.2434E+02  2.3363E+03
HC             826    1.008000    0.040000
 -1.2785E+01 -7.0705E+00  2.0438E+01
  1.1389E+01  1.2116E+01 -5.5570E+00
  1.1791E+03  2.2577E+03 -5.5650E+02
HC             827    1.008000    0.040000
 -1.1880E+01 -6.3674E+00 -1.9114E+01
 -1.1922E+01  7.0228E+00 -7.6363E+00
  2.7932E+02 -6.6163E+01 -9.5665E+02
HC             828    1.008000    0.040000
 -1.2693E+01 -7.8938E+00 -1.9019E+01
  2.0118E+00  3.7449E+00  8.0836E+00
  2.8914E+03 -2.1269E+03  6.9567E+02
CT             829   12.011000    0.145000
 -1.0269E+01  1.8916E+01 -1.0733E+01
  1.2822E+00  3.8694E+00 -8.7711E+00
  7.4616E+02  2.0837E+03  1.7154E+03
OH             830    0.000000   -0.683000
 -8.8727E+00  1.8824E+01 -1.0559E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             831    1.008000    0.418000
 -8.4755E+00  1.8800E+01 -1.1416E+01
 -6.6778E+00 -2.1798E+01 -3.1004E+00
 -1.2090E+03 -1.1958E+03 -5.7541E+01
HC             832    1.008000    0.040000
 -1.0484E+01  1.9944E+01 -1.1025E+01
 -5.6028E+00  3.9149E+00 -3.7957E+00
 -1.5606E+03 -1.3241E+03 -3.4686E+03
HC             833    1.008000    0.040000
 -1.0749E+01  1.8835E+01 -9.7578E+00
  8.9477E+00 -9.0969E-01 -5.2942E+00
 -2.3542E+02 -1.9700E+03 -2.6063E+02
HC             834    1.008000    0.040000
 -1.0612E+01  1.8123E+01 -1.1397E+01
 -2.5065E+01  1.7140E+01 -1.2350E+01
 -4.4437E+02  2.2010E+03 -9.2174E+02
CT             835   12.011000    0.145000
  1.7630E+01  7.6551E+00 -2.1871E+00
 -2.2626E-01 -8.7515E-01  1.1023E+00
  5.3541E+03  1.8900E+03 -2.1682E+03
OH             836    0.000000   -0.683000
  1.7602E+01  8.7629E+00 -1.3153E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             837    1.008000    0.418000
  1.6866E+01  9.2570E+00 -1.6421E+00
 -1.6577E+01 -1.5893E+01  1.1310E+01
  1.3195E+03  1.1358E+03  1.1251E+03
HC             838    1.008000    0.040000
  1.7842E+01  7.9605E+00 -3.2117E+00
  2.3978E+01 -1.1749E+01  2.1804E+00
 -1.2944E+03  1.3326E+03  7.2198E+02
HC             839    1.008000    0.040000
  1.6807E+01  6.9432E+00 -2.2507E+00
  2.5694E+00 -4.4668E+00  4.6074E+00
 -1.1902E+03  1.8969E+03  2.5844E+03
HC             840    1.008000    0.040000
  1.8549E+01  7.0812E+00 -2.0648E+00
  4.5502E+00  5.4008E+00 -4.5574E+00
 -2.9251E+02 -1.9845E+02  2.2043E+03
CT             841   12.011000    0.145000
  1.4646E+01 -2.0175E+01  1.9270E+01
 -3.3094E+00  9.8650E+00 -4.1512E+00
  2.2497E+03 -4.8720E+03  8.7389E+02
OH             842    0.000000   -0.683000
  1.4896E+01  2.0248E+01  1.7967E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             843    1.008000    0.418000
  1.5652E+01  1.9685E+01  1.8031E+01
  2.6278E+01  3.1083E+01 -9.4383E+00
 -1.9012E+03  7.2853E+02 -2.9221E+02
HC             844    1.008000    0.040000
  1.3949E+01 -1.9352E+01  1.9110E+01
 -1.5914E+01 -6.1915E-01 -4.9292E+00
  3.7556E+02  1.4886E+02  4.3387E+03
HC             845    1.008000    0.040000
  1.5591E+01 -2.0040E+01  1.9795E+01
 -1.3975E+01  3.3071E+00  1.7958E+01
 -9.6052E+02  4.5881E+03 -7.8241E+02
HC             846    1.008000    0.040000
  1.4330E+01  1.9892E+01  1.9899E+01
  1.9699E+01  6.0040E+00  3.2439E+00
 -3.1813E+03  1.2084E+03 -1.0729E+03
CT             847   12.011000    0.145000
  1.1572E+01 -2.0239E+01 -1.9991E+01
  1.0614E-01  1.1144E+00  5.1531E+00
  5.5975E+01 -1.0708E+03  1.5687E+03
OH             848    0.000000   -0.683000
  1.0186E+01  2.0414E+01 -1.9914E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             849    1.008000    0.418000
  1.0044E+01  2.0448E+01 -1.8981E+01
  6.9397E+00 -5.1639E+00  1.3244E+00
 -6.0143E+02 -1.8647E+03 -9.0999E+01
HC             850    1.008000    0.040000
  1.2123E+01  1.9863E+01 -1.9492E+01
 -2.5500E+00 -9.0040E+00 -7.5579E+00
  1.5764E+02 -5.6017E+02 -1.1770E+03
HC             851    1.008000    0.040000
  1.1765E+01 -1.9371E+01 -1.9360E+01
 -7.2057E+00 -1.5163E-01  9.2477E+00
  1.0570E+03  1.5064E+03 -2.6715E+03
HC             852    1.008000    0.040000
  1.1850E+01 -2.0213E+01  1.9856E+01
 -1.5069E+01 -1.7987E+01  9.0331E-02
  2.7428E+02  1.0719E+03  9.4459E+02
CT             853   12.011000    0.145000
 -1.1258E+01  1.5556E+01 -1.5964E+01
 -6.7716E+00  1.8070E+00  2.6969E+00
 -2.1115E+03  2.3237E+03  5.1128E+02
OH             854    0.000000   -0.683000
 -1.1748E+01  1.5660E+01 -1.7282E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             855    1.008000    0.418000
 -1.1414E+01  1.6507E+01 -1.7536E+01
 -4.6402E+00  4.3295E+00  7.9488E+00
 -8.8311E+02 -4.5719E+02 -2.0189E+03
HC             856    1.008000    0.040000
 -1.1315E+01  1.4510E+01 -1.5662E+01
  3.3014E+00 -2.5277E+00 -9.5415E+00
 -1.6373E+03  6.4807E+02  1.7794E+02
HC             857    1.008000    0.040000
 -1.1837E+01  1.6280E+01 -1.5389E+01
 -1.1380E+01  1.7951E+01 -2.0812E+01
 -1.2526E+03 -2.3121E+03  3.3250E+02
HC             858    1.008000    0.040000
 -1.0237E+01  1.5822E+01 -1.5692E+01
  1.5280E+00 -2.8926E+01  5.3495E+00
  2.6755E+02 -7.6054E+02 -4.3112E+03
CT             859   12.011000    0.145000
 -4.0877E+00  5.5346E+00  4.5103E+00
  5.7239E+00 -7.2454E+00  3.3595E+00
 -2.9674E+03  4.4417E+02 -2.2678E+03
OH             860    0.000000   -0.683000
 -3.5523E+00  5.3709E+00  3.2162E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             861    1.008000    0.418000
 -3.5391E+00  6.2113E+00  2.7843E+00
  2.3346E+01 -7.3208E+00 -1.5471E+01
  1.1968E+03 -4.6039E+02  9.5531E+02
HC             862    1.008000    0.040000
 -5.0286E+00  6.0664E+00  4.3686E+00
  1.4926E+01  6.2007E+00 -1.0504E+01
  2.6862E+02  2.1519E+02  2.8872E+02
HC             863    1.008000    0.040000
 -3.4581E+00  6.2538E+00  5.0342E+00
 -5.6573E+00  7.7581E+00 -2.8081E+00
  3.9723E+01 -3.8368E+03  3.2888E+03
HC             864    1.008000    0.040000
 -4.3557E+00  4.5894E+00  4.9823E+00
 -1.2194E+01  3.1484E+00  1.5208E+01
  3.2182E+03  5.1732E+02  1.1115E+03
CT             865   12.011000    0.145000
 -2.8750E+00  1.6981E+01 -1.8137E+01
 -2.9980E+00 -7.5343E-01  1.1464E+00
 -3.4319E+03 -5.1835E+03 -3.3725E+03
OH             866    0.000000   -0.683000
 -2.3015E+00  1.6023E+01 -1.7276E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             867    1.008000    0.418000
 -2.8553E+00  1.6086E+01 -1.6513E+01
 -2.2074E+00  1.6595E+01 -2.5986E+00
 -1.6283E+03 -2.1950E+03 -1.5560E+03
HC             868    1.008000    0.040000
 -3.1307E+00  1.7995E+01 -1.7828E+01
  4.8037E+00  5.8451E+00 -1.3064E+01
  3.4593E+03 -3.8026E+02  1.5710E+03
HC             869    1.008000    0.040000
 -3.8477E+00  1.6608E+01 -1.8457E+01
 -3.4358E-01 -1.0785E+00 -6.7544E+00
 -3.8347E+02 -8.9296E+02  8.8616E+02
HC             870    1.008000    0.040000
 -2.3605E+00  1.6956E+01 -1.9097E+01
 -4.0167E+00 -1.4814E+00  6.1767E-01
  1.3848E+03  2.0317E+03  5.8750E+02
CT             871   12.011000    0.145000
 -2.9148E+00  1.2422E+01 -1.5445E+01
  1.5751E+00 -1.8406E+00 -1.0949E-01
  2.1143E+03 -8.0624E+02  2.5844E+02
OH             872    0.000000   -0.683000
 -3.1679E+00  1.2128E+01 -1.4090E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             873    1.008000    0.418000
 -3.2326E+00  1.1207E+01 -1.3889E+01
 -1.8306E+01 -4.3607E+00 -2.1791E+01
  2.7258E+02  5.5073E+00 -2.9550E+03
HC             874    1.008000    0.040000
 -2.0183E+00  1.1940E+01 -1.5834E+01
 -1.8937E+01 -2.4151E+01 -2.3458E+01
 -1.6424E+03 -1.1170E+03  4.1392E+02
HC             875    1.008000    0.040000
 -2.7952E+00  1.3486E+01 -1.5651E+01
 -1.7197E+01  3.2883E+00  1.2800E+01
 -2.0159E+02  3.5981E+02  3.7019E+03
HC             876    1.008000    0.040000
 -3.6865E+00  1.2316E+01 -1.6208E+01
  5.5490E+00  1.0438E+01 -6.1059E+00
 -9.1517E+02 -4.0394E+03  2.3586E+03
CT             877   12.011000    0.145000
 -3.4091E+00 -9.5774E+00 -1.4627E+01
 -9.6369E-01  9.4107E-01  1.7272E+00
 -1.4425E+03  1.3129E+03  3.3783E+02
OH             878    0.000000   -0.683000
 -4.3726E+00 -1.0607E+01 -1.4606E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             879    1.008000    0.418000
 -4.6464E+00 -1.0712E+01 -1.5504E+01
 -4.9888E+00  7.0109E+00  6.1466E-01
 -4.7541E+02 -1.1039E+03  3.8438E+02
HC             880    1.008000    0.040000
 -2.4318E+00 -9.9425E+00 -1.4942E+01
  1.8099E+00 -4.0856E+00  1.5426E+01
 -7.0168E+02  4.5863E+02 -1.1994E+03
HC             881    1.008000    0.040000
 -3.2705E+00 -9.0698E+00 -1.3672E+01
 -1.6650E+01  6.1589E-01  4.4435E+00
 -4.0502E+02 -1.7117E+03  7.9229E+02
HC             882    1.008000    0.040000
 -3.7803E+00 -8.7751E+00 -1.5264E+01
  8.8689E+00  1.9499E+00 -2.9147E+00
  1.2394E+03 -2.7787E+02 -1.1690E+03
CT             883   12.011000    0.145000
 -1.7836E+01 -1.3240E+00  1.7109E+01
 -2.9920E+00  1.8902E+00  1.4815E+00
 -3.9023E+02 -2.2084E+02  7.7032E+02
OH             884    0.000000   -0.683000
 -1.8706E+01 -2.3129E+00  1.6605E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             885    1.008000    0.418000
 -1.9546E+01 -1.8802E+00  1.6608E+01
  1.7049E-01  1.2323E+00  2.1449E+01
  9.0073E+02  8.3696E+02  8.5476E+02
HC             886    1.008000    0.040000
 -1.8367E+01 -1.0056E+00  1.8006E+01
 -3.2369E+00  1.1938E+01 -2.1018E+00
  3.3374E+03  4.9536E+02  1.7072E+03
HC             887    1.008000    0.040000
 -1.7716E+01 -4.2128E-01  1.6510E+01
  6.3527E-01  9.3771E+00  1.3150E+01
  1.4770E+02 -9.3847E+02 -8.2374E+02
HC             888    1.008000    0.040000
 -1.6865E+01 -1.8121E+00  1.7194E+01
  1.0980E+01  2.5281E+01 -1.2757E+01
  1.5405E+02  2.5208E+03  2.3923E+03
CT             889   12.011000    0.145000
  8.3586E+00 -1.1447E+01  4.4763E+00
 -3.5153E+00 -2.1590E+00 -3.4042E+00
 -1.9039E+03 -2.8374E+03  4.3456E+03
OH             890    0.000000   -0.683000
  7.4280E+00 -1.0441E+01  4.8076E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             891    1.008000    0.418000
  7.3235E+00 -9.7719E+00  4.1480E+00
 -1.3862E+01  2.3967E+00  4.2978E+00
 -4.6655E+02 -3.6775E+03 -3.1560E+03
HC             892    1.008000    0.040000
  7.8739E+00 -1.2402E+01  4.2766E+00
  2.1011E+01 -1.7591E+01  6.2447E+00
  1.0991E+03  1.1060E+03 -3.6490E+03
HC             893    1.008000    0.040000
  8.7832E+00 -1.1770E+01  5.4268E+00
 -7.9251E+00  9.7535E-01 -3.2912E-01
  4.3160E+02  1.4078E+03  6.2625E+02
HC             894    1.008000    0.040000
  9.2265E+00 -1.1163E+01  3.8810E+00
 -5.3444E-01  2.5163E+01  1.2293E+01
 -2.4284E+03  5.9878E+02 -8.0765E+02
CT             895   12.011000    0.145000
  1.7633E+01 -6.0794E+00  8.3830E+00
 -2.5708E+00 -3.8000E+00 -4.3968E+00
 -7.4024E+02 -2.1175E+03 -1.8507E+03
OH             896    0.000000   -0.683000
  1.7408E+01 -7.0599E+00  9.3711E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             897    1.008000    0.418000
  1.6750E+01 -7.6726E+00  9.0810E+00
  2.2810E+01 -2.2019E+01 -8.9950E+00
  2.5727E+03 -8.4211E+02 -1.4676E+03
HC             898    1.008000    0.040000
  1.6726E+01 -5.7331E+00  7.8868E+00
  8.0134E+00  2.6227E+01 -4.8196E+00
  7.3478E+02  9.4147E+02  9.0595E+02
HC             899    1.008000    0.040000
  1.8275E+01 -6.6217E+00  7.6892E+00
  1.0175E+01 -3.1668E+00  6.5009E+00
  8.6716E+02  2.5623E+03 -1.0252E+03
HC             900    1.008000    0.040000
  1.8117E+01 -5.2426E+00  8.8864E+00
 -9.7752E+00 -7.2383E+00  8.7158E+00
  2.8429E+02  2.5116E+02 -1.8998E+03
CT             901   12.011000    0.145000
 -1.3939E+01  4.7177E+00  3.1944E+00
 -2.2305E+00 -9.2805E-01  7.2327E+00
 -1.7378E+03 -7.0031E+02  1.7731E+03
OH             902    0.000000   -0.683000
 -1.3925E+01  3.3197E+00  3.0113E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             903    1.008000    0.418000
 -1.4707E+01  2.9631E+00  3.4053E+00
  2.2759E+00 -2.2583E+01 -1.4112E+01
  1.5774E+02  1.0326E+03 -7.1841E+02
HC             904    1.008000    0.040000
 -1.4343E+01  5.0455E+00  4.1523E+00
 -4.2784E+00  1.2542E+01  1.9821E+00
 -3.8215E+02 -5.4321E+02 -3.1319E+01
HC             905    1.008000    0.040000
 -1.4624E+01  5.0856E+00  2.4305E+00
 -4.4508E-01  2.7316E+01  1.8035E+01
  1.9210E+03  3.6871E+03  7.5152E+02
HC             906    1.008000    0.040000
 -1.2914E+01  5.0855E+00  3.1514E+00
 -5.5396E-01 -6.1965E+00  3.0940E-01
 -8.9136E+02  1.5666E+03 -1.9897E+03
CT             907   12.011000    0.145000
  1.1853E+01 -2.0226E+01  1.5378E+01
  2.0043E+00  2.6472E-01 -1.1203E-01
  8.2004E+01 -2.7998E+02 -6.4314E+02
OH             908    0.000000   -0.683000
  1.1652E+01 -1.8986E+01  1.4737E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             909    1.008000    0.418000
  1.1205E+01 -1.8449E+01  1.5374E+01
 -3.8696E+00 -9.9802E+00  5.9358E+00
  1.8871E+03  8.9171E+02  2.2611E+02
HC             910    1.008000    0.040000
  1.2503E+01  2.0048E+01  1.4767E+01
  1.4116E+00 -2.4782E+01  2.3019E+01
 -8.0693E+02 -1.3960E+03  1.9013E+03
HC             911    1.008000    0.040000
  1.0805E+01  2.0376E+01  1.5395E+01
  2.3868E-01  6.5646E+00  9.0993E+00
  1.0963E+03 -3.1890E+03  2.4998E+03
HC             912    1.008000    0.040000
  1.2245E+01 -2.0021E+01  1.6375E+01
 -5.5083E+00  1.3309E+01  3.8630E-01
  1.7045E+02 -1.4897E+03 -1.3276E+02
CT             913   12.011000    0.145000
  1.3443E+00 -1.1634E+01  3.0253E+00
 -2.1314E+00 -3.6854E+00  8.1743E-01
  3.7843E+03  3.7484E+02  3.7529E+02
OH             914    0.000000   -0.683000
  1.2434E+00 -1.1269E+01  4.3835E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             915    1.008000    0.418000
  1.8104E+00 -1.1807E+01  4.9147E+00
 -1.5241E+01 -9.3263E+00  7.5336E+00
  1.4516E+03 -6.8275E+02 -3.3117E+03
HC             916    1.008000    0.040000
  1.2162E+00 -1.2707E+01  2.8880E+00
  1.9655E+01 -5.2666E+00 -1.1775E+01
 -2.9921E+03  1.4621E+03 -1.6127E+03
HC             917    1.008000    0.040000
  2.3676E+00 -1.1476E+01  2.6846E+00
 -3.2962E+00 -4.8170E+00 -3.2638E+00
 -2.1792E+01  8.6547E+02 -5.5896E+02
HC             918    1.008000    0.040000
  7.0635E-01 -1.0855E+01  2.6078E+00
  1.0900E+01  1.3587E+01  1.1729E+01
 -4.3120E+02 -3.8379E+03 -3.4040E+03
CT             919   12.011000    0.145000
  1.3630E+00 -7.9955E+00  8.7213E-01
  9.9439E-01  8.3712E-01 -4.7831E+00
  2.8985E+03 -1.4598E+02 -2.9988E+03
OH             920    0.000000   -0.683000
  1.8486E+00 -6.7137E+00  1.2026E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             921    1.008000    0.418000
  2.2303E+00 -6.6975E+00  2.0669E+00
  2.5658E-01 -3.1589E+00 -4.2111E-02
  4.3430E+02 -4.7066E+03 -9.7274E+01
HC             922    1.008000    0.040000
  7.1295E-01 -8.0085E+00 -2.7284E-03
  1.4930E-01 -1.2682E+00 -4.1303E+00
 -1.8513E+03  1.2614E+03  1.3108E+03
HC             923    1.008000    0.040000
  8.7450E-01 -8.4450E+00  1.7367E+00
 -6.1777E+00  2.9616E+00 -7.6566E+00
  2.5480E+02 -1.2838E+03 -9.8906E+02
HC             924    1.008000    0.040000
  2.1999E+00 -8.5642E+00  4.6681E-01
 -8.8680E+00 -1.6683E+01 -1.5875E+00
  1.6985E+02 -2.1150E+03  3.1781E+03
CT             925   12.011000    0.145000
  6.0159E+00  1.4425E+01  1.6138E+00
  1.8570E+00 -4.9459E+00  4.4396E+00
 -1.1608E+03  4.2823E+03 -2.9296E+03
OH             926    0.000000   -0.683000
  5.3995E+00  1.5142E+01  2.6597E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             927    1.008000    0.418000
  4.5665E+00  1.4725E+01  2.8184E+00
  7.9797E+00 -2.1186E+01 -9.9352E+00
  9.6829E+02 -4.0486E+02  4.2489E+02
HC             928    1.008000    0.040000
  6.4559E+00  1.3438E+01  1.7583E+00
  1.5655E+01 -2.6074E+00 -1.7061E+01
  6.6206E+02  1.5784E+03  8.4801E+02
HC             929    1.008000    0.040000
  6.7646E+00  1.5152E+01  1.3005E+00
 -1.5323E+00  3.6653E-01  8.4972E+00
  1.8336E+03 -2.2256E+03 -1.0807E+03
HC             930    1.008000    0.040000
  5.2922E+00  1.4343E+01  8.0277E-01
 -2.6957E+00 -4.2700E+00  8.3887E+00
  9.7930E+01 -4.3959E+02 -2.8452E+02
CT             931   12.011000    0.145000
  1.6106E+00  1.2529E+01 -1.2096E+01
 -7.9836E+00 -1.4726E+00 -9.2814E-01
 -3.7262E+03 -2.5435E+03 -3.3052E+03
OH             932    0.000000   -0.683000
  1.7861E+00  1.1256E+01 -1.1515E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             933    1.008000    0.418000
  2.6632E+00  1.1048E+01 -1.1798E+01
  4.2416E+00 -1.5671E+01  2.1995E+01
 -1.1764E+03 -6.4901E+03  2.1023E+03
HC             934    1.008000    0.040000
  1.4457E+00  1.2290E+01 -1.3147E+01
  1.0511E+01  1.7680E+01 -8.9102E+00
 -2.5491E+03  2.7350E+03  1.2707E+02
HC             935    1.008000    0.040000
  2.4964E+00  1.3139E+01 -1.2271E+01
 -7.8314E+00 -3.4734E+00 -7.4223E+00
 -2.8753E+02  5.3725E+02  3.5125E+03
HC             936    1.008000    0.040000
  7.7904E-01  1.3032E+01 -1.1603E+01
  8.9185E+00  1.1737E+01  1.5575E+01
  1.0899E+03  1.7884E+03 -1.1973E+03
CT             937   12.011000    0.145000
 -2.3331E-01  1.4820E+01 -1.5154E+01
  9.7198E-01 -5.5320E+00 -1.9904E+00
  1.8534E+02 -4.3713E+03 -4.2306E+03
OH             938    0.000000   -0.683000
  1.0616E+00  1.5201E+01 -1.5562E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             939    1.008000    0.418000
  9.8944E-01  1.5885E+01 -1.6209E+01
 -7.3675E+00  2.2880E+01  2.3279E+01
 -3.4495E+03 -2.2223E+02  1.5835E+03
HC             940    1.008000    0.040000
 -8.9933E-01  1.5654E+01 -1.4932E+01
  1.7359E+00 -4.8368E+00 -2.3050E+00
  7.1405E+02  4.7472E+01  1.8284E+02
HC             941    1.008000    0.040000
 -2.9646E-01  1.4071E+01 -1.4365E+01
 -1.4096E+00  7.4101E+00  1.0526E+01
  1.8815E+03  2.1124E+03  1.9772E+03
HC             942    1.008000    0.040000
 -5.9362E-01  1.4206E+01 -1.5979E+01
  3.3866E+01 -1.1023E+01 -1.3782E+01
  2.9385E+02  2.8333E+03 -1.3180E+03
CT             943   12.011000    0.145000
 -1.5033E+01  1.2611E+00  1.2400E+01
 -1.2903E+00  4.9517E+00  2.1978E+00
 -1.7753E+03  4.2344E+03  1.7844E+03
OH             944    0.000000   -0.683000
 -1.5627E+01  6.1128E-01  1.3502E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             945    1.008000    0.418000
 -1.6234E+01 -3.8331E-02  1.3182E+01
 -1.7606E+00 -5.3170E+00  1.3470E+01
 -8.7197E+02  9.5108E+01  1.8360E+03
HC             946    1.008000    0.040000
 -1.4453E+01  7.1588E-01  1.1656E+01
 -7.7524E+00 -1.2041E+01  9.0998E+00
  6.8567E+02 -2.6126E+03  3.1818E+03
HC             947    1.008000    0.040000
 -1.4413E+01  1.9504E+00  1.2973E+01
  1.1719E+01 -5.3947E+00  1.0474E+00
  1.5191E+03  1.5116E+03 -3.4975E+03
HC             948    1.008000    0.040000
 -1.5763E+01  1.8127E+00  1.1807E+01
  1.1772E+01  2.3535E+01  2.5438E+00
 -6.7020E+01  9.0537E+02  1.3644E+03
CT             949   12.011000    0.145000
  1.7707E+01 -3.5264E+00  1.6948E+01
 -3.5025E+00  4.0413E+00  9.8432E+00
  3.7027E+03 -1.2924E+03 -5.8989E+03
OH             950    0.000000   -0.683000
  1.7872E+01 -2.2155E+00  1.6456E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             951    1.008000    0.418000
  1.7231E+01 -2.1650E+00  1.5763E+01
 -6.8765E+00 -1.6226E+01  4.7040E+00
  2.5346E+03  3.2488E+03 -1.1373E+03
HC             952    1.008000    0.040000
  1.6892E+01 -3.8388E+00  1.7601E+01
 -5.1635E+00 -6.7692E+00  2.8583E+00
  1.5593E+02  3.3179E+03  3.8966E+02
HC             953    1.008000    0.040000
  1.8687E+01 -3.7845E+00  1.7349E+01
  9.5850E-02 -7.7982E+00 -5.5822E+00
 -1.0832E+03 -1.8457E+03  7.4198E+02
HC             954    1.008000    0.040000
  1.7587E+01 -4.1074E+00  1.6033E+01
  6.0281E+00  2.8932E+01 -8.3547E+00
  7.9155E+02 -2.2779E+01  5.9636E+02
CT             955   12.011000    0.145000
 -1.9902E+01 -1.6692E+01 -1.2620E+01
 -1.9672E+00 -3.0503E+00 -4.5657E+00
  5.9974E+02  7.9883E+01 -2.3052E+02
OH             956    0.000000   -0.683000
 -1.8971E+01 -1.7712E+01 -1.2332E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             957    1.008000    0.418000
 -1.9501E+01 -1.8347E+01 -1.1875E+01
  1.7666E+01 -6.1886E+00  1.2982E+01
  3.5603E+03 -3.8481E+03 -1.9791E+03
HC             958    1.008000    0.040000
 -1.9378E+01 -1.5736E+01 -1.2617E+01
  1.6401E+00 -4.9372E+00  5.5690E+00
 -8.0676E+02  3.2627E+02 -2.0769E+02
HC             959    1.008000    0.040000
  2.0204E+01 -1.6686E+01 -1.1874E+01
  5.2684E+00 -5.7665E+00  3.3174E+00
  1.0008E+03  8.8025E+02  8.7653E+02
HC             960    1.008000    0.040000
 -2.0439E+01 -1.6819E+01 -1.3560E+01
 -1.7018E+01  8.1179E+00  2.1101E+00
  2.5047E+02  2.1403E+02  2.5811E+02
CT             961   12.011000    0.145000
 -1.6984E+01 -3.8183E+00  1.0684E+00
 -9.5215E-01 -1.8698E+00 -3.7582E+00
  1.8490E+03  8.8358E+02  3.0272E+03
OH             962    0.000000   -0.683000
 -1.6188E+01 -2.8667E+00  3.9828E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             963    1.008000    0.418000
 -1.6592E+01 -2.0385E+00  6.0594E-01
 -1.3604E+01 -5.1176E+00 -4.9718E+00
 -6.4868E+02 -2.1832E+01 -2.0020E+03
HC             964    1.008000    0.040000
 -1.6514E+01 -4.8010E+00  1.0261E+00
 -1.4423E+01 -1.1042E+01  2.8644E+01
 -3.1006E+03 -2.6510E+02  4.1929E+01
HC             965    1.008000    0.040000
 -1.8028E+01 -3.7059E+00  7.7938E-01
 -2.9847E+00  6.2144E+00  6.1533E+00
  2.9532E+02 -2.3231E+03 -2.2156E+02
HC             966    1.008000    0.040000
 -1.6854E+01 -3.4449E+00  2.0843E+00
  6.3512E+00 -2.9258E+00 -4.2473E+00
 -1.6341E+03 -2.2685E+03  1.2266E+03
CT             967   12.011000    0.145000
 -1.4971E+01  7.6328E+00 -1.1482E+01
  2.0943E+00  6.0505E+00  6.0630E+00
  2.1232E+03  4.4188E+03  1.3156E+03
OH             968    0.000000   -0.683000
 -1.3638E+01  7.1736E+00 -1.1497E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             969    1.008000    0.418000
 -1.3167E+01  7.6127E+00 -1.2189E+01
 -1.8309E+01  1.2085E+01 -5.5265E+00
 -1.3433E+03 -1.0588E+03 -9.2732E+02
HC             970    1.008000    0.040000
 -1.5545E+01  7.1720E+00 -1.0678E+01
 -2.1236E+00 -1.7116E+01 -9.2439E+00
  1.4912E+02 -1.4352E+03 -1.6099E+03
HC             971    1.008000    0.040000
 -1.5559E+01  7.5413E+00 -1.2395E+01
 -2.6592E+01  8.0246E+00  2.3101E+01
  7.7043E+02 -1.6003E+03  1.1827E+03
HC             972    1.008000    0.040000
 -1.5083E+01  8.7006E+00 -1.1294E+01
 -3.2845E+01  6.0116E+00 -7.1486E+00
  1.2645E+03 -7.9533E+02 -7.0868E+02
CT             973   12.011000    0.145000
  3.3501E+00  1.6740E+01  1.3335E+01
  1.2159E+00  4.8649E+00  3.0072E-01
 -1.0073E+02  7.4561E+02 -7.9910E+01
OH             974    0.000000   -0.683000
  2.0847E+00  1.7017E+01  1.3892E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             975    1.008000    0.418000
  2.1477E+00  1.7118E+01  1.4829E+01
 -2.9746E+01 -7.2951E+00  3.7988E+00
  1.6727E+03 -1.5887E+02 -1.3588E+03
HC             976    1.008000    0.040000
  3.8474E+00  1.6084E+01  1.4049E+01
  1.0324E+01  1.0132E+00 -9.3156E+00
  1.5021E+03 -1.0100E+03 -2.1209E+03
HC             977    1.008000    0.040000
  3.9087E+00  1.7661E+01  1.3168E+01
 -4.9941E-01  6.4390E+00  3.1658E+00
  8.7218E+02 -3.0280E+02  1.0107E+03
HC             978    1.008000    0.040000
  3.1409E+00  1.6251E+01  1.2384E+01
  7.7584E+00 -1.4857E+01  8.4900E+00
  2.3685E+03 -1.7540E+03  7.1328E+02
CT             979   12.011000    0.145000
 -1.8303E+01 -3.9793E+00 -1.5601E+01
 -7.9205E-01 -6.8064E-01 -5.7518E+00
 -2.8007E+03  3.0946E+02 -2.6557E+03
OH             980    0.000000   -0.683000
 -1.8097E+01 -2.5970E+00 -1.5787E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             981    1.008000    0.418000
 -1.8042E+01 -2.4274E+00 -1.6715E+01
  2.3034E+01 -9.2562E+00 -1.0046E+00
 -1.6195E+03  1.7573E+02  7.8569E+02
HC             982    1.008000    0.040000
 -1.9287E+01 -4.2071E+00 -1.6011E+01
 -4.0939E+00 -1.8067E+01  1.0437E+01
  1.0614E+02 -1.1375E+03  6.9879E+02
HC             983    1.008000    0.040000
 -1.8292E+01 -4.2402E+00 -1.4543E+01
  2.6341E+01 -3.3081E+00 -5.9782E+00
  1.3144E+03 -3.6034E+02 -8.8425E+02
HC             984    1.008000    0.040000
 -1.7584E+01 -4.5833E+00 -1.6154E+01
  6.1177E+00 -4.2174E+00  6.7062E+00
  8.4982E+02 -2.0656E+02  1.6245E+03
CT             985   12.011000    0.145000
  1.6515E+01  1.2692E+01  9.1471E+00
 -1.7578E+00 -2.9335E+00 -4.1371E+00
 -1.0876E+03  4.5056E+02  1.1193E+03
OH             986    0.000000   -0.683000
  1.6541E+01  1.1540E+01  9.9599E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             987    1.008000    0.418000
  1.6428E+01  1.1994E+01  1.0781E+01
  1.3615E+01  1.5860E+01 -6.3340E+00
  1.3375E+03 -4.4874E+03  1.7099E+03
HC             988    1.008000    0.040000
  1.7272E+01  1.3381E+01  9.5209E+00
 -7.1324E+00  1.7391E+00 -1.7171E+00
 -1.2373E+03  1.0788E+03  4.5673E+02
HC             989    1.008000    0.040000
  1.5554E+01  1.3199E+01  9.2250E+00
  1.5115E+01  3.0361E+01  6.4265E+00
  1.5873E+03  4.9357E+02  9.9409E+02
HC             990    1.008000    0.040000
  1.6731E+01  1.2643E+01  8.0799E+00
  1.3238E+01 -1.5507E+01 -8.9863E-01
  5.2608E+02 -2.7362E+03  5.6064E+02
CT             991   12.011000    0.145000
  1.7583E+01  2.2013E+00  2.6488E+00
 -9.5216E-04 -7.6754E+00  5.9792E-01
  1.1612E+04 -1.1524E+03 -3.5821E+02
OH             992    0.000000   -0.683000
  1.7698E+01  2.3181E+00  4.0492E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             993    1.008000    0.418000
  1.8572E+01  2.4614E+00  4.3788E+00
 -8.5996E-01 -1.3524E+00  2.9020E+00
  1.8847E+03 -2.7072E+02 -5.3067E+03
HC             994    1.008000    0.040000
  1.8319E+01  2.9228E+00  2.2946E+00
 -4.0714E+00  1.8969E+01  3.9987E+01
 -2.7626E+03  1.1228E+03  4.8775E+02
HC             995    1.008000    0.040000
  1.6698E+01  2.2573E+00  2.0142E+00
  1.6399E+01  5.1764E+00 -2.2660E+01
 -4.9949E+02  1.0076E+03  4.4661E+03
HC             996    1.008000    0.040000
  1.8040E+01  1.2783E+00  2.2915E+00
  7.2495E+00 -2.8454E+00 -2.8564E+00
 -3.1020E+02 -1.2734E+03  1.8951E+03
CT             997   12.011000    0.145000
 -1.0531E+01 -1.2293E+01  2.0160E+01
 -1.7968E+00 -4.0546E+00  1.7446E+00
  2.6888E+03 -1.5544E+03  2.5714E+03
OH             998    0.000000   -0.683000
 -1.1068E+01 -1.1580E+01 -1.9649E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO             999    1.008000    0.418000
 -1.1750E+01 -1.1086E+01 -2.0079E+01
 -2.7792E+01 -3.4269E+01  1.9889E-01
  7.3004E+02 -2.2112E+02  3.3148E+03
HC            1000    1.008000    0.040000
 -1.1074E+01 -1.3228E+01  2.0021E+01
 -1.4956E+01  2.8726E+00  4.9528E+00
 -2.1461E+03  1.6693E+03 -1.8179E+03
HC            1001    1.008000    0.040000
 -9.5352E+00 -1.2712E+01  2.0306E+01
 -4.1185E+00 -9.3678E+00  2.5506E+00
  5.4394E+02  1.7270E+03  2.7842E+03
HC            1002    1.008000    0.040000
 -1.0449E+01 -1.1650E+01  1.9284E+01
 -2.7743E+01  2.1408E+01  1.6269E+01
 -2.2989E+03 -6.5406E+02  1.0798E+03
CT            1003   12.011000    0.145000
 -7.9464E+00 -9.2288E+00  1.9532E+01
 -1.6012E+00  2.0437E+00  8.0537E+00
  3.7191E+03 -2.4132E+02 -4.1472E+03
OH            1004    0.000000   -0.683000
 -7.2779E+00 -1.0397E+01  1.9952E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1005    1.008000    0.418000
 -7.7915E+00 -1.0519E+01 -2.0164E+01
  3.1639E+01 -9.7555E+00  2.1186E+01
  4.1258E+03 -3.1426E+03  1.0968E+03
HC            1006    1.008000    0.040000
 -7.4932E+00 -8.7447E+00  1.8666E+01
  5.2123E+00  4.0153E+00  1.2644E+01
  1.6588E+03 -9.3803E+02 -1.0596E+02
HC            1007    1.008000    0.040000
 -7.9524E+00 -8.4850E+00  2.0328E+01
 -1.2445E+01 -1.0290E+01  2.0002E+01
 -1.5307E+03 -5.1514E+02 -2.9676E+02
HC            1008    1.008000    0.040000
 -8.9415E+00 -9.5327E+00  1.9207E+01
 -4.0993E+00 -3.0032E+00  1.9895E+01
 -8.9996E+02  1.5774E+03  2.1619E+03
CT            1009   12.011000    0.145000
 -3.7688E+00  1.5349E+01 -1.3370E+00
 -3.6021E+00  2.5442E+00 -6.9085E-01
 -2.2077E+03 -1.2569E+03 -3.3473E+03
OH            1010    0.000000   -0.683000
 -3.0178E+00  1.6169E+01 -2.2041E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1011    1.008000    0.418000
 -2.2075E+00  1.6301E+01 -1.7361E+00
 -1.2910E+00 -1.1724E+01  5.9218E+00
 -2.9505E+02  2.2003E+03 -7.6581E+02
HC            1012    1.008000    0.040000
 -4.6344E+00  1.5023E+01 -1.9133E+00
 -3.3683E+00  6.3915E+00 -3.2576E+00
 -1.1316E+02 -1.3374E+02 -3.3604E+02
HC            1013    1.008000    0.040000
 -4.2195E+00  1.5705E+01 -4.1064E-01
 -4.6739E+00  2.2261E+00 -1.0884E+00
  1.7395E+03  4.4323E+03 -1.1584E+03
HC            1014    1.008000    0.040000
 -3.3072E+00  1.4429E+01 -9.7892E-01
 -2.5844E+00  3.2386E+00 -2.1302E-01
  2.5742E+03  4.2889E+02 -2.5172E+03
CT            1015   12.011000    0.145000
  7.4875E+00 -1.3034E+01  9.3210E+00
 -9.4265E-01 -5.3691E+00 -3.1418E+00
  2.3806E+03 -1.9136E+02  2.9032E+03
OH            1016    0.000000   -0.683000
  6.5166E+00 -1.3412E+01  1.0271E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1017    1.008000    0.418000
  6.8437E+00 -1.4125E+01  1.0798E+01
  2.3039E+01  4.6828E+00 -6.8257E+00
  2.2682E+02  5.6815E+02 -4.3806E+02
HC            1018    1.008000    0.040000
  7.9693E+00 -1.3905E+01  8.8752E+00
 -1.5578E+01 -1.0871E+01 -8.8386E+00
 -1.0641E+03  2.7377E+02 -1.2734E+03
HC            1019    1.008000    0.040000
  8.2147E+00 -1.2464E+01  9.8992E+00
 -9.5954E+00  8.7289E+00 -5.6706E+00
  6.4910E+02  4.1658E+02 -1.2038E+03
HC            1020    1.008000    0.040000
  7.0653E+00 -1.2332E+01  8.6023E+00
  4.8795E+00  8.7236E+00  6.7500E+00
  8.0243E+02 -8.8544E+02 -4.0782E+02
CT            1021   12.011000    0.145000
 -1.6113E+00 -1.7190E+01  4.4796E+00
  3.1413E+00 -1.1933E-01 -1.9131E+00
  3.4990E+02 -6.6593E+02 -5.0103E+02
OH            1022    0.000000   -0.683000
 -9.9890E-01 -1.7895E+01  5.5363E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1023    1.008000    0.418000
 -1.5320E+00 -1.8659E+01  5.6954E+00
  1.0062E+01 -2.5714E+00  2.6431E+01
  3.2602E+02  1.0260E+03  2.4815E+03
HC            1024    1.008000    0.040000
 -2.5864E+00 -1.6858E+01  4.8361E+00
 -8.2136E-02  3.4723E+00 -1.3622E+01
 -1.3171E+02  5.9337E+02 -1.3488E+03
HC            1025    1.008000    0.040000
 -1.8181E+00 -1.7749E+01  3.5667E+00
 -2.8581E+01  1.4339E+00  3.1875E+00
 -9.3503E+02 -2.4019E+03  2.6059E+03
HC            1026    1.008000    0.040000
 -1.0994E+00 -1.6336E+01  4.0371E+00
 -2.4871E+00  8.9175E+00  8.5227E+00
  1.4330E+03  1.0174E+03  3.8585E+03
CT            1027   12.011000    0.145000
 -2.1123E+00  1.9427E+01  1.6008E+01
 -4.1870E-01  2.1521E+00 -1.1085E+00
 -1.2613E+03 -6.8491E+02 -1.9006E+03
OH            1028    0.000000   -0.683000
 -3.3191E+00  1.9559E+01  1.6726E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1029    1.008000    0.418000
 -3.0731E+00  1.9716E+01  1.7624E+01
  4.3268E+01  9.5324E+00 -1.1183E+01
  2.2905E+03 -3.7620E+02 -2.3833E+03
HC            1030    1.008000    0.040000
 -1.3450E+00  2.0123E+01  1.6348E+01
 -6.2442E+00  4.4419E+00  7.7134E+00
 -8.3334E+02  3.1059E+02  5.0566E+02
HC            1031    1.008000    0.040000
 -2.3189E+00  1.9518E+01  1.4942E+01
 -2.0706E+01 -4.3326E+01 -3.3985E+00
 -3.2974E+02  3.1948E+02  2.3460E+03
HC            1032    1.008000    0.040000
 -1.6189E+00  1.8456E+01  1.6047E+01
  3.3564E+01  1.8330E+01  1.3779E+01
 -1.2151E+03  1.1263E+03  1.8907E+03
CT            1033   12.011000    0.145000
 -8.7493E+00  8.3818E+00 -1.7283E+01
 -3.7161E+00 -2.7994E+00 -1.0516E+00
  8.5060E+02  9.1140E+02  1.7916E+02
OH            1034    0.000000   -0.683000
 -9.6130E+00  9.4892E+00 -1.7157E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1035    1.008000    0.418000
 -9.1558E+00  1.0283E+01 -1.7389E+01
 -2.4878E+01  1.1108E+01 -1.5265E+01
  3.9053E+02 -1.5632E+03  1.9920E+02
HC            1036    1.008000    0.040000
 -7.8310E+00  8.5685E+00 -1.6727E+01
 -1.8761E+00  9.3386E+00 -7.8046E+00
 -1.0126E+02  6.6130E+02 -1.9439E+02
HC            1037    1.008000    0.040000
 -8.4322E+00  8.2408E+00 -1.8317E+01
  1.2784E+01 -1.7128E+00  3.5783E+00
  2.4062E+01  1.7282E+02  2.7316E+02
HC            1038    1.008000    0.040000
 -9.1418E+00  7.4332E+00 -1.6917E+01
 -9.9361E+00 -1.4792E-01 -7.2600E-01
 -1.7867E+03  7.7374E+02 -1.7242E+02
CT            1039   12.011000    0.145000
  4.2335E+00 -8.8047E+00 -2.0101E+00
 -1.3634E+00 -1.6031E+00  4.5177E-01
  1.2382E+02  2.1342E+02  2.9200E+01
OH            1040    0.000000   -0.683000
  5.0022E+00 -9.1358E+00 -8.7533E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1041    1.008000    0.418000
  5.9161E+00 -8.9171E+00 -9.7545E-01
  9.3892E+00 -3.7337E+01 -1.2124E+01
 -2.6540E+03  9.7798E+02 -4.9999E+03
HC            1042    1.008000    0.040000
  4.6050E+00 -9.4917E+00 -2.7704E+00
 -4.0167E+00 -1.1925E+01  8.2509E+00
 -1.3050E+02  2.4863E+03 -1.8331E+03
HC            1043    1.008000    0.040000
  4.3401E+00 -7.7332E+00 -2.1789E+00
  1.2441E+00 -8.1740E-01  6.8000E+00
  1.4242E+03 -5.3681E+02 -2.0350E+03
HC            1044    1.008000    0.040000
  3.1597E+00 -8.9900E+00 -1.9859E+00
  4.6902E-02 -1.6675E+01 -2.2036E+01
  1.0150E+03 -1.2956E+03  1.4906E+03
CT            1045   12.011000    0.145000
 -7.2675E+00 -6.7637E+00  1.4192E+01
  2.3881E+00 -2.1014E+00 -1.6716E+00
  1.2001E+03 -3.8278E+02 -3.7881E+03
OH            1046    0.000000   -0.683000
 -6.2768E+00 -5.7773E+00  1.4376E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1047    1.008000    0.418000
 -5.4693E+00 -6.2287E+00  1.4568E+01
  1.1191E+01  1.7551E+01 -3.4663E+00
  6.5716E+01  1.1121E+03  3.7922E+02
HC            1048    1.008000    0.040000
 -8.1816E+00 -6.3295E+00  1.3787E+01
  3.0939E+00  1.5819E+00  6.3640E-01
  5.1871E+02  6.7186E+02 -4.7982E+02
HC            1049    1.008000    0.040000
 -7.5906E+00 -7.4369E+00  1.4987E+01
  1.3223E+01 -1.3229E+01 -6.3652E+00
  2.7184E+03  2.1899E+03  2.2096E+03
HC            1050    1.008000    0.040000
 -6.9066E+00 -7.4907E+00  1.3465E+01
 -1.4217E+01 -1.3587E+01  9.9670E-01
 -6.0526E+02  3.7816E+02 -5.3688E+02
CT            1051   12.011000    0.145000
  1.0264E+01 -9.5575E+00 -1.2000E+01
  1.1230E+00  2.4531E+00  3.6654E-01
  4.9563E+02 -1.7601E+03 -7.3156E+02
OH            1052    0.000000   -0.683000
  1.0787E+01 -9.9848E+00 -1.0762E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1053    1.008000    0.418000
  1.1663E+01 -1.0337E+01 -1.0805E+01
 -5.9417E+00 -1.4768E+01 -7.2425E+00
  6.0797E+02  3.2064E+03 -3.0571E+03
HC            1054    1.008000    0.040000
  1.0641E+01 -1.0001E+01 -1.2921E+01
  1.8444E+01  1.1668E+01  2.5907E+00
  2.1303E+03 -2.6667E+03  2.3883E+03
HC            1055    1.008000    0.040000
  1.0416E+01 -8.5069E+00 -1.2247E+01
  9.8298E+00  3.5050E+00  9.5128E+00
 -8.9233E+01  4.7716E+02  2.8142E+03
HC            1056    1.008000    0.040000
  9.1981E+00 -9.7834E+00 -1.1999E+01
 -1.6059E+00  1.4241E+01  1.0424E+01
 -2.4031E+02  1.7651E+03  7.7321E+02
CT            1057   12.011000    0.145000
 -2.7330E+00  1.5327E+01 -1.2470E+01
 -9.0541E-02 -1.5670E+00  2.0647E+00
 -8.2063E+02  2.7352E+03 -1.9581E+03
OH            1058    0.000000   -0.683000
 -3.8135E+00  1.4631E+01 -1.3050E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1059    1.008000    0.418000
 -3.4035E+00  1.3786E+01 -1.3159E+01
  1.6757E+01  7.8838E+00 -1.1933E+00
 -3.2936E+03 -5.8118E+02 -2.2927E+03
HC            1060    1.008000    0.040000
 -1.8548E+00  1.4681E+01 -1.2457E+01
 -5.4652E+00 -9.4020E+00 -8.2547E+00
  1.8922E+00  4.9121E+02 -2.1514E+03
HC            1061    1.008000    0.040000
 -2.8415E+00  1.5702E+01 -1.1453E+01
 -1.2289E+01 -2.1179E+01  8.5547E+00
 -2.9266E+03 -1.1861E+03 -2.9462E+02
HC            1062    1.008000    0.040000
 -2.5555E+00  1.6188E+01 -1.3114E+01
 -1.5073E+01 -2.1255E+00 -3.2041E+00
  5.1072E+02 -1.6708E+02 -8.3012E+01
CT            1063   12.011000    0.145000
  8.0100E+00 -1.7348E+01  2.5020E+00
  2.0979E+00  2.0307E+00  3.0599E+00
 -3.0894E+03 -4.7022E+02  2.4722E+03
OH            1064    0.000000   -0.683000
  7.4254E+00 -1.6133E+01  2.0904E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1065    1.008000    0.418000
  6.6895E+00 -1.5961E+01  2.6575E+00
 -9.5259E-01  7.8446E-03 -1.2335E+00
 -5.6617E+02  2.5740E+03 -1.5372E+03
HC            1066    1.008000    0.040000
  9.0086E+00 -1.7229E+01  2.9223E+00
 -4.9124E+00  7.9730E+00  1.8818E+01
 -2.8730E+02 -1.8754E+01 -6.6045E+02
HC            1067    1.008000    0.040000
  7.9551E+00 -1.8109E+01  1.7229E+00
  8.8064E+00  1.1354E+01 -6.8085E+00
  7.3387E+02  6.9019E+02 -3.7186E+02
HC            1068    1.008000    0.040000
  7.3595E+00 -1.7661E+01  3.3185E+00
 -3.9125E+00  8.6073E+00  8.9599E-01
  8.3796E+02 -1.0215E+03  5.2847E+02
CT            1069   12.011000    0.145000
  6.3843E+00  1.5103E-01  5.6119E+00
  6.4777E+00 -1.0088E+01  3.1916E+00
  1.4877E+03  2.2062E+03 -1.5027E+03
OH            1070    0.000000   -0.683000
  7.2461E+00  9.6215E-01  6.3783E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1071    1.008000    0.418000
  8.0570E+00  1.0519E+00  5.9014E+00
  5.5441E+00  7.6317E+00  1.0447E+01
 -3.9521E+02 -7.3166E+02 -2.9632E+02
HC            1072    1.008000    0.040000
  6.0745E+00  7.6803E-01  4.7684E+00
  3.4339E-01  4.8527E+00  1.5874E+01
 -9.6333E+02 -4.1084E+02  3.2884E+02
HC            1073    1.008000    0.040000
  5.4740E+00 -9.9513E-02  6.1565E+00
 -8.1093E+00  1.6724E+01 -6.9550E+00
  1.0028E+03 -2.1203E+02 -8.7787E+02
HC            1074    1.008000    0.040000
  6.9965E+00 -6.4731E-01  5.1924E+00
  1.7763E+01  3.0765E+00 -6.3269E+00
 -1.4140E+03 -8.5042E+02  9.5460E+02
CT            1075   12.011000    0.145000
  5.6454E+00 -1.9805E+01 -8.3906E+00
  5.9018E+00 -1.6503E+00  4.6821E-01
  1.0241E+03 -2.2245E+03  8.5974E+01
OH            1076    0.000000   -0.683000
  5.4694E+00 -2.0019E+01 -7.0082E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1077    1.008000    0.418000
  6.2006E+00 -1.9595E+01 -6.5858E+00
  5.0268E+00 -1.6718E+00 -6.8461E+00
 -1.7947E+03  8.5227E+01  2.5451E+03
HC            1078    1.008000    0.040000
  4.8378E+00 -2.0357E+01 -8.8708E+00
  4.2029E+00 -6.8683E+00  9.1098E+00
 -3.0228E+02  1.6028E+03 -1.0148E+03
HC            1079    1.008000    0.040000
  6.5716E+00 -2.0259E+01 -8.7428E+00
  1.3894E+01  1.1351E+01  4.0287E+00
  6.6407E+02  1.1588E+03  2.4745E+02
HC            1080    1.008000    0.040000
  5.6641E+00 -1.8733E+01 -8.5902E+00
  2.5369E+00  1.8106E-01  9.5003E+00
 -4.6881E+02 -4.4773E+02 -8.2612E+02
CT            1081   12.011000    0.145000
  1.8964E+01 -1.4570E+01 -1.2297E+00
 -4.0979E-01 -2.5184E+00 -1.7516E-01
  1.3521E+03 -1.1207E+03 -2.4370E+03
OH            1082    0.000000   -0.683000
  1.7814E+01 -1.4326E+01 -2.0083E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1083    1.008000    0.418000
  1.7925E+01 -1.4912E+01 -2.7409E+00
  3.2919E+01  1.0700E+01 -5.2231E+00
  1.1193E+03  2.4296E+03 -4.2328E+02
HC            1084    1.008000    0.040000
  1.9111E+01 -1.5634E+01 -1.0484E+00
  2.3336E+01 -2.9706E+00 -1.7386E+01
 -7.8622E+02  9.2298E+02  8.1587E+02
HC            1085    1.008000    0.040000
  1.8956E+01 -1.3999E+01 -3.0098E-01
  4.6407E+00 -5.2046E+00  1.5532E+00
  4.1976E+02 -9.1321E+01 -2.3637E+02
HC            1086    1.008000    0.040000
  1.9792E+01 -1.4299E+01 -1.8841E+00
 -2.5493E+01  1.1798E+01 -2.8494E+01
 -8.8945E+02  6.9610E+02  1.4501E+03
CT            1087   12.011000    0.145000
  3.9358E+00  1.7657E+01  9.3914E+00
  9.1772E-01  4.0830E+00 -3.7080E+00
  7.8544E+02  8.3132E+02  1.5453E+03
OH            1088    0.000000   -0.683000
  5.2562E+00  1.7194E+01  9.2169E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1089    1.008000    0.418000
  5.7404E+00  1.7578E+01  9.9317E+00
  4.1386E+00  8.9230E+00 -7.3893E+00
  1.0444E+03  2.5389E+03 -2.0820E+03
HC            1090    1.008000    0.040000
  3.7809E+00  1.8729E+01  9.2691E+00
 -1.8855E+01  4.0525E+00  1.5013E+01
  7.9254E+02 -6.1474E+02 -7.0964E+01
HC            1091    1.008000    0.040000
  3.7948E+00  1.7491E+01  1.0459E+01
  1.9103E+01  1.4475E+01  7.3872E-01
 -2.5324E+03  4.5915E+00 -8.6674E+02
HC            1092    1.008000    0.040000
  3.2420E+00  1.7109E+01  8.7535E+00
  6.9178E+00 -7.5187E+00 -5.5873E-01
  2.3029E+01 -4.4316E+02  8.5420E+02
CT            1093   12.011000    0.145000
  3.5891E+00 -1.3313E+01  1.8336E+01
 -6.0171E-02  1.6742E+00 -2.3920E+00
  1.9034E+03  7.7004E+02  1.3955E+03
OH            1094    0.000000   -0.683000
  4.4771E+00 -1.4202E+01  1.7695E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1095    1.008000    0.418000
  5.2812E+00 -1.3710E+01  1.7765E+01
 -1.2948E+01  2.1321E+01  9.1958E+00
 -2.6805E+02 -1.0294E+03 -2.3876E+03
HC            1096    1.008000    0.040000
  2.5137E+00 -1.3489E+01  1.8367E+01
 -3.5833E+00  2.1297E+01 -7.9297E-01
  9.2223E+02 -1.6736E+03 -1.9843E+03
HC            1097    1.008000    0.040000
  3.7058E+00 -1.2302E+01  1.7945E+01
 -1.9597E+01  7.0610E+00  4.5407E+00
 -9.2116E+02 -2.7358E+02 -7.4451E+01
HC            1098    1.008000    0.040000
  3.9355E+00 -1.3268E+01  1.9368E+01
  1.9381E+01  5.4862E+00 -8.6646E+00
 -4.4668E+02  1.3605E+02 -1.4331E+02
CT            1099   12.011000    0.145000
  1.3768E+01  1.5043E+01 -1.0851E+01
  1.0731E+00 -5.4301E+00  9.6009E-01
 -1.2327E+03 -5.0677E+02  2.1779E+03
OH            1100    0.000000   -0.683000
  1.4829E+01  1.5409E+01 -9.9969E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1101    1.008000    0.418000
  1.5517E+01  1.5709E+01 -1.0571E+01
 -1.4301E+01  3.8858E+00 -1.5929E+01
 -4.4872E+02  1.3490E+03  1.0432E+03
HC            1102    1.008000    0.040000
  1.4046E+01  1.4159E+01 -1.1424E+01
 -8.4180E+00 -1.3049E+01  7.7643E+00
 -8.8015E+01  1.1630E+03 -1.1861E+03
HC            1103    1.008000    0.040000
  1.3370E+01  1.5880E+01 -1.1425E+01
 -5.1768E+00 -1.1683E+00  1.1203E+01
  1.6562E+03 -3.4832E+02 -1.0087E+03
HC            1104    1.008000    0.040000
  1.2924E+01  1.4735E+01 -1.0233E+01
  5.6902E+00 -6.9211E+00  6.6083E+00
  8.2725E+01 -4.6121E+02  1.4523E+02
CT            1105   12.011000    0.145000
 -4.0943E+00 -3.2874E+00 -4.3319E+00
 -3.6101E-01  3.4405E+00 -1.9317E+00
 -6.4287E+02 -5.0110E+03  3.1271E+03
OH            1106    0.000000   -0.683000
 -4.6191E+00 -3.9729E+00 -5.4467E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1107    1.008000    0.418000
 -5.4207E+00 -3.5208E+00 -5.6614E+00
 -8.8045E+00 -9.9790E+00  1.0511E+01
  4.5996E+01 -2.9535E+02  4.2805E+02
HC            1108    1.008000    0.040000
 -4.9795E+00 -3.1693E+00 -3.7069E+00
  1.2154E+01 -5.1053E+00  1.8438E+01
  2.0739E+03  3.5707E+03  1.5302E+03
HC            1109    1.008000    0.040000
 -3.5012E+00 -2.4265E+00 -4.6406E+00
  8.4789E-01  8.0292E-02 -9.1910E+00
 -1.4915E+03  8.5393E+02  1.4955E+03
HC            1110    1.008000    0.040000
 -3.4549E+00 -4.0215E+00 -3.8416E+00
  2.2740E+01  1.6590E+01 -1.0767E+01
  1.4024E+03  1.8455E+03  6.0600E+02
CT            1111   12.011000    0.145000
  1.8679E+01  1.6111E+01 -1.5806E+01
 -3.2489E-02 -7.8196E-02 -1.4304E+00
 -9.0537E+01  5.1812E+02  1.1977E+03
OH            1112    0.000000   -0.683000
  1.7301E+01  1.5820E+01 -1.5758E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1113    1.008000    0.418000
  1.6827E+01  1.6618E+01 -1.5933E+01
 -1.7443E+01 -7.5144E+00  1.0255E+01
  3.4332E+02 -1.0115E+03 -2.2902E+03
HC            1114    1.008000    0.040000
  1.9258E+01  1.5546E+01 -1.5076E+01
  1.2866E+01  1.1687E+01 -2.1270E+00
 -1.3331E+02 -2.1128E+03 -2.0559E+03
HC            1115    1.008000    0.040000
  1.8939E+01  1.7131E+01 -1.5522E+01
 -1.4277E+01  1.0935E+01 -2.4840E+01
 -2.8143E+03 -4.4089E+02  1.3279E+03
HC            1116    1.008000    0.040000
  1.9110E+01  1.6085E+01 -1.6807E+01
  9.3726E-01  2.5650E+00 -1.0905E+00
 -5.1371E+02 -1.9583E+03 -2.4931E+01
CT            1117   12.011000    0.145000
 -6.3518E-01  1.7406E+01  1.2026E+01
 -1.6183E+00  6.0042E-01 -4.2840E+00
  2.1086E+02 -5.0453E+03  1.2692E+03
OH            1118    0.000000   -0.683000
  6.7357E-01  1.7275E+01  1.1518E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1119    1.008000    0.418000
  1.1859E+00  1.7105E+01  1.2294E+01
 -1.3713E+01  5.9902E-01  9.5506E+00
 -4.4592E+02 -4.9485E+02 -1.5614E+02
HC            1120    1.008000    0.040000
 -1.2090E+00  1.8099E+01  1.1411E+01
 -1.9457E+01 -1.1197E+01 -1.6823E+00
 -2.1150E+03 -1.0040E+03  1.9051E+03
HC            1121    1.008000    0.040000
 -6.7787E-01  1.7547E+01  1.3106E+01
 -2.2288E+01 -1.5858E+01 -2.3066E+00
 -4.5056E+01  3.4033E+03 -1.3193E+03
HC            1122    1.008000    0.040000
 -9.9606E-01  1.6378E+01  1.2036E+01
  2.8447E+01 -1.0967E+01  6.6845E+00
 -1.5299E+03  1.6359E+03 -2.4108E+03
CT            1123   12.011000    0.145000
  1.1957E+01 -3.0873E+00  1.8711E+01
  2.0324E+00 -4.2891E+00 -5.8314E+00
 -1.1587E+03  2.2379E+03  1.6640E+03
OH            1124    0.000000   -0.683000
  1.0617E+01 -3.1112E+00  1.8272E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1125    1.008000    0.418000
  1.0276E+01 -2.2467E+00  1.8102E+01
 -9.1596E+00 -5.0771E+00 -8.4756E+00
  2.0946E+03  8.6748E+02  2.4513E+03
HC            1126    1.008000    0.040000
  1.1907E+01 -2.7811E+00  1.9756E+01
 -1.0575E+01  2.4040E+01 -1.3746E+01
  8.2982E+02  3.3109E+03 -1.4037E+03
HC            1127    1.008000    0.040000
  1.2439E+01 -2.3340E+00  1.8088E+01
  1.6215E+00  1.0720E+01  1.1172E+01
  1.7634E+03  5.8967E+02  2.6247E+03
HC            1128    1.008000    0.040000
  1.2606E+01 -3.9613E+00  1.8762E+01
  8.3698E+00  3.7283E-01 -5.3916E+00
 -2.7402E+03 -1.7114E+03 -2.8652E+03
CT            1129   12.011000    0.145000
 -2.8444E+00  5.7780E+00 -1.7745E-01
 -5.4865E+00  5.3309E+00 -1.7932E+00
  4.7294E+03 -3.9186E+02 -1.0836E+03
OH            1130    0.000000   -0.683000
 -3.0044E+00  5.1762E+00 -1.4425E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1131    1.008000    0.418000
 -3.9468E+00  5.2383E+00 -1.4758E+00
  5.7301E-01  3.6274E+01  9.3676E+00
  2.0253E+03 -3.3686E+03 -2.4868E+03
HC            1132    1.008000    0.040000
 -1.7994E+00  5.6756E+00  1.1502E-01
 -6.8157E+00 -5.9379E+00 -5.4057E-01
  2.3657E+02 -8.8874E+02 -1.3773E+02
HC            1133    1.008000    0.040000
 -3.3648E+00  5.2868E+00  6.4480E-01
  1.9274E+01  4.2545E+00  1.4296E+01
 -6.3708E+02  8.5008E+02 -1.5404E+03
HC            1134    1.008000    0.040000
 -3.0241E+00  6.8526E+00 -2.0927E-01
 -1.9288E+01  3.2304E+00 -9.2729E-01
 -1.8420E+03 -4.6445E+02  4.6175E+02
CT            1135   12.011000    0.145000
  1.0224E+01  1.3320E+01  2.0355E+01
  5.7484E-01 -2.5507E+00 -8.9184E+00
 -4.9819E+02  1.7610E+03 -6.0961E+02
OH            1136    0.000000   -0.683000
  8.8277E+00  1.3470E+01  2.0232E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1137    1.008000    0.418000
  8.5739E+00  1.2793E+01  1.9623E+01
 -4.5279E-01 -4.3431E+00  4.9406E+00
 -5.2514E+02  2.7829E+01  2.5210E+02
HC            1138    1.008000    0.040000
  1.0706E+01  1.3694E+01  1.9452E+01
 -1.8801E+01 -5.5066E+00 -2.1059E+01
 -4.2772E+02 -1.8198E+03 -5.5565E+02
HC            1139    1.008000    0.040000
  1.0536E+01  1.2301E+01 -2.0314E+01
  1.2726E+01  6.2256E+00  1.7381E+01
  7.4965E+01  1.0311E+03 -2.5202E+02
HC            1140    1.008000    0.040000
  1.0605E+01  1.3930E+01 -1.9726E+01
 -8.7929E+00 -1.6986E+01  6.8657E+00
 -8.1841E+02 -1.7935E+03  1.3515E+03
CT            1141   12.011000    0.145000
 -1.5737E+01  2.0927E-01 -4.4630E+00
 -2.2962E+00 -6.3819E-02 -4.1666E+00
  2.2510E+02  3.8692E+02 -3.7952E+03
OH            1142    0.000000   -0.683000
 -1.5376E+01 -1.1429E+00 -4.6356E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1143    1.008000    0.418000
 -1.5804E+01 -1.5581E+00 -5.3688E+00
 -2.7381E+00  2.7588E+01 -1.5400E+01
 -1.4053E+03  3.5715E+03 -3.6958E+02
HC            1144    1.008000    0.040000
 -1.6781E+01  3.2400E-01 -4.1727E+00
 -3.9453E+00  5.7677E+00 -1.2060E+01
  3.9855E+02  6.1694E+02  4.2281E+02
HC            1145    1.008000    0.040000
 -1.5591E+01  6.9017E-01 -5.4303E+00
 -1.0690E+00  1.2527E+01  2.0725E+00
 -8.4822E+02  1.3952E+03  3.5792E+02
HC            1146    1.008000    0.040000
 -1.5100E+01  7.2333E-01 -3.7429E+00
 -3.5595E+01  1.8116E+01  1.4789E+01
 -2.3980E+03 -4.4809E+02  6.5253E+01
CT            1147   12.011000    0.145000
  4.5352E+00 -1.2669E+01  5.9661E+00
 -4.4417E-01  1.8201E+00  2.0884E+00
  1.0336E+02 -1.2668E+03 -3.8846E+02
OH            1148    0.000000   -0.683000
  3.1434E+00 -1.2815E+01  5.7931E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1149    1.008000    0.418000
  2.7869E+00 -1.2962E+01  6.6559E+00
  2.0223E+01  7.7015E+00  1.0332E+01
  1.9290E+03  1.2271E+03  5.7315E+02
HC            1150    1.008000    0.040000
  5.0129E+00 -1.3584E+01  6.3171E+00
 -1.5542E+01 -2.3516E+00  1.2791E+01
 -2.1131E+03 -4.0129E+02  1.5891E+03
HC            1151    1.008000    0.040000
  4.7472E+00 -1.1850E+01  6.6529E+00
 -2.9072E+00  1.6184E+01 -1.3624E+01
  1.6517E+02 -2.4436E+02 -5.5696E+02
HC            1152    1.008000    0.040000
  5.0932E+00 -1.2512E+01  5.0432E+00
 -5.1297E+00 -1.1888E+01 -3.3450E+00
 -2.1560E+03  1.7233E+03 -7.0025E+02
CT            1153   12.011000    0.145000
  1.6481E+01  3.4106E+00  1.0675E+01
  3.8056E+00 -9.0813E-01 -3.8971E+00
 -2.6099E+03 -3.6864E+03  1.2528E+03
OH            1154    0.000000   -0.683000
  1.7390E+01  2.9918E+00  1.1668E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1155    1.008000    0.418000
  1.6844E+01  2.5516E+00  1.2301E+01
 -1.8517E+01 -3.0215E+00 -1.7058E+01
 -1.3297E+03  7.7379E+01 -1.7859E+03
HC            1156    1.008000    0.040000
  1.6104E+01  2.4149E+00  1.0442E+01
 -7.4789E+00  5.2027E+00 -1.2781E+01
 -1.5939E+02  1.0360E+03 -5.3821E+03
HC            1157    1.008000    0.040000
  1.6982E+01  4.0004E+00  9.9072E+00
  1.0805E+00  3.8963E+00 -2.0295E+00
 -8.2961E+02 -1.9649E+03 -1.4585E+03
HC            1158    1.008000    0.040000
  1.5533E+01  3.8530E+00  1.0982E+01
 -4.7509E+00 -2.0820E+01 -4.2171E-02
  1.9702E+03  1.6341E+03  1.7300E+03
CT            1159   12.011000    0.145000
 -3.7321E+00 -1.4673E+01 -1.7787E+01
 -3.5002E+00 -5.2156E+00 -3.3460E+00
  7.4753E+02 -8.4588E+02 -1.2271E+03
OH            1160    0.000000   -0.683000
 -2.9343E+00 -1.5626E+01 -1.7121E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1161    1.008000    0.418000
 -2.2071E+00 -1.5091E+01 -1.6842E+01
 -1.1788E+01  9.8071E+00  1.3389E+01
  1.7461E+01 -2.3227E+03  3.0621E+03
HC            1162    1.008000    0.040000
 -4.1825E+00 -1.4084E+01 -1.6988E+01
 -1.6899E+00 -3.5396E+01  2.1882E+01
 -3.7715E+02 -3.1045E+02 -2.4033E+03
HC            1163    1.008000    0.040000
 -4.4642E+00 -1.5188E+01 -1.8409E+01
 -2.4043E+01 -3.9107E+00  1.8320E+01
 -1.3010E+03  1.4786E+03  1.2977E+03
HC            1164    1.008000    0.040000
 -3.0259E+00 -1.4119E+01 -1.8406E+01
 -8.1286E+00  5.3194E+00  5.6138E-01
 -1.6008E+03  1.7577E+03 -2.7478E+02
CT            1165   12.011000    0.145000
  6.8659E+00 -4.5333E+00  1.9069E+01
  2.0434E+00 -4.4092E+00 -1.2579E+00
 -1.6819E+03  2.9513E+03  3.6015E+02
OH            1166    0.000000   -0.683000
  5.5968E+00 -5.1413E+00  1.9159E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1167    1.008000    0.418000
  4.9682E+00 -4.4527E+00  1.9313E+01
 -7.4878E-01  7.6086E+00 -3.0651E+01
  9.0584E+02 -9.7038E+02  7.0560E+02
HC            1168    1.008000    0.040000
  6.9234E+00 -3.8175E+00  1.9889E+01
 -2.8171E+01 -1.6959E+00 -3.8549E-01
  5.4215E+02 -2.2458E+03  8.7911E+02
HC            1169    1.008000    0.040000
  6.9739E+00 -3.8442E+00  1.8232E+01
 -5.1845E+00  1.0945E+00  2.2250E+00
 -1.9603E+03 -1.0855E+03 -1.1793E+03
HC            1170    1.008000    0.040000
  7.7069E+00 -5.2252E+00  1.9022E+01
 -7.1348E+00 -1.6481E+01  6.1586E+00
 -1.2370E+03 -9.1663E+02  1.1012E+03
CT            1171   12.011000    0.145000
  1.8540E+01  2.3322E+00 -1.7124E+01
 -1.7929E+00 -1.8304E+00 -9.4352E-02
 -2.1442E+03 -3.7569E+03 -1.2526E+03
OH            1172    0.000000   -0.683000
  1.7872E+01  3.0426E+00 -1.8142E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1173    1.008000    0.418000
  1.8443E+01  3.7926E+00 -1.8208E+01
 -2.0219E+00  9.9712E-01 -6.9508E+00
 -1.1830E+03  5.4496E+02 -4.6438E+03
HC            1174    1.008000    0.040000
  1.8468E+01  2.5614E+00 -1.6060E+01
  9.9786E+00 -8.4885E+00  2.3138E+00
 -3.3179E+03  4.2689E+03 -1.8166E+03
HC            1175    1.008000    0.040000
  1.9626E+01  2.2927E+00 -1.7201E+01
 -2.7257E+00  2.3999E+00 -2.1339E+01
 -5.5596E+02  8.7332E+02 -3.7847E+03
HC            1176    1.008000    0.040000
  1.8161E+01  1.3110E+00 -1.7079E+01
 -3.3249E+01  8.0607E+00 -1.2710E+01
 -3.2326E+02  7.0406E+02 -2.4741E+03
CT            1177   12.011000    0.145000
 -1.7791E+01 -1.2353E+01 -1.4298E+01
  4.9113E-01 -1.0900E+01  8.4734E-01
  1.9505E+03 -2.3622E+03  2.3281E+03
OH            1178    0.000000   -0.683000
 -1.8483E+01 -1.2278E+01 -1.3072E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1179    1.008000    0.418000
 -1.7991E+01 -1.1646E+01 -1.2571E+01
 -1.1188E+01  1.0666E+01 -1.9938E+00
 -1.9364E+03 -8.2440E+01  1.6339E+03
HC            1180    1.008000    0.040000
 -1.8375E+01 -1.2632E+01 -1.5175E+01
 -4.3460E+00  1.0266E+01 -3.2169E+00
 -1.0734E+03  1.8097E+03  7.4344E+02
HC            1181    1.008000    0.040000
 -1.6985E+01 -1.3085E+01 -1.4242E+01
  1.1712E+00 -9.3893E+00  1.3911E+01
 -4.0118E+02 -5.6298E+02  1.5466E+03
HC            1182    1.008000    0.040000
 -1.7200E+01 -1.1460E+01 -1.4498E+01
  8.9088E+00 -1.9439E+01 -1.4313E+01
 -2.7752E+03  9.8922E+02 -7.8517E+02
CT            1183   12.011000    0.145000
 -4.5084E-01  1.8425E+01 -4.2260E+00
  1.8255E+00  4.6980E+00  8.4514E-01
  1.5893E+03  3.4127E+03 -1.7075E+03
OH            1184    0.000000   -0.683000
  8.5905E-01  1.7904E+01 -4.1918E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1185    1.008000    0.418000
  1.4413E+00  1.8304E+01 -3.5639E+00
  2.1943E+01 -1.7853E+01 -7.6115E+00
 -3.6468E+03  5.8232E+02  9.6422E+02
HC            1186    1.008000    0.040000
 -4.1832E-01  1.9309E+01 -4.8625E+00
 -1.6225E+01  6.3645E+00  1.7207E+00
 -1.4994E+03 -1.0055E+03 -1.6429E+03
HC            1187    1.008000    0.040000
 -8.4840E-01  1.8849E+01 -3.3040E+00
 -1.5879E+00 -1.3910E+01  8.3835E+00
 -9.6069E-01 -4.1746E+03  1.7716E+03
HC            1188    1.008000    0.040000
 -1.0740E+00  1.7636E+01 -4.6469E+00
 -2.2618E+01  1.6476E+01  1.2866E+01
 -2.5827E+03  2.4463E+03  9.9814E+02
CT            1189   12.011000    0.145000
  1.4518E+01  4.1965E+00  1.3554E+00
 -1.9690E+00  8.5452E-02 -2.1753E+00
  1.0242E+02 -1.5674E+03 -1.1883E+02
OH            1190    0.000000   -0.683000
  1.3481E+01  3.9915E+00  2.2893E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1191    1.008000    0.418000
  1.3426E+01  3.0945E+00  2.5814E+00
 -1.8767E+01  6.6986E+00  1.9682E+01
  2.0872E+03  1.3900E+03  2.0252E+03
HC            1192    1.008000    0.040000
  1.4617E+01  5.0712E+00  7.1275E-01
  8.8051E+00 -1.9085E+01 -2.8434E+01
 -2.8757E+03  4.4992E+02  2.9832E+03
HC            1193    1.008000    0.040000
  1.4447E+01  3.4319E+00  5.8178E-01
 -2.9428E+00  3.7989E+00 -5.7921E+00
  1.1602E+03 -8.4450E+02  6.6342E+02
HC            1194    1.008000    0.040000
  1.5454E+01  4.1073E+00  1.9060E+00
 -5.4295E+00 -8.8272E+00  2.4738E+00
  1.1988E+02 -3.8388E+02 -4.4931E+02
CT            1195   12.011000    0.145000
  8.5972E+00 -1.6053E+01 -1.4637E+01
 -7.3431E-01 -8.6353E-01  1.9376E+00
  2.2947E+03 -1.1773E+03 -4.9883E+03
OH            1196    0.000000   -0.683000
  7.3188E+00 -1.6233E+01 -1.5204E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1197    1.008000    0.418000
  6.8857E+00 -1.6802E+01 -1.4586E+01
 -7.8094E+00  1.6655E+01  1.0603E+01
 -1.7625E+03  1.3425E+03 -5.5522E+02
HC            1198    1.008000    0.040000
  8.9774E+00 -1.5032E+01 -1.4658E+01
  9.3485E+00 -4.3133E+00  8.9001E+00
 -1.2436E+03  3.2701E+02  2.3364E+03
HC            1199    1.008000    0.040000
  9.2780E+00 -1.6587E+01 -1.5300E+01
  3.6490E-02 -2.0789E+01  1.7778E+01
  2.8251E+02 -8.4528E+02  1.0384E+03
HC            1200    1.008000    0.040000
  8.6966E+00 -1.6564E+01 -1.3679E+01
  8.5131E+00 -2.0365E+00  4.4534E-01
  4.3985E+02  1.7734E+03  4.4556E+02
CT            1201   12.011000    0.145000
  1.5512E+01  1.0694E+01  1.9465E+01
 -4.0914E+00 -5.2262E+00  3.4821E-01
 -2.0012E+03 -2.6000E+03  8.4020E+02
OH            1202    0.000000   -0.683000
  1.4599E+01  1.1467E+01  2.0211E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1203    1.008000    0.418000
  1.4976E+01  1.1769E+01 -1.9877E+01
 -2.9320E+00  1.8650E+01 -5.1091E+00
  1.7673E+03 -2.7202E+02 -1.2260E+03
HC            1204    1.008000    0.040000
  1.6183E+01  1.0091E+01  2.0077E+01
 -7.3580E+00 -9.3387E+00 -7.4934E-02
 -2.3260E+02  9.4757E+02  1.2023E+03
HC            1205    1.008000    0.040000
  1.6131E+01  1.1179E+01  1.8711E+01
  4.1919E+00  4.1649E+00  1.2779E+01
 -9.4530E+02  2.5753E+03  1.4754E+03
HC            1206    1.008000    0.040000
  1.4956E+01  9.9410E+00  1.8907E+01
  9.7240E-01 -2.2705E+00 -8.8946E+00
 -2.5962E+02  2.1219E+02 -2.2693E+02
CT            1207   12.011000    0.145000
  9.2223E+00 -1.6053E+00  2.2126E+00
 -4.7035E+00  3.9144E+00 -5.6505E+00
  3.2360E+03 -2.1550E+03 -2.7533E+03
OH            1208    0.000000   -0.683000
  8.5074E+00 -2.8004E+00  1.9921E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1209    1.008000    0.418000
  7.8951E+00 -2.8882E+00  2.7065E+00
 -4.5993E+00  1.4460E+01 -1.8367E+00
  9.4124E+02  3.7436E+02  5.2017E+02
HC            1210    1.008000    0.040000
  9.9229E+00 -1.3377E+00  1.4216E+00
 -4.4012E+00  6.5310E+00 -4.5082E+00
 -1.6665E+03 -2.6980E+03 -2.6974E+03
HC            1211    1.008000    0.040000
  9.9308E+00 -1.6204E+00  3.0408E+00
 -4.0300E+01  8.0813E+00  2.7778E+01
 -4.3454E+03 -1.3874E+03  1.8074E+03
HC            1212    1.008000    0.040000
  8.6777E+00 -6.6186E-01  2.2521E+00
  3.0893E+00  8.0826E+00  1.3719E+01
 -1.1933E+03 -1.4939E+03  2.5802E+03
CT            1213   12.011000    0.145000
  1.7546E+00  1.5067E+01  4.3035E+00
  4.3808E-01  3.1971E+00 -3.3560E+00
  9.4542E+02  2.0936E+03 -1.8454E+03
OH            1214    0.000000   -0.683000
  2.5037E+00  1.4152E+01  3.5358E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1215    1.008000    0.418000
  2.0239E+00  1.3355E+01  3.6986E+00
 -3.0733E+01  2.0748E+01  2.2698E+01
  4.3552E+03  4.6393E+02  2.6637E+02
HC            1216    1.008000    0.040000
  8.6961E-01  1.5173E+01  3.6760E+00
 -9.1784E+00 -6.6843E+00  8.0334E+00
 -2.4478E+03  5.3851E+02  3.6427E+03
HC            1217    1.008000    0.040000
  2.3698E+00  1.5966E+01  4.3488E+00
  1.2372E+01 -5.1548E+00  7.5774E+00
 -9.1962E+02  4.1550E+02  1.3550E+03
HC            1218    1.008000    0.040000
  1.6751E+00  1.4525E+01  5.2458E+00
  7.4349E+00 -1.8403E+01 -1.4511E+01
 -2.4665E+03  2.1177E+03 -2.0978E+02
CT            1219   12.011000    0.145000
 -1.7303E+01  1.9934E+01  4.8119E+00
 -3.5206E+00 -4.9814E+00  2.8983E+00
 -1.1816E+03 -5.6841E+02 -1.0586E+03
OH            1220    0.000000   -0.683000
 -1.8375E+01 -2.0075E+01  5.0263E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1221    1.008000    0.418000
 -1.8720E+01 -1.9695E+01  4.2328E+00
 -7.8426E+00  1.3715E+01  9.5472E+00
  2.9932E+03 -3.5978E+03 -2.0598E+03
HC            1222    1.008000    0.040000
 -1.6613E+01  2.0286E+01  4.0453E+00
 -1.7183E+01 -8.8757E-01 -7.9392E+00
 -4.5563E+02  8.2256E+02  3.9827E+02
HC            1223    1.008000    0.040000
 -1.7723E+01  1.8987E+01  4.4719E+00
  1.2905E+00 -1.1034E+01  1.3323E+01
  9.8245E+02 -4.9675E+02  2.0564E+02
HC            1224    1.008000    0.040000
 -1.6775E+01  1.9792E+01  5.7549E+00
  1.0674E+00  5.3634E+00  2.0297E+00
  2.7233E+02 -7.8393E+02 -5.7085E+02
CT            1225   12.011000    0.145000
  3.5431E+00  1.2852E+01  1.2379E+01
  4.2314E+00 -1.2994E+00  4.0417E+00
 -2.1212E+03  6.3399E+02 -2.5717E+03
OH            1226    0.000000   -0.683000
  4.0776E+00  1.1887E+01  1.1500E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1227    1.008000    0.418000
  4.3035E+00  1.1115E+01  1.1995E+01
 -8.7809E-01 -5.7186E+00 -8.3104E+00
  6.9015E+00  1.0575E+03  1.2907E+03
HC            1228    1.008000    0.040000
  4.2400E+00  1.3389E+01  1.3022E+01
  1.5337E+01  1.0552E+01 -1.6797E+01
  6.6401E+02 -3.0335E+03  1.1147E+02
HC            1229    1.008000    0.040000
  2.6273E+00  1.2491E+01  1.2846E+01
 -1.1917E+01  1.9224E+00 -2.2946E+01
  1.6398E+03 -5.2216E+02  3.3438E+02
HC            1230    1.008000    0.040000
  3.1550E+00  1.3695E+01  1.1807E+01
  1.7422E+00  2.1948E+00  1.0769E+01
 -1.0256E+00 -5.5090E+02 -1.0530E+03
CT            1231   12.011000    0.145000
 -5.8357E+00  3.0435E-01  7.4369E+00
  3.1097E+00 -3.2904E-01 -1.7389E+00
 -9.7512E+02 -2.1569E+03 -1.8954E+01
OH            1232    0.000000   -0.683000
 -6.4985E+00  5.3870E-01  6.2146E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1233    1.008000    0.418000
 -6.6099E+00 -1.6056E-01  5.5888E+00
  1.4198E+01 -1.0673E+01  8.7697E+00
  3.7229E+03 -4.1631E+03  3.9266E+03
HC            1234    1.008000    0.040000
 -6.5151E+00 -5.0121E-02  8.2120E+00
 -1.3174E+01 -8.8657E+00 -1.9093E+01
 -4.9588E+02 -1.6799E+03 -1.6462E+03
HC            1235    1.008000    0.040000
 -5.4956E+00  1.2839E+00  7.7730E+00
  1.3723E+01  1.0763E+00 -1.5657E+01
  1.5761E+03 -8.8525E+02 -3.2068E+02
HC            1236    1.008000    0.040000
 -5.0191E+00 -4.0890E-01  7.3244E+00
 -9.6712E+00 -1.6267E+01  2.6638E+00
  1.4775E+02  7.3319E+02  3.6524E+02
CT            1237   12.011000    0.145000
  2.4323E+00 -7.6794E+00  7.9801E+00
  1.7134E+00 -9.2798E-01  5.5701E+00
  5.7948E+03 -1.0498E+03  3.4504E+03
OH            1238    0.000000   -0.683000
  2.6404E+00 -6.2941E+00  8.1406E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1239    1.008000    0.418000
  2.0250E+00 -5.8485E+00  7.5787E+00
  1.3147E+00  1.2064E+01  7.7566E+00
  1.2413E+02  1.1535E+03  1.0036E+03
HC            1240    1.008000    0.040000
  3.3126E+00 -8.0538E+00  8.5025E+00
  2.9156E+01  5.5344E+00 -3.1836E+01
 -1.9151E+03 -2.0888E+03 -1.4775E+03
HC            1241    1.008000    0.040000
  2.6431E+00 -7.8612E+00  6.9262E+00
  1.9495E+00 -1.1781E+01  7.3744E+00
 -2.7403E+03 -3.0009E+03  1.8180E+02
HC            1242    1.008000    0.040000
  1.4745E+00 -8.0000E+00  8.3897E+00
 -9.9641E+00  4.6142E+00 -1.5866E+01
 -4.2929E+02 -4.8112E+02 -2.9882E+03
CT            1243   12.011000    0.145000
  6.9938E+00  9.1298E+00 -1.5273E+00
 -2.9552E+00  4.2649E+00  1.6355E-01
 -2.9749E+03  8.3573E+02  1.1963E+02
OH            1244    0.000000   -0.683000
  6.8254E+00  9.0604E+00 -2.9255E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1245    1.008000    0.418000
  6.3311E+00  9.8126E+00 -3.2134E+00
 -1.3620E+00  1.4842E+00  6.0724E+00
  5.5854E+02  3.5332E+01 -6.5292E+02
HC            1246    1.008000    0.040000
  6.1725E+00  8.6017E+00 -1.0428E+00
  2.0779E+01 -9.5522E+00  2.8563E+01
  1.9663E+01  3.4231E+03  6.4523E+02
HC            1247    1.008000    0.040000
  7.0904E+00  1.0184E+01 -1.2682E+00
 -2.7168E+01  6.7493E+00  1.3754E+00
 -3.0743E+03 -1.7609E+02  7.4941E+02
HC            1248    1.008000    0.040000
  7.8129E+00  8.6728E+00 -9.7199E-01
  2.0007E+00 -4.1974E+00 -1.3596E+01
  1.6013E+03 -2.2439E+03 -4.5868E+03
CT            1249   12.011000    0.145000
  5.2873E+00  1.1591E+01  3.5700E+00
  1.0395E+00  5.3556E+00 -1.7442E-01
 -9.7289E+02  1.3611E+03 -4.1871E+03
OH            1250    0.000000   -0.683000
  6.5880E+00  1.1317E+01  3.0993E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1251    1.008000    0.418000
  7.0532E+00  1.1360E+01  3.9207E+00
 -1.0436E+01 -1.2551E+01  6.9497E+00
  8.2083E+02 -1.4023E+03 -7.6787E+02
HC            1252    1.008000    0.040000
  4.7913E+00  1.2394E+01  3.0253E+00
  1.9032E+00  1.1270E+01  7.5863E+00
  1.0430E+03  4.1066E+02 -7.5228E+02
HC            1253    1.008000    0.040000
  5.2671E+00  1.1955E+01  4.5971E+00
  7.9497E+00 -6.4357E+00  4.3452E+00
  2.3019E+02 -2.0471E+03  3.2742E+02
HC            1254    1.008000    0.040000
  4.6323E+00  1.0753E+01  3.3296E+00
  1.9029E+01 -5.7944E+00 -1.2879E+01
  1.1620E+03 -9.0165E+02  2.4805E+03
CT            1255   12.011000    0.145000
  1.2926E+01  1.9169E+00 -1.5399E+01
  4.6522E+00 -1.4469E+00  7.8624E-01
  1.9367E+03 -4.3000E+02  2.2704E+02
OH            1256    0.000000   -0.683000
  1.3388E+01  2.9867E+00 -1.6193E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1257    1.008000    0.418000
  1.4119E+01  2.7657E+00 -1.6749E+01
 -5.9494E+00  1.8051E+01 -1.6096E+01
 -2.3517E+03 -2.9638E+03 -5.1115E+02
HC            1258    1.008000    0.040000
  1.2483E+01  2.3715E+00 -1.4513E+01
  1.0770E+01 -2.3761E+01  1.6171E+01
 -4.6458E+02 -2.2510E+03  1.6757E+02
HC            1259    1.008000    0.040000
  1.3741E+01  1.2944E+00 -1.5029E+01
  1.0976E+01  1.7038E+01  1.9985E+01
  7.5623E+02  1.9947E+03  6.3235E+02
HC            1260    1.008000    0.040000
  1.2210E+01  1.2044E+00 -1.5808E+01
 -1.4605E+01  1.5183E+01  3.9305E+00
 -9.7966E+02  2.9594E+03 -2.1416E+03
CT            1261   12.011000    0.145000
 -4.5201E+00  9.4220E+00 -2.3632E-01
 -3.1139E+00  3.8418E+00  1.8671E+00
  1.0422E+03 -4.7647E+03  2.4613E+03
OH            1262    0.000000   -0.683000
 -3.4293E+00  9.9480E+00  4.8582E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1263    1.008000    0.418000
 -2.9202E+00  1.0382E+01 -1.8181E-01
  1.0060E+01 -1.1371E+01 -6.1407E-02
  1.0075E+03  1.2567E+02  1.1533E+03
HC            1264    1.008000    0.040000
 -5.2974E+00  1.0062E+01 -6.5371E-01
  5.8365E+00  2.7101E+00 -1.7643E+01
  2.6327E+03  1.7807E+03 -3.0986E+02
HC            1265    1.008000    0.040000
 -5.0350E+00  8.7184E+00  4.1783E-01
 -1.8249E+01  8.3931E+00 -4.7032E+00
 -8.8356E+02 -2.8869E+01 -4.8680E+02
HC            1266    1.008000    0.040000
 -4.0590E+00  8.8533E+00 -1.0438E+00
 -7.9971E+00  1.6858E+01 -1.0517E+01
 -1.9896E+03  6.6993E+02 -1.5039E+03
CT            1267   12.011000    0.145000
 -7.4561E+00  1.6658E+00 -1.2435E+01
  6.8867E-01  5.0925E-02 -6.4453E-01
 -4.9507E+02 -1.5405E+03 -1.5127E+03
OH            1268    0.000000   -0.683000
 -6.7110E+00  7.1121E-01 -1.1713E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1269    1.008000    0.418000
 -5.8506E+00  7.4780E-01 -1.2102E+01
 -1.6796E+00  3.5150E+01 -3.6250E+00
 -7.0125E+02  4.2079E+02  1.6452E+03
HC            1270    1.008000    0.040000
 -7.1995E+00  2.6535E+00 -1.2052E+01
  1.3965E+01  4.0606E+00 -1.8538E+01
 -8.0181E+02  7.0506E+02 -2.7414E+03
HC            1271    1.008000    0.040000
 -8.5070E+00  1.4469E+00 -1.2246E+01
 -3.8740E-01  4.0861E+00 -1.8534E+00
 -5.1539E+02  1.1176E+03 -1.3032E+03
HC            1272    1.008000    0.040000
 -7.2683E+00  1.5154E+00 -1.3498E+01
 -2.2911E+01 -1.6890E+01 -3.2168E+00
 -8.1030E+02  1.6390E+03  3.4982E+02
CT            1273   12.011000    0.145000
 -7.4096E+00 -1.3529E+00  1.9023E+01
 -4.0343E+00  1.3472E+00 -1.8049E+00
  1.8953E+03  2.3259E+03 -2.1866E+03
OH            1274    0.000000   -0.683000
 -7.4746E+00 -3.0399E-01  1.9964E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1275    1.008000    0.418000
 -7.4662E+00 -7.2985E-01 -2.0093E+01
 -3.1438E+01  1.3962E+01  8.8570E+00
 -2.2659E+03  2.3426E+03  1.7244E+02
HC            1276    1.008000    0.040000
 -7.0746E+00 -2.2902E+00  1.9468E+01
  7.4157E+00  4.2456E+00 -3.9982E+00
  1.2715E+03  7.7836E+02 -2.2038E-01
HC            1277    1.008000    0.040000
 -6.6940E+00 -1.0256E+00  1.8269E+01
 -6.6036E+00 -1.1464E+01 -1.0118E+01
  1.0846E+03 -1.6706E+03  1.1621E+02
HC            1278    1.008000    0.040000
 -8.2678E+00 -1.5979E+00  1.8398E+01
 -4.1343E+00  8.3100E+00 -4.4836E+00
 -2.0800E+03  2.4596E+03  2.0751E+03
CT            1279   12.011000    0.145000
  5.6425E-02 -8.7668E+00 -2.9475E+00
 -9.5861E+00 -5.6753E-01 -4.0052E+00
  1.8706E+03 -5.5418E+03 -1.0586E+03
OH            1280    0.000000   -0.683000
  5.9559E-01 -8.5818E+00 -4.2371E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1281    1.008000    0.418000
  6.9272E-02 -7.9566E+00 -4.7117E+00
 -1.2630E+01 -2.9315E+01 -2.8461E+01
  1.1299E+03 -1.6485E+03  2.4993E+02
HC            1282    1.008000    0.040000
 -8.9454E-01 -9.2917E+00 -3.0387E+00
 -2.9587E+01  2.5356E+01  3.0521E+01
 -2.5100E+03  6.1845E+03  2.2584E+03
HC            1283    1.008000    0.040000
  1.5289E-01 -7.8502E+00 -2.3657E+00
 -1.6889E+01 -1.5357E+01  2.2153E+01
 -4.9075E+03 -1.1485E+03  5.1256E+02
HC            1284    1.008000    0.040000
  5.5679E-01 -9.4938E+00 -2.3077E+00
  2.4035E-01  1.9363E+01  1.2134E+01
  3.0605E+03  1.4995E+03 -1.0283E+03
CT            1285   12.011000    0.145000
 -1.4355E+01  1.2613E+01  1.2685E+01
  8.3053E+00 -5.0674E+00 -4.0194E-01
 -3.8439E+03 -5.0505E+03 -1.4695E+03
OH            1286    0.000000   -0.683000
 -1.4576E+01  1.2166E+01  1.4004E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1287    1.008000    0.418000
 -1.3958E+01  1.1468E+01  1.4161E+01
  4.6382E+00  1.7319E+00 -9.8058E+00
  4.4906E+02  1.2608E+03  2.4535E+03
HC            1288    1.008000    0.040000
 -1.4323E+01  1.1650E+01  1.2176E+01
  4.0406E+01 -8.6760E-01 -8.4928E+00
  1.4929E+03  1.8111E+03 -2.6680E+03
HC            1289    1.008000    0.040000
 -1.3467E+01  1.3201E+01  1.2453E+01
 -4.4221E+00  1.9404E+01  9.2483E+00
 -7.3860E+02 -5.3017E+02  1.4410E+03
HC            1290    1.008000    0.040000
 -1.5266E+01  1.3094E+01  1.2330E+01
  8.9758E+00 -2.1233E+01 -2.6705E+01
  1.9658E+03  1.3926E+03 -6.0743E+02
CT            1291   12.011000    0.145000
  1.1656E+01  1.7333E+00  1.5732E-01
  5.0088E+00  2.6933E+00  2.2372E-01
 -2.3025E+03  3.5648E+01 -1.6665E+03
OH            1292    0.000000   -0.683000
  1.2164E+01  8.5882E-01 -8.2535E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1293    1.008000    0.418000
  1.1750E+01  9.8659E-01 -1.6655E+00
 -1.5961E+01  2.0785E+01  1.0077E+01
  2.4583E+03  4.8207E+03  2.3711E+02
HC            1294    1.008000    0.040000
  1.1598E+01  1.0683E+00  1.0189E+00
 -4.6273E+00  1.2239E+01  7.2064E+00
  6.4109E+02  3.4793E+03  2.4843E+03
HC            1295    1.008000    0.040000
  1.0646E+01  2.1048E+00 -1.2807E-02
  8.5829E-01 -7.2490E+00  2.4589E+00
 -4.5190E+02 -1.3561E+03 -1.1119E+03
HC            1296    1.008000    0.040000
  1.2322E+01  2.5934E+00  2.2838E-01
  1.1089E+01 -1.9945E+00  8.3129E-01
  2.2176E+02 -5.4185E+02  1.9479E+03
CT            1297   12.011000    0.145000
 -1.2330E+01  1.7660E+01 -5.3002E+00
 -5.9945E+00 -7.9683E-01 -5.8158E+00
 -2.1427E+03  8.0658E+02  1.5697E+03
OH            1298    0.000000   -0.683000
 -1.2327E+01  1.9058E+01 -5.4829E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1299    1.008000    0.418000
 -1.3159E+01  1.9330E+01 -5.1263E+00
  2.0648E+00  2.1444E+01 -9.9390E+00
  1.3533E+03  2.4116E+03  2.6767E+02
HC            1300    1.008000    0.040000
 -1.1261E+01  1.7452E+01 -5.2953E+00
 -3.9960E+00  8.8633E+00  2.4129E+00
 -1.2185E+03 -3.6434E+03  4.9540E+02
HC            1301    1.008000    0.040000
 -1.2929E+01  1.7125E+01 -6.0379E+00
  3.6098E+00 -1.2007E+01 -5.7757E+00
  2.5386E+03 -4.9770E+02 -1.5133E+03
HC            1302    1.008000    0.040000
 -1.2813E+01  1.7515E+01 -4.3340E+00
  2.4947E+01  4.3220E+00  1.1760E+01
  3.3799E+03 -1.4073E+03  7.8140E+02
CT            1303   12.011000    0.145000
 -1.3852E+01  1.3453E+01 -6.8395E+00
 -2.0134E+00 -2.0510E+00  1.3833E+00
  1.1744E+03  5.3241E+02 -3.1524E+03
OH            1304    0.000000   -0.683000
 -1.2791E+01  1.2546E+01 -6.6464E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1305    1.008000    0.418000
 -1.2865E+01  1.2026E+01 -5.8609E+00
  1.5133E+01 -1.7764E+01 -9.5096E+00
 -2.1488E+03 -2.6947E+01 -1.1597E+03
HC            1306    1.008000    0.040000
 -1.3574E+01  1.3880E+01 -7.8028E+00
  1.5701E+01  1.4560E+01  1.3116E+01
 -1.4387E+03  2.3971E+03  1.0043E+03
HC            1307    1.008000    0.040000
 -1.3737E+01  1.4210E+01 -6.0641E+00
 -5.4892E+00  8.6178E+00 -8.2375E+00
 -3.0792E+03  8.8439E+02 -7.9477E+02
HC            1308    1.008000    0.040000
 -1.4807E+01  1.2935E+01 -6.9309E+00
 -6.2142E+00  5.3570E+00  2.4830E+00
 -8.4006E+02  1.3604E+03  2.3817E+03
CT            1309   12.011000    0.145000
  6.6163E-01  1.2728E+00 -1.0175E+01
  2.9773E+00  2.3210E+00 -2.4090E+00
  9.1008E+02  6.3378E+02 -4.1213E+02
OH            1310    0.000000   -0.683000
  1.6980E+00  4.6416E-01 -9.6652E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1311    1.008000    0.418000
  1.3625E+00 -4.1827E-01 -9.6232E+00
  1.9853E+01 -8.1565E+00 -1.7290E+00
  1.7640E+03 -1.2628E+02  2.7758E+03
HC            1312    1.008000    0.040000
  7.8320E-01  2.2817E+00 -9.7812E+00
  9.3726E+00  2.4828E+00 -4.6792E+00
 -3.6729E+01  4.3998E+01 -9.9925E+01
HC            1313    1.008000    0.040000
 -3.4881E-01  9.3831E-01 -9.9403E+00
 -6.2712E-01  4.7450E+00 -1.3819E+01
  6.4831E+02 -6.8591E+02  5.4483E+02
HC            1314    1.008000    0.040000
  7.6392E-01  1.2737E+00 -1.1261E+01
  1.1535E+01 -9.8013E+00 -1.8161E+00
 -6.5089E+02  4.9170E+02  1.4561E+02
CT            1315   12.011000    0.145000
  1.5513E+01 -1.9968E+01  5.5932E+00
 -1.3726E+00  3.9864E+00 -4.2915E+00
 -1.9472E+02  3.9778E+02  3.3792E+03
OH            1316    0.000000   -0.683000
  1.4154E+01 -2.0328E+01  5.7015E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1317    1.008000    0.418000
  1.3919E+01  2.0344E+01  4.8153E+00
 -1.9427E+01  2.9412E+00  3.9580E+00
 -2.4477E+03  8.1728E+02  6.7626E+02
HC            1318    1.008000    0.040000
  1.5771E+01 -1.9338E+01  6.4446E+00
 -1.1998E+01 -2.3037E+01  2.0641E+01
 -4.0349E+02  1.9268E+02 -1.6932E+03
HC            1319    1.008000    0.040000
  1.5724E+01 -1.9551E+01  4.6083E+00
 -2.7578E+00 -2.2315E+01 -1.6573E+01
  5.1836E+02 -7.0193E+02  9.0917E+02
HC            1320    1.008000    0.040000
  1.6179E+01  2.0088E+01  5.7709E+00
  1.6127E+01  1.5052E+01 -1.4353E+01
 -2.6510E+02 -1.3530E+02 -2.2331E+03
CT            1321   12.011000    0.145000
 -6.4833E+00  6.9600E+00  1.3991E+01
 -5.4315E-01  2.5203E+00 -9.7170E-01
 -1.2551E+03 -1.4686E+03 -2.4119E+03
OH            1322    0.000000   -0.683000
 -7.7424E+00  6.9301E+00  1.4625E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1323    1.008000    0.418000
 -7.9143E+00  6.0773E+00  1.4994E+01
 -6.0636E+00  9.7339E+00  2.1250E+01
  1.9427E+03  9.0740E+02  1.7362E+03
HC            1324    1.008000    0.040000
 -6.4434E+00  7.8306E+00  1.3336E+01
  2.2717E+01 -1.5496E+00 -5.8555E+00
  2.9685E+03  1.7953E+03  3.2197E+03
HC            1325    1.008000    0.040000
 -6.3290E+00  6.2158E+00  1.3210E+01
 -1.2502E+01  1.5167E+01 -1.6061E+01
 -1.9882E+03 -1.4701E+03  1.5195E+03
HC            1326    1.008000    0.040000
 -5.6640E+00  6.8526E+00  1.4702E+01
 -8.2288E+00 -6.0614E+00  6.8629E+00
 -3.6305E+02  2.0621E+03  5.2806E+01
CT            1327   12.011000    0.145000
  1.9144E+01 -1.2889E+01 -2.0185E+01
  1.0702E+00  1.3752E+00  4.5649E+00
  4.4839E+03 -1.8725E+03 -2.1045E+03
OH            1328    0.000000   -0.683000
  1.8880E+01 -1.4199E+01 -1.9734E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1329    1.008000    0.418000
  1.8526E+01 -1.4676E+01  2.0431E+01
 -1.6393E+01  1.9713E+01 -5.8433E+00
 -2.4008E+03  3.1320E+03 -4.5036E+02
HC            1330    1.008000    0.040000
  1.8241E+01 -1.2333E+01 -2.0437E+01
 -1.3463E-01 -1.5569E+00  2.3587E+00
  5.6899E+02  8.5492E+02  1.5692E+03
HC            1331    1.008000    0.040000
  1.9729E+01 -1.2978E+01  1.9800E+01
 -6.5143E+00  1.7388E+01 -2.2424E+00
  4.8465E+01  1.2634E+03 -2.3562E+02
HC            1332    1.008000    0.040000
  1.9754E+01 -1.2528E+01 -1.9357E+01
 -2.1046E+01  6.8992E+00  1.9350E+01
 -1.3939E+03  3.8385E+03 -1.3520E+03
CT            1333   12.011000    0.145000
  6.6175E+00 -1.6630E+01  6.4788E+00
  1.7944E+00  1.6106E-01  2.7838E-01
 -1.4966E+03 -3.1038E+02 -4.2599E+02
OH            1334    0.000000   -0.683000
  6.5954E+00 -1.7790E+01  7.2804E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1335    1.008000    0.418000
  7.3231E+00 -1.8332E+01  7.0162E+00
  5.7828E-01 -3.7415E+00  8.9100E+00
 -5.7415E+02 -3.2413E+02 -4.9967E+02
HC            1336    1.008000    0.040000
  6.0336E+00 -1.5911E+01  7.0528E+00
  1.8496E+01  2.2607E+01 -9.3424E+00
  1.7133E+03  2.4559E+03 -2.1193E+03
HC            1337    1.008000    0.040000
  6.1430E+00 -1.6734E+01  5.5030E+00
 -6.8587E+00  3.1330E+01  9.4536E-02
  2.9516E+02 -1.0350E+02  8.7636E+02
HC            1338    1.008000    0.040000
  7.6474E+00 -1.6320E+01  6.3019E+00
 -1.9334E+00  8.7126E+00 -7.2620E+00
 -6.9828E+02  2.1622E+03  1.0720E+03
CT            1339   12.011000    0.145000
 -1.9663E+01  4.6269E+00 -2.9356E-01
 -2.8235E+00 -2.0957E+00  2.5076E+00
  2.5666E+03 -7.1555E+02  7.8261E+02
OH            1340    0.000000   -0.683000
 -1.9573E+01  5.6591E+00  6.6281E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1341    1.008000    0.418000
 -1.8747E+01  5.5876E+00  1.1169E+00
 -3.5089E+00  3.0983E+00  7.0256E+00
  2.5115E+01 -6.6879E+02 -3.5257E+02
HC            1342    1.008000    0.040000
 -1.8948E+01  4.8295E+00 -1.0905E+00
 -1.3691E+01  4.0014E+01  1.0813E+00
 -2.7849E+03  1.9203E+03 -2.8201E+02
HC            1343    1.008000    0.040000
  2.0217E+01  4.5242E+00 -6.6376E-01
  4.8517E+00 -8.2970E+00 -1.8359E+01
  1.2470E+03  4.9134E+02 -1.9541E+03
HC            1344    1.008000    0.040000
 -1.9357E+01  3.6358E+00  4.1239E-02
  6.0223E+00  8.1104E-01  3.2864E+00
 -9.6552E+02  6.7688E+02  2.9313E+03
CT            1345   12.011000    0.145000
  1.9360E+01  1.3809E+01 -1.0107E+01
 -2.3531E-01  1.6428E+00  1.2588E+00
 -2.6444E+03 -4.1065E+03  3.9750E+03
OH            1346    0.000000   -0.683000
  1.8094E+01  1.4059E+01 -1.0674E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1347    1.008000    0.418000
  1.7642E+01  1.3256E+01 -1.0467E+01
  1.3471E+00  1.3034E+00  8.3717E+00
 -3.5561E+03  1.8878E+03 -1.2015E+03
HC            1348    1.008000    0.040000
  1.9601E+01  1.2754E+01 -1.0238E+01
  2.7834E+01  6.2558E+00  9.1094E+00
  2.4027E+03  1.1692E+03 -1.9916E+03
HC            1349    1.008000    0.040000
  1.9149E+01  1.3799E+01 -9.0371E+00
 -5.8555E+00 -9.3927E-01  1.6813E-01
  1.9529E+03  1.8912E+03  6.5668E+02
HC            1350    1.008000    0.040000
  2.0222E+01  1.4408E+01 -1.0398E+01
 -8.7248E-01 -7.5502E+00 -2.1671E+01
 -1.7808E+03  4.7543E+02 -6.8364E+02
CT            1351   12.011000    0.145000
  4.0234E+00  6.8133E+00  8.1394E+00
 -2.2123E+00  3.7068E+00  2.6020E+00
  1.2659E+03 -2.6141E+03 -5.6707E+02
OH            1352    0.000000   -0.683000
  5.2704E+00  7.1568E+00  8.7005E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1353    1.008000    0.418000
  5.0520E+00  6.7225E+00  9.5108E+00
 -3.8477E+01  9.3385E+00 -3.4184E+00
  4.8316E+03 -3.0332E+01 -1.6335E+03
HC            1354    1.008000    0.040000
  3.5835E+00  6.0038E+00  8.7220E+00
 -2.5591E+01  8.9225E+00 -6.6680E+00
 -2.2367E+03  2.1650E+03  7.2723E+02
HC            1355    1.008000    0.040000
  4.1303E+00  6.2892E+00  7.1896E+00
  1.4334E+01  1.8557E+01 -4.3002E+00
  2.6173E+02  3.7518E+03 -1.9194E+03
HC            1356    1.008000    0.040000
  3.3714E+00  7.6860E+00  8.1776E+00
 -1.0730E+01 -2.6057E+00  4.4870E+00
 -1.3482E+03 -1.3039E+03 -1.8187E+03
CT            1357   12.011000    0.145000
  1.4215E+01  5.4921E+00  8.1868E+00
 -5.0370E+00  1.6084E+00  6.2337E+00
 -2.2085E+03  3.1612E+03  5.0533E+02
OH            1358    0.000000   -0.683000
  1.3120E+01  5.0840E+00  7.3970E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1359    1.008000    0.418000
  1.2841E+01  4.2771E+00  7.8019E+00
 -1.4033E+01  6.6409E+00  4.1998E+00
 -4.3597E+03  2.9087E+02 -2.6875E+03
HC            1360    1.008000    0.040000
  1.3831E+01  6.1483E+00  8.9678E+00
 -3.1388E+01 -9.2648E-01 -3.5718E+00
 -1.1459E+03 -2.2599E+03  7.6927E+02
HC            1361    1.008000    0.040000
  1.4908E+01  6.1733E+00  7.6928E+00
 -7.8438E+00 -5.1281E+00 -7.4808E+00
 -1.5299E+02 -1.8357E+03 -2.6861E+03
HC            1362    1.008000    0.040000
  1.4761E+01  4.6269E+00  8.5628E+00
 -3.0809E-01 -1.0696E+01 -2.5759E+01
 -3.9007E+02  8.8417E+02 -1.1432E+03
CT            1363   12.011000    0.145000
 -3.0451E+00  1.0234E+01  1.3232E+01
 -3.7981E+00 -3.5597E-02  6.2584E+00
 -1.5619E+02 -4.0586E+02  6.5961E+02
OH            1364    0.000000   -0.683000
 -2.6786E+00  8.8879E+00  1.3438E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1365    1.008000    0.418000
 -3.1544E+00  8.6821E+00  1.4228E+01
  1.1796E+01  1.5105E+01  1.1677E+01
  2.4576E+03  5.0588E+02  1.2066E+03
HC            1366    1.008000    0.040000
 -2.3740E+00  1.0696E+01  1.2508E+01
 -2.2113E+00 -1.1692E+01  4.5729E-02
  5.2754E+01  1.9928E+00  3.9969E+02
HC            1367    1.008000    0.040000
 -2.9959E+00  1.0730E+01  1.4201E+01
  1.3443E+00 -2.2899E+01  1.8436E+01
 -2.1032E+02  2.1258E+02 -8.6207E+02
HC            1368    1.008000    0.040000
 -4.0651E+00  1.0262E+01  1.2849E+01
 -5.4873E+00  1.4382E+01  1.1219E+01
  9.0052E+01  1.3523E+03  2.9455E+02
CT            1369   12.011000    0.145000
 -1.1604E+01  1.7667E+01 -1.0536E+00
 -5.2992E+00 -2.3604E+00  5.5075E+00
  1.5229E+03 -9.6905E+02  1.5416E+02
OH            1370    0.000000   -0.683000
 -1.1785E+01  1.6458E+01 -1.7567E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1371    1.008000    0.418000
 -1.1158E+01  1.6657E+01 -2.4354E+00
 -5.9713E-01  7.8868E+00  1.6580E+00
 -2.2637E+02 -5.3173E+03 -1.3197E+03
HC            1372    1.008000    0.040000
 -1.2346E+01  1.7999E+01 -3.2651E-01
  2.1778E+01  1.2557E+01  2.8349E+01
  5.6537E+02 -1.6017E+03 -1.1065E+03
HC            1373    1.008000    0.040000
 -1.1358E+01  1.8467E+01 -1.7515E+00
  2.1043E+01 -1.1699E+01  2.9503E+00
 -2.3885E+03 -8.9153E+02 -3.1314E+02
HC            1374    1.008000    0.040000
 -1.0670E+01  1.7749E+01 -4.9766E-01
 -1.2339E+01  3.7539E+01  1.4581E+01
 -1.9395E+03 -1.4507E+03  2.6763E+02
CT            1375   12.011000    0.145000
 -1.4896E-01  3.8783E-01  1.5339E+01
 -2.6620E+00  1.8203E+00 -3.3338E+00
  1.8000E+03 -1.7644E+03 -1.6866E+03
OH            1376    0.000000   -0.683000
 -1.0099E+00 -7.2550E-01  1.5425E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1377    1.008000    0.418000
 -1.8705E+00 -3.8735E-01  1.5230E+01
 -1.3702E+01 -3.2258E+01 -1.7863E+00
  1.8516E+02 -1.4569E+03  2.2679E+03
HC            1378    1.008000    0.040000
  8.3460E-01 -1.5493E-02  1.5098E+01
  8.5838E-01 -4.0644E-01  1.3515E+01
  7.4125E+02  1.0085E+03  1.2426E+03
HC            1379    1.008000    0.040000
 -7.4571E-02  9.3716E-01  1.6277E+01
  1.6042E+00 -1.1743E+01  4.5486E+00
 -1.9573E+02 -1.0845E+03  2.0737E+02
HC            1380    1.008000    0.040000
 -4.0205E-01  1.1093E+00  1.4562E+01
 -2.5314E+01 -2.7591E+00 -9.0222E-01
 -1.9946E+03 -1.3679E+03 -1.3832E+02
CT            1381   12.011000    0.145000
 -6.3207E-01  1.1104E+01 -1.6784E+00
 -1.3087E+00  5.5775E+00  1.3146E+00
 -4.5957E+02 -9.4835E+02  3.1698E+03
OH            1382    0.000000   -0.683000
 -2.0030E+00  1.0812E+01 -1.8322E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1383    1.008000    0.418000
 -2.1976E+00  1.0665E+01 -2.7451E+00
 -1.5624E+01  2.7096E+01 -2.1204E+00
 -9.9942E+02  3.1481E+03  3.7535E+02
HC            1384    1.008000    0.040000
 -1.5586E-02  1.0307E+01 -2.0956E+00
 -7.7024E+00  1.1970E+01 -2.1813E+01
 -3.3758E+02  1.6262E+03 -2.6581E+03
HC            1385    1.008000    0.040000
 -3.1597E-01  1.1060E+01 -6.3612E-01
 -2.4197E+01 -1.2238E+01  8.3684E+00
 -2.8853E+03  1.0416E+03  4.7561E+02
HC            1386    1.008000    0.040000
 -3.4346E-01  1.2105E+01 -1.9992E+00
  2.2517E+01  7.8533E+00  2.6142E+01
 -3.2831E+02 -2.0592E+03 -1.6513E+03
CT            1387   12.011000    0.145000
  1.3910E+01  1.6483E+01 -1.4577E+01
  8.7343E-01  1.4569E+00 -3.9537E-01
 -1.8723E+03 -1.3267E+03 -7.7173E+03
OH            1388    0.000000   -0.683000
  1.2725E+01  1.7232E+01 -1.4425E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1389    1.008000    0.418000
  1.2840E+01  1.7636E+01 -1.3578E+01
  2.0623E+01  9.0119E+00 -6.4445E+00
  3.6831E-01  8.6130E+02 -9.9997E+02
HC            1390    1.008000    0.040000
  1.4906E+01  1.6879E+01 -1.4775E+01
  2.4122E+00  1.2399E+01  2.5345E+01
 -2.3421E+03  6.7734E+03  3.3211E+03
HC            1391    1.008000    0.040000
  1.3832E+01  1.6060E+01 -1.5579E+01
 -4.7270E+00  4.8424E+00 -1.4337E+00
 -3.0049E+03 -1.1184E+03  1.4129E+01
HC            1392    1.008000    0.040000
  1.4176E+01  1.5631E+01 -1.3951E+01
 -7.8910E+00  7.4526E+00  1.1914E+01
 -4.8663E+03  1.0498E+03  2.9857E+03
CT            1393   12.011000    0.145000
  4.4275E+00 -1.8106E+01 -1.3021E+01
  2.1211E+00 -3.7788E+00 -7.2522E+00
  1.1154E+03 -8.6399E+02 -8.1156E+02
OH            1394    0.000000   -0.683000
  5.6828E+00 -1.7465E+01 -1.2978E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1395    1.008000    0.418000
  5.4281E+00 -1.6608E+01 -1.2670E+01
 -1.2599E+01 -3.0176E+00 -1.4731E+00
  3.2173E+03  2.4045E+02  8.1184E+02
HC            1396    1.008000    0.040000
  4.2288E+00 -1.8869E+01 -1.3773E+01
 -1.6773E+01 -4.2313E-01 -6.1597E+00
  2.8918E+03  3.5762E+02 -4.5190E+02
HC            1397    1.008000    0.040000
  3.5687E+00 -1.7445E+01 -1.3140E+01
 -6.9044E-01 -3.1543E+00  1.3030E+01
  1.6407E+03  1.4446E+03  5.3394E+02
HC            1398    1.008000    0.040000
  4.2319E+00 -1.8617E+01 -1.2079E+01
  7.4204E-01  5.6050E+00 -2.3190E+00
  1.4087E+03  1.1079E+03  7.7284E+02
CT            1399   12.011000    0.145000
 -1.7749E+01  5.1299E-01  8.2228E+00
  3.0963E-02  7.0789E-02  1.4302E+00
 -5.9732E+03 -2.3247E+03 -4.0479E+02
OH            1400    0.000000   -0.683000
 -1.7246E+01 -8.0326E-01  8.2756E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1401    1.008000    0.418000
 -1.6760E+01 -1.0145E+00  7.4931E+00
  7.0441E+00 -7.1784E+00  6.1347E+00
  5.3428E+02  2.5592E+03 -8.5474E+01
HC            1402    1.008000    0.040000
 -1.8588E+01  6.2518E-01  8.9087E+00
  5.8115E-01 -4.0006E+00  2.7969E+00
  1.2719E+03 -7.8486E+02  2.2185E+03
HC            1403    1.008000    0.040000
 -1.8355E+01  6.1581E-01  7.3227E+00
  7.6808E+00  1.6361E+00 -3.6393E+00
  3.2093E+03  6.0291E+02 -2.4867E+03
HC            1404    1.008000    0.040000
 -1.7102E+01  1.3732E+00  8.3949E+00
  1.0834E+01 -3.8766E+00 -1.6752E+01
  2.2901E+03 -2.1892E+03 -1.8085E+03
CT            1405   12.011000    0.145000
 -1.7353E+01 -1.4851E+01  1.7877E+01
  4.7834E-01 -4.1363E-01 -6.1449E+00
  1.0797E+03  3.0174E+02 -7.6581E+02
OH            1406    0.000000   -0.683000
 -1.6526E+01 -1.5984E+01  1.8023E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1407    1.008000    0.418000
 -1.6447E+01 -1.6419E+01  1.7188E+01
 -2.2988E+01 -1.1122E+01  2.8156E+00
 -3.8976E+03  9.7674E+02 -4.1657E+02
HC            1408    1.008000    0.040000
 -1.8366E+01 -1.4857E+01  1.8279E+01
 -7.4387E-01  9.4171E+00 -8.8003E+00
 -2.7998E+02 -3.2421E+03 -1.6511E+03
HC            1409    1.008000    0.040000
 -1.7324E+01 -1.4398E+01  1.6886E+01
  2.8372E+00  1.6931E+01  1.4890E+00
 -8.6622E+02 -9.4769E+02 -8.4895E+01
HC            1410    1.008000    0.040000
 -1.6920E+01 -1.4076E+01  1.8509E+01
  7.2204E+00 -5.8490E+00 -3.9714E+00
  2.4001E+03 -4.1584E+02 -1.1542E+03
CT            1411   12.011000    0.145000
  1.3195E+01  6.5609E+00 -4.7141E+00
  3.4568E+00 -7.0236E+00  4.1384E+00
  3.2102E+03  3.1745E+02  5.0848E+03
OH            1412    0.000000   -0.683000
  1.4431E+01  6.8075E+00 -5.3468E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1413    1.008000    0.418000
  1.4943E+01  6.0248E+00 -5.2113E+00
 -1.4007E+01 -1.3186E+01 -1.8096E+01
 -6.0697E+02  5.9339E+02  3.5119E+02
HC            1414    1.008000    0.040000
  1.3447E+01  6.5969E+00 -3.6543E+00
  1.4156E+01 -7.4345E+00  1.7217E+00
 -5.7194E+02 -7.6045E+02  5.0297E+02
HC            1415    1.008000    0.040000
  1.2772E+01  5.5718E+00 -4.8890E+00
 -1.3973E+01 -7.7035E-01  8.8642E+00
 -1.1948E+03  1.2154E+03 -1.1614E+03
HC            1416    1.008000    0.040000
  1.2500E+01  7.3833E+00 -4.8842E+00
  8.6434E+00 -6.3929E+00 -1.6731E+01
 -5.0658E+02 -1.5603E+03 -2.5263E+03
CT            1417   12.011000    0.145000
  1.5126E+01 -6.1893E+00  6.9892E-02
  1.6541E+00  8.1333E-01  9.2850E-02
 -2.8311E+03 -4.1194E+03 -3.6608E+03
OH            1418    0.000000   -0.683000
  1.5599E+01 -7.2475E+00  8.7261E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1419    1.008000    0.418000
  1.5237E+01 -8.0808E+00  6.1302E-01
 -3.9825E+00  4.7966E+00 -1.0405E+01
 -9.3888E+02  1.3377E+03 -2.9552E+03
HC            1420    1.008000    0.040000
  1.5921E+01 -6.1067E+00 -6.7133E-01
  1.8554E+01 -2.7782E+00  1.7026E+01
 -1.7926E+03  2.6547E+03 -5.8819E+02
HC            1421    1.008000    0.040000
  1.4840E+01 -5.2613E+00  5.6482E-01
  6.4994E+00  6.5306E+00 -7.5911E+00
  2.4099E+03  1.0800E+02  2.0203E+02
HC            1422    1.008000    0.040000
  1.4223E+01 -6.6126E+00 -3.7053E-01
  9.5555E+00  4.6182E+00 -2.0939E+01
  3.8501E+01  1.5317E+03 -1.8397E+03
CT            1423   12.011000    0.145000
  1.0296E+01  9.4150E+00 -1.9176E+01
 -2.4232E+00 -2.9553E+00 -3.0987E+00
 -1.0407E+03  1.8148E+03 -3.5758E+03
OH            1424    0.000000   -0.683000
  1.1518E+01  9.0598E+00 -1.9785E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1425    1.008000    0.418000
  1.1257E+01  8.4997E+00  2.0400E+01
 -2.3239E+01  1.6390E+00  6.3897E+00
 -1.1559E+03  3.5936E+02  7.8766E+02
HC            1426    1.008000    0.040000
  9.5915E+00  9.4351E+00 -2.0008E+01
 -1.0059E+00  4.3423E+00 -4.1922E+00
 -1.7636E+03 -7.7508E+02  1.2340E+03
HC            1427    1.008000    0.040000
  1.0396E+01  1.0445E+01 -1.8833E+01
  1.3302E+01 -1.0370E+01  1.6563E+01
 -3.2447E+02 -1.3150E+03  2.8863E+03
HC            1428    1.008000    0.040000
  9.9975E+00  8.6902E+00 -1.8419E+01
 -2.2189E+01 -3.1959E+00 -1.0540E+01
 -9.7284E+02  1.4644E+03  8.1228E+01
CT            1429   12.011000    0.145000
  1.9466E+01 -1.0461E+01  3.3199E+00
 -1.3916E+00 -5.1524E+00  2.2892E+00
 -2.7172E+02 -1.2966E+03  2.6568E+03
OH            1430    0.000000   -0.683000
 -2.0064E+01 -1.0770E+01  3.4424E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1431    1.008000    0.418000
 -2.0095E+01 -1.1581E+01  3.9271E+00
  1.8163E+00 -2.6525E+01 -3.9554E+01
  3.8494E+03  1.6500E+03 -1.5876E+03
HC            1432    1.008000    0.040000
  1.9214E+01 -9.7592E+00  4.1148E+00
  1.5083E-01  2.7337E+01 -2.3734E+01
 -1.6262E+03 -8.4237E+02 -1.7308E+03
HC            1433    1.008000    0.040000
  1.9145E+01 -1.1493E+01  3.4638E+00
 -1.8307E+01 -7.7553E-01 -1.7646E+00
 -5.4055E+03  1.4144E+03 -7.1767E+02
HC            1434    1.008000    0.040000
  1.9147E+01 -1.0060E+01  2.3578E+00
 -4.6073E+00  2.8819E+00  6.6050E+00
  2.4265E+02  4.5539E+02  4.4953E+02
CT            1435   12.011000    0.145000
 -1.9429E-01 -1.7708E+00 -5.5247E+00
  1.6082E+00  1.5363E+00 -3.6858E+00
 -4.3766E+03 -1.7746E+03  3.9744E+03
OH            1436    0.000000   -0.683000
 -2.5265E-01 -3.0637E+00 -6.0841E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1437    1.008000    0.418000
 -3.9975E-01 -3.6075E+00 -5.3253E+00
 -2.1155E+01  1.7502E+01  9.5556E+00
  1.7442E+03 -2.2089E+02 -1.2320E+03
HC            1438    1.008000    0.040000
 -4.4484E-01 -8.7564E-01 -6.0940E+00
 -6.0440E+00 -8.5537E+00 -1.6765E+01
  7.1252E+02 -2.4880E+03 -3.6265E+03
HC            1439    1.008000    0.040000
  6.8502E-01 -1.5292E+00 -4.9276E+00
  1.7186E+00  3.4835E+00 -4.6283E+00
  6.9772E+02 -1.9100E+03 -5.6344E+02
HC            1440    1.008000    0.040000
 -1.0476E+00 -1.8618E+00 -4.8526E+00
 -1.1642E+01 -3.3107E+01 -2.2621E+01
  1.4073E+03  3.2519E+02 -1.4470E+02
CT            1441   12.011000    0.145000
 -2.4817E+00  1.8102E-01 -1.2420E+01
 -1.0592E+00  1.1620E+00 -5.1469E+00
 -1.6892E+02  2.0403E+03 -2.3887E+03
OH            1442    0.000000   -0.683000
 -3.7548E+00  6.5708E-01 -1.2045E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1443    1.008000    0.418000
 -3.6837E+00  1.0723E+00 -1.1199E+01
  1.3999E+00 -2.4761E+01  1.2964E+01
  1.8832E+03  1.3766E+03 -2.0655E+03
HC            1444    1.008000    0.040000
 -2.0803E+00 -5.2275E-01 -1.1691E+01
 -2.4720E+01  4.1332E+00  1.1923E+01
 -2.2889E+03 -1.8535E+03 -2.0354E+03
HC            1445    1.008000    0.040000
 -1.7138E+00  9.2507E-01 -1.2632E+01
 -1.6476E+01  1.4253E+01 -1.7728E+01
 -2.3215E+03  2.8073E+03  3.0597E+03
HC            1446    1.008000    0.040000
 -2.7574E+00 -7.9051E-02 -1.3442E+01
 -5.8515E+00  1.5411E+01 -7.7076E+00
  2.7074E+03 -4.9193E+03  1.0047E+03
CT            1447   12.011000    0.145000
 -1.1136E+01 -1.4403E+01  8.3230E+00
  4.3106E+00  9.1768E+00 -1.9042E+00
  4.8521E+01  4.0320E+03 -1.6290E+03
OH            1448    0.000000   -0.683000
 -1.1175E+01 -1.4683E+01  6.9417E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1449    1.008000    0.418000
 -1.1864E+01 -1.4179E+01  6.5365E+00
  5.3918E+00  3.4756E+00 -5.0174E+00
  1.6698E+03  2.2629E+03  9.8181E+00
HC            1450    1.008000    0.040000
 -1.0554E+01 -1.3508E+01  8.5425E+00
  8.3202E+00  4.5778E+00  6.7298E+00
  7.7439E+02 -2.8312E+02 -4.4385E+01
HC            1451    1.008000    0.040000
 -1.0630E+01 -1.5257E+01  8.7741E+00
  2.0629E+00  6.9698E+00 -3.5362E+00
 -2.8721E+03  3.6904E+00  2.3866E+03
HC            1452    1.008000    0.040000
 -1.2144E+01 -1.4128E+01  8.6333E+00
  1.4259E+01  1.3745E+01  3.0044E+01
  8.6930E+02 -3.2679E+03  3.3260E+03
CT            1453   12.011000    0.145000
 -1.0035E+01  1.2836E+01 -1.3549E+01
  7.2332E+00 -1.6936E+00  1.4925E+00
  9.5756E+02  2.1534E+02  4.4350E+02
OH            1454    0.000000   -0.683000
 -1.0045E+01  1.3763E+01 -1.2486E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1455    1.008000    0.418000
 -1.0957E+01  1.3751E+01 -1.2241E+01
 -8.3579E+00 -2.4264E+01 -2.6679E+01
  1.2018E+03 -1.4923E+03 -5.8352E+02
HC            1456    1.008000    0.040000
 -9.2329E+00  1.2845E+01 -1.4288E+01
 -1.6471E+00  1.9891E+01 -8.7620E+00
  9.0284E+02  3.9126E+03  1.5835E+03
HC            1457    1.008000    0.040000
 -1.0952E+01  1.3095E+01 -1.4078E+01
 -7.9242E+00  2.6762E+00  2.8124E+01
 -3.3117E+02 -3.5075E+03  8.1340E+02
HC            1458    1.008000    0.040000
 -1.0019E+01  1.1793E+01 -1.3233E+01
 -1.1831E+01 -2.5422E+00  7.8496E-01
 -3.2521E+03  6.0565E+02  1.6708E+03
CT            1459   12.011000    0.145000
 -1.6125E+01  8.9703E+00  3.2790E+00
 -4.3646E+00 -6.7407E+00  4.0978E-01
  2.3193E+03  1.4947E+03  3.8401E+02
OH            1460    0.000000   -0.683000
 -1.5202E+01  8.3302E+00  2.4271E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1461    1.008000    0.418000
 -1.5367E+01  8.5109E+00  1.5144E+00
  4.4443E+00 -7.2663E+00 -2.3288E+00
  3.4234E+02  3.7957E+03  9.3272E+02
HC            1462    1.008000    0.040000
 -1.6178E+01  8.7493E+00  4.3450E+00
 -2.4116E+00  4.2188E+00  2.9004E+00
  3.0247E+03 -4.1227E+03 -1.0459E+03
HC            1463    1.008000    0.040000
 -1.7180E+01  8.9759E+00  3.0051E+00
 -1.6767E+00  2.7379E+01 -1.4320E+01
  2.0102E+03  9.4839E+02 -2.8476E+03
HC            1464    1.008000    0.040000
 -1.5806E+01  1.0003E+01  3.4219E+00
 -2.2790E+01  1.4237E+00 -1.3260E+01
 -1.6062E+03  9.2284E+02 -3.6186E+03
CT            1465   12.011000    0.145000
 -1.9934E+00 -1.5485E+01  1.9732E+01
  2.8518E+00  3.9270E-01 -8.7040E-01
 -7.1490E+02 -1.5413E+03 -1.9005E+03
OH            1466    0.000000   -0.683000
 -2.3904E+00 -1.4392E+01  1.8935E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1467    1.008000    0.418000
 -1.6672E+00 -1.4276E+01  1.8338E+01
 -1.8839E+01  1.1944E+01 -2.2161E+01
 -1.5934E+03  5.7746E+02 -4.5355E+02
HC            1468    1.008000    0.040000
 -2.8929E+00 -1.5920E+01  2.0168E+01
  4.3532E+00 -5.5525E+00 -3.6032E+00
  1.0826E+03 -4.6014E+02  1.7284E+03
HC            1469    1.008000    0.040000
 -1.2061E+00 -1.5312E+01 -2.0434E+01
 -7.0177E+00 -9.4569E+00  1.2550E+01
 -1.7052E+03  1.2924E+03  8.2522E+02
HC            1470    1.008000    0.040000
 -1.5799E+00 -1.6239E+01  1.9062E+01
 -1.6865E+01 -3.8914E+00 -8.9235E+00
 -1.1297E+03 -6.0895E+02  3.1898E+02
CT            1471   12.011000    0.145000
 -1.5274E+01  1.6782E+01 -1.8008E+01
  6.9658E+00  2.0299E+00  8.5937E-01
  3.3630E+03  1.8208E+03  6.2774E+02
OH            1472    0.000000   -0.683000
 -1.5423E+01  1.7712E+01 -1.9056E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1473    1.008000    0.418000
 -1.5836E+01  1.7259E+01 -1.9775E+01
 -2.4744E+01  9.1933E+00  7.3766E+00
  7.1924E+02  4.7936E+02  3.9838E+02
HC            1474    1.008000    0.040000
 -1.4797E+01  1.5856E+01 -1.8330E+01
 -1.1999E+01  4.3270E+00 -4.0107E+01
 -2.4485E+03  1.1988E+03 -2.4569E+03
HC            1475    1.008000    0.040000
 -1.6224E+01  1.6595E+01 -1.7508E+01
 -2.7364E+00  1.0510E+01 -1.3673E+01
 -2.9182E+02 -4.8978E+02 -1.8361E+03
HC            1476    1.008000    0.040000
 -1.4552E+01  1.7085E+01 -1.7249E+01
  3.1377E+01 -6.6268E+00 -1.7572E+01
 -9.5011E+02  2.7852E+03 -1.3391E+03
CT            1477   12.011000    0.145000
 -1.6868E+01  1.2531E+01  7.9893E-01
 -1.0983E+00  6.0959E+00 -4.1701E+00
  1.2053E+03  4.6255E+02 -3.7579E+01
OH            1478    0.000000   -0.683000
 -1.6593E+01  1.3339E+01  1.9211E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1479    1.008000    0.418000
 -1.7192E+01  1.2927E+01  2.5245E+00
 -5.6809E+00 -4.9527E+00 -8.8002E+00
  7.7762E+02  2.7511E+03  2.1392E+03
HC            1480    1.008000    0.040000
 -1.7838E+01  1.2823E+01  3.9779E-01
  1.8642E+00  2.3112E+01  2.5536E-01
  1.2506E+03  7.4266E+02 -1.5380E+03
HC            1481    1.008000    0.040000
 -1.6922E+01  1.1493E+01  1.1275E+00
  1.4304E+01  1.2877E+01  2.2876E+01
  1.4952E+03  8.7931E+02  1.2557E+02
HC            1482    1.008000    0.040000
 -1.6035E+01  1.2664E+01  1.0872E-01
 -7.9218E+00 -7.5550E+00 -1.5576E+01
 -1.7570E+03 -8.5520E+02 -2.1494E+03
CT            1483   12.011000    0.145000
  1.1055E+01  1.9508E+00  7.5922E+00
  6.3255E+00 -9.0667E+00  1.8169E+00
 -3.7969E+01  3.1530E+02  1.9513E+03
OH            1484    0.000000   -0.683000
  1.2004E+01  2.7587E+00  8.2521E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1485    1.008000    0.418000
  1.2024E+01  2.4781E+00  9.1543E+00
 -9.5570E+00  1.4503E+01  5.0925E+00
 -1.0509E+03 -6.5566E+02 -5.6043E+02
HC            1486    1.008000    0.040000
  1.0081E+01  2.3085E+00  7.9246E+00
  1.0554E+01 -3.0329E+00  7.9997E+00
 -1.1095E+02  1.1115E+03 -1.6926E+03
HC            1487    1.008000    0.040000
  1.0880E+01  8.9693E-01  7.8084E+00
 -3.4681E+01 -4.5535E+00 -1.4881E+00
  3.7293E+03  1.7891E+03  9.0373E+02
HC            1488    1.008000    0.040000
  1.1221E+01  2.0421E+00  6.5188E+00
  2.5605E+01  6.8381E+00  5.5531E+00
 -7.9325E+02  1.2626E+03  7.2663E+02
CT            1489   12.011000    0.145000
 -3.3874E-01 -1.5791E+01  8.4524E+00
 -3.7923E-01 -1.4818E+00 -2.1931E+00
 -4.9891E+02 -2.3584E+03 -3.3258E+03
OH            1490    0.000000   -0.683000
  9.3715E-01 -1.5418E+01  7.9827E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1491    1.008000    0.418000
  1.4262E+00 -1.6215E+01  8.1173E+00
 -8.3386E+00 -1.2280E+01 -3.2800E+01
 -1.3829E+02  7.4145E+02 -2.6110E+03
HC            1492    1.008000    0.040000
 -7.2962E-01 -1.6676E+01  7.9490E+00
 -1.9931E+01  3.8135E+00  2.8215E+00
  1.6269E+03 -4.9129E+02  8.1382E+01
HC            1493    1.008000    0.040000
 -1.1308E+00 -1.5094E+01  8.1803E+00
  1.1456E+01  7.5158E+00 -1.4990E+01
  1.4035E+03  1.8173E+03  2.1288E+03
HC            1494    1.008000    0.040000
 -2.8658E-01 -1.6092E+01  9.4989E+00
 -1.0694E+01 -3.4671E+00 -2.1434E+00
 -1.0228E+03  1.6238E+03  2.0283E+02
CT            1495   12.011000    0.145000
 -7.1121E+00  2.0496E+00 -5.0090E+00
 -4.6863E+00 -4.3705E+00  1.7806E+00
 -9.3254E+02 -1.3510E+03  3.7356E+02
OH            1496    0.000000   -0.683000
 -6.3054E+00  9.9841E-01 -5.4909E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1497    1.008000    0.418000
 -6.5504E+00  2.6242E-01 -4.9512E+00
 -4.8234E+00  9.3874E+00  1.1044E+01
  7.1597E+02  6.6162E+02  8.7720E+02
HC            1498    1.008000    0.040000
 -7.1787E+00  3.0343E+00 -5.4718E+00
 -1.2784E+01  5.6167E+00  2.2877E+01
  2.0966E+03 -1.9199E+03 -2.0543E+03
HC            1499    1.008000    0.040000
 -6.8069E+00  2.2875E+00 -3.9900E+00
 -2.8261E+01 -7.8486E+00  1.0281E+01
 -2.2815E+03 -9.6180E+02  4.7511E+02
HC            1500    1.008000    0.040000
 -8.1116E+00  1.6243E+00 -5.1002E+00
  4.2482E-01 -1.3168E+01 -1.9154E+01
 -1.1827E+02  1.3856E+03  2.3240E+03
CT            1501   12.011000    0.145000
 -1.0769E+01 -8.5187E+00  1.2800E+01
 -2.7291E+00 -1.6831E+00 -4.6028E+00
  1.9700E+03  1.0368E+03  1.2209E+03
OH            1502    0.000000   -0.683000
 -9.9047E+00 -9.6284E+00  1.2700E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1503    1.008000    0.418000
 -1.0511E+01 -1.0288E+01  1.3000E+01
  1.4749E+01 -5.6968E+00  1.9336E+01
  6.1874E+03 -4.9512E+03  9.1891E+02
HC            1504    1.008000    0.040000
 -1.1773E+01 -8.8603E+00  1.2549E+01
 -3.0004E+00 -6.3699E+00  2.5853E+00
 -4.6288E+02  4.7223E+02  2.2165E+03
HC            1505    1.008000    0.040000
 -1.0581E+01 -7.6039E+00  1.2238E+01
  1.0343E+01 -1.9330E+00 -9.7221E-01
  2.9375E+03 -1.1886E+03 -9.1451E+02
HC            1506    1.008000    0.040000
 -1.0563E+01 -8.2806E+00  1.3843E+01
  9.0750E+00 -5.8336E+00 -5.8365E+00
 -3.9550E+03  1.1484E+03  2.8299E+02
CT            1507   12.011000    0.145000
 -5.2501E+00  1.9675E+01  4.4773E-02
 -6.8466E+00  3.4620E+00  6.6926E+00
  2.8496E+03  1.1040E+03 -1.3708E+03
OH            1508    0.000000   -0.683000
 -4.2706E+00  1.9624E+01  1.0577E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1509    1.008000    0.418000
 -3.4704E+00  1.9957E+01  6.8154E-01
 -1.5659E+00  7.2903E+00  2.9590E+00
 -1.6415E+03 -3.2839E+02 -3.4273E+03
HC            1510    1.008000    0.040000
 -4.7416E+00  1.9232E+01 -8.1198E-01
 -4.7916E+00  1.9846E+01 -9.2953E-01
 -2.6334E+03 -8.7792E+02 -8.3106E+02
HC            1511    1.008000    0.040000
 -5.3142E+00 -2.0158E+01 -1.6524E-01
  6.5564E+00  5.1545E+00  1.0279E+01
 -2.6521E+03 -6.0546E+02 -9.3781E+02
HC            1512    1.008000    0.040000
 -6.1691E+00  1.9169E+01  3.4041E-01
 -4.7048E+00 -6.3563E+00 -2.8093E+00
 -2.2319E+02  6.0189E+02 -1.2766E+03
CT            1513   12.011000    0.145000
  1.1011E+01 -6.6973E+00  1.7800E+01
 -1.9900E+00 -2.2047E+00  1.1001E+00
 -1.2526E+03 -2.5089E+03 -8.9429E+02
OH            1514    0.000000   -0.683000
  1.2108E+01 -7.4493E+00  1.8268E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1515    1.008000    0.418000
  1.1833E+01 -7.7997E+00  1.9102E+01
 -8.5572E+00 -1.3672E+01 -8.1809E+00
 -2.1234E+03 -1.5825E+03 -1.5332E+03
HC            1516    1.008000    0.040000
  1.1154E+01 -5.8827E+00  1.7090E+01
 -2.4297E+01  1.0507E+01  1.0159E+01
  2.4504E+03 -1.2901E+03  6.3738E+02
HC            1517    1.008000    0.040000
  1.0365E+01 -6.2442E+00  1.8552E+01
  3.4118E+00 -1.2124E+00  5.2033E+00
  2.2617E+03 -3.4644E+01  1.8750E+03
HC            1518    1.008000    0.040000
  1.0337E+01 -7.4048E+00  1.7317E+01
  9.6212E+00 -1.7687E+01  6.7374E+00
  7.9278E+02 -7.3001E+02  1.2342E+02
CT            1519   12.011000    0.145000
 -2.1759E+00 -1.1920E+01  8.8673E+00
  9.1905E-01  2.0644E+00 -4.0612E+00
  2.1378E+03 -1.4294E+03 -3.9216E+03
OH            1520    0.000000   -0.683000
 -9.1479E-01 -1.1525E+01  9.3588E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1521    1.008000    0.418000
 -2.7690E-01 -1.1387E+01  8.6755E+00
  1.5761E+01 -1.1901E+01  1.1535E+01
 -9.3683E+02 -1.7720E+03 -4.5608E+02
HC            1522    1.008000    0.040000
 -2.0641E+00 -1.2895E+01  8.3927E+00
 -1.7447E+01  1.7238E+00 -8.4367E+00
 -6.3740E+02  1.2826E+02 -3.9924E+02
HC            1523    1.008000    0.040000
 -2.4731E+00 -1.1252E+01  8.0590E+00
  1.8083E+01  3.7098E+00 -9.4169E+00
 -1.4565E+02  2.9271E+02  5.8951E+02
HC            1524    1.008000    0.040000
 -3.0006E+00 -1.2008E+01  9.5745E+00
 -1.2114E+00  2.5765E+01 -2.8186E+00
  1.8396E+03  8.5913E+02  1.0236E+03
CT            1525   12.011000    0.145000
  7.3384E+00  9.9721E+00  1.7942E+01
 -6.1964E-01 -5.6811E-01  4.4234E-01
  1.6039E+03  1.2779E+03 -8.8177E+02
OH            1526    0.000000   -0.683000
  6.9682E+00  1.1037E+01  1.8788E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1527    1.008000    0.418000
  6.2821E+00  1.1478E+01  1.8312E+01
 -2.1847E+01 -2.8911E+01  1.9080E+00
  1.1554E+03 -1.3214E+03 -1.9502E+02
HC            1528    1.008000    0.040000
  6.5482E+00  9.4857E+00  1.7370E+01
 -1.0919E+00  7.0358E+00 -5.5355E+00
 -1.5431E+03  2.1248E+02  2.4456E+03
HC            1529    1.008000    0.040000
  7.9174E+00  9.2688E+00  1.8540E+01
  2.5080E+00  4.7174E+00  3.7083E+00
  4.4857E+02 -3.5641E+02 -1.0390E+03
HC            1530    1.008000    0.040000
  7.9618E+00  1.0367E+01  1.7139E+01
  5.6728E+00 -7.9401E+00  1.5878E+00
  1.2073E+03 -3.1323E+02  6.2374E+02
CT            1531   12.011000    0.145000
 -5.8836E+00  2.0237E+01  3.8981E+00
  2.1262E+00 -4.4693E+00  2.4473E+00
  2.0169E+02  1.1605E+02 -2.1409E+02
OH            1532    0.000000   -0.683000
 -4.5851E+00 -2.0164E+01  3.6703E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1533    1.008000    0.418000
 -4.3675E+00 -2.0385E+01  2.7777E+00
 -4.1118E+00 -6.8544E+00  6.2460E-01
 -2.5634E+03 -2.9964E+03  8.5815E+01
HC            1534    1.008000    0.040000
 -5.8429E+00  1.9242E+01  4.3430E+00
  3.1284E+01 -2.4199E+00  6.3093E+00
  3.3842E+02  1.4564E+03  1.3563E+03
HC            1535    1.008000    0.040000
 -6.4587E+00  2.0116E+01  2.9800E+00
 -1.7071E+00  9.8434E-01  4.0820E+00
  4.4069E+03  1.6302E+03 -2.8099E+03
HC            1536    1.008000    0.040000
 -6.4565E+00 -1.9940E+01  4.4786E+00
  5.8866E+00 -1.1348E+01  1.5108E+01
  3.2710E+02 -1.3357E+03  1.7908E+03
CT            1537   12.011000    0.145000
 -9.6436E+00  1.1356E+01 -9.7059E+00
  8.8473E-01 -1.5299E+00  2.1266E+00
 -1.0438E+03  1.2660E+03 -1.1966E+03
OH            1538    0.000000   -0.683000
 -1.0585E+01  1.0359E+01 -1.0035E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1539    1.008000    0.418000
 -1.0120E+01  9.6497E+00 -1.0452E+01
 -2.3829E+01 -5.6002E+00 -1.9356E+01
 -1.7054E+03  1.2754E+02 -1.6157E+02
HC            1540    1.008000    0.040000
 -8.8735E+00  1.0972E+01 -9.0370E+00
 -8.3567E+00 -8.8938E+00  8.8136E+00
 -2.4174E+02  3.1087E+02 -8.3282E+01
HC            1541    1.008000    0.040000
 -1.0142E+01  1.2195E+01 -9.2204E+00
  7.5372E+00 -2.8458E+00  1.1504E+01
 -7.4867E+01 -2.0841E+02  2.0529E+02
HC            1542    1.008000    0.040000
 -9.2100E+00  1.1767E+01 -1.0618E+01
 -2.2149E-01  1.3477E+01  8.0664E+00
  7.5131E+02 -1.5793E+02  4.7759E+02
CT            1543   12.011000    0.145000
  1.2505E+00 -1.6064E+00  1.7726E+01
 -4.9722E+00 -2.0138E+00  3.0854E+00
  1.1715E+03  2.0080E+03 -2.2083E+03
OH            1544    0.000000   -0.683000
  8.6226E-01 -2.3576E+00  1.6598E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1545    1.008000    0.418000
  2.9199E-01 -1.8106E+00  1.6079E+01
  2.0797E+01  1.1292E+01 -1.2341E+01
  7.6290E+02 -4.0371E+01  4.2827E+02
HC            1546    1.008000    0.040000
  4.9250E-01 -8.6534E-01  1.7980E+01
 -6.3339E+00  8.4144E-01 -8.7310E+00
  5.0936E+01 -4.4581E+02  6.7690E+02
HC            1547    1.008000    0.040000
  2.1980E+00 -1.1636E+00  1.7419E+01
  1.7988E+01 -3.4544E+01  2.0838E+01
 -1.4502E+03  1.5292E+03  3.5342E+03
HC            1548    1.008000    0.040000
  1.4621E+00 -2.3011E+00  1.8539E+01
  3.0911E+00  1.3241E+00  3.9335E+00
  6.7356E+02  7.1537E+02  6.8147E+01
CT            1549   12.011000    0.145000
 -1.6706E+01 -8.3172E+00 -4.9559E+00
 -5.9713E+00  2.3707E+00 -3.4561E+00
 -1.3286E+03 -3.4259E+03  2.3468E+03
OH            1550    0.000000   -0.683000
 -1.6498E+01 -9.2836E+00 -5.9615E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1551    1.008000    0.418000
 -1.7350E+01 -9.6766E+00 -6.0779E+00
 -3.1125E+00  9.9332E+00 -1.3184E+01
  5.8565E+02 -4.6272E+02 -8.7425E+01
HC            1552    1.008000    0.040000
 -1.7503E+01 -7.5784E+00 -5.0376E+00
  4.2598E+00  1.3470E+01 -5.7608E+00
  4.9647E+02 -4.2305E+02 -4.3173E+03
HC            1553    1.008000    0.040000
 -1.5824E+01 -7.7486E+00 -4.6597E+00
 -3.7654E+00 -2.1747E-01 -5.0050E+00
  9.6310E+02 -1.3072E+03 -1.0224E+03
HC            1554    1.008000    0.040000
 -1.7033E+01 -8.8883E+00 -4.0871E+00
  1.1139E+01 -5.5468E+00 -1.7965E+00
  1.7614E+03 -2.9719E+02  6.2393E+02
CT            1555   12.011000    0.145000
  1.6313E+01 -1.1459E+01  5.6304E+00
 -4.4211E-01 -5.2509E-02  1.2613E+00
 -6.6298E+02  3.9930E+03 -1.6302E+03
OH            1556    0.000000   -0.683000
  1.5041E+01 -1.1851E+01  5.1666E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1557    1.008000    0.418000
  1.4941E+01 -1.1718E+01  4.2365E+00
 -1.7841E+01 -3.1701E+01 -4.0782E+00
  4.0611E+03 -1.5856E+02  1.3456E+03
HC            1558    1.008000    0.040000
  1.6292E+01 -1.1403E+01  6.7187E+00
  1.6341E+01  4.1672E+00  1.6541E+00
  3.0058E+03 -1.5938E+03 -1.2020E+02
HC            1559    1.008000    0.040000
  1.6460E+01 -1.0434E+01  5.2879E+00
 -2.6701E+00 -1.7938E+00 -5.0406E+00
  1.6752E+03 -1.6355E+02 -7.3426E+02
HC            1560    1.008000    0.040000
  1.7044E+01 -1.2154E+01  5.2172E+00
  1.2054E+01  3.2303E+00  1.6860E+01
  1.7827E+03  1.5923E+03  1.5267E+03
CT            1561   12.011000    0.145000
 -1.8599E+01 -1.1776E+01 -3.1849E+00
  5.1357E+00 -5.2355E+00 -6.6745E+00
  5.7590E+03 -3.3579E+03 -5.8073E+03
OH            1562    0.000000   -0.683000
 -1.7622E+01 -1.2047E+01 -2.2053E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1563    1.008000    0.418000
 -1.6863E+01 -1.1486E+01 -2.2525E+00
 -5.2647E+00  6.6296E+00 -8.8998E+00
 -2.4180E+03  3.0766E+03 -3.1248E+03
HC            1564    1.008000    0.040000
 -1.9013E+01 -1.0769E+01 -3.2335E+00
 -1.7126E+01 -1.3743E+01 -5.0134E+00
 -1.5866E+03 -1.4048E+03  1.2494E+03
HC            1565    1.008000    0.040000
 -1.9279E+01 -1.2617E+01 -3.3223E+00
 -2.7944E+00  6.6725E-01 -4.3216E+00
 -3.9803E+03  2.6518E+03  3.2207E+03
HC            1566    1.008000    0.040000
 -1.8138E+01 -1.1949E+01 -4.1573E+00
 -4.4297E+00  6.6424E+00 -1.3614E+01
  1.6377E+03  2.9710E+03 -3.1318E+02
CT            1567   12.011000    0.145000
 -9.1611E+00 -1.0585E+01 -9.2640E+00
  7.2385E+00 -7.3304E+00  5.8281E+00
  2.8543E+02  7.4551E+02  1.2851E+03
OH            1568    0.000000   -0.683000
 -8.4501E+00 -9.4716E+00 -8.7709E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1569    1.008000    0.418000
 -7.7083E+00 -9.4051E+00 -9.3527E+00
 -8.6453E-01 -2.4472E+00 -1.3974E+00
  1.0938E+03 -6.6473E+02  1.3540E+03
HC            1570    1.008000    0.040000
 -1.0108E+01 -1.0796E+01 -8.7665E+00
 -1.8069E+01  1.9819E+01 -2.5985E+01
  6.4764E+02  3.8633E+03 -1.0082E+03
HC            1571    1.008000    0.040000
 -8.6399E+00 -1.1542E+01 -9.2909E+00
  1.4066E+01 -3.6340E+00  4.3075E+00
  3.2678E+03  1.7626E+03  2.6386E+03
HC            1572    1.008000    0.040000
 -9.4327E+00 -1.0553E+01 -1.0319E+01
  9.7342E+00 -5.8874E+00  5.2210E+00
 -1.4228E+02  3.5919E+03  2.7161E+02
CT            1573   12.011000    0.145000
  1.4421E+01 -1.2900E+01  8.9572E+00
  6.2227E+00  9.7096E-01 -1.6379E+00
  1.0260E+03  9.4641E+02  6.9838E+01
OH            1574    0.000000   -0.683000
  1.4020E+01 -1.1891E+01  8.0571E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1575    1.008000    0.418000
  1.4371E+01 -1.2092E+01  7.2028E+00
  3.3012E+01  5.3987E+00  1.0833E+01
 -5.3507E+01  1.6297E+02  1.3389E+03
HC            1576    1.008000    0.040000
  1.3980E+01 -1.3805E+01  8.5394E+00
  8.2025E+00 -1.1282E+01  2.1189E+01
  1.9271E+03 -1.5660E+03  2.5323E+03
HC            1577    1.008000    0.040000
  1.4044E+01 -1.2737E+01  9.9670E+00
 -3.0537E+01 -5.9219E+00 -1.2752E+01
 -1.1963E+03 -7.9721E+02 -1.5811E+03
HC            1578    1.008000    0.040000
  1.5511E+01 -1.2869E+01  8.9509E+00
  6.6347E+00 -8.7097E+00  3.3861E+00
  1.1347E+02 -2.0074E+03  5.3620E+02
CT            1579   12.011000    0.145000
  1.6170E+01 -1.7659E-01  1.3823E+01
 -1.7349E+00 -2.1988E+00 -5.8507E+00
 -3.2790E+03 -2.5134E+03 -3.8172E+03
OH            1580    0.000000   -0.683000
  1.6628E+01 -1.4622E+00  1.4178E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1581    1.008000    0.418000
  1.6111E+01 -2.0687E+00  1.3669E+01
 -1.3745E+01  5.3231E+00  7.0928E+00
 -6.8559E+02  1.7305E+03 -9.1590E+02
HC            1582    1.008000    0.040000
  1.5216E+01 -1.3390E-02  1.4324E+01
 -1.9497E+00  4.1137E+00 -8.2246E+00
  2.3564E+01  7.7965E+02 -1.2446E+02
HC            1583    1.008000    0.040000
  1.5979E+01 -9.4087E-02  1.2753E+01
  1.2511E+01  8.1273E+00 -7.8871E+00
 -1.0705E+03 -3.1232E+03  6.7306E+01
HC            1584    1.008000    0.040000
  1.6725E+01  7.5724E-01  1.3914E+01
  3.2287E+00 -7.2739E+00  4.6137E+01
  3.0584E+03 -4.4307E+03  5.2519E+03
CT            1585   12.011000    0.145000
 -1.6881E+01  1.0881E+01 -3.7885E+00
  1.6145E+00 -3.8197E+00 -2.3587E-02
 -2.0876E+03 -2.0800E+03 -6.5743E+02
OH            1586    0.000000   -0.683000
 -1.7242E+01  1.0724E+01 -2.4346E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1587    1.008000    0.418000
 -1.8041E+01  1.0237E+01 -2.5656E+00
  2.6583E+00 -5.6039E+00  4.2101E+00
 -1.6925E+03  1.9167E+03  3.9128E+03
HC            1588    1.008000    0.040000
 -1.7232E+01  9.9448E+00 -4.2230E+00
 -1.3611E+01  2.6984E+00 -2.4296E+00
 -1.3962E+03  1.1433E+03 -1.5179E+03
HC            1589    1.008000    0.040000
 -1.5872E+01  1.0908E+01 -4.1997E+00
  6.9882E+00 -9.4435E+00  1.2275E+01
  2.1309E+03  1.7952E+02  5.5526E+03
HC            1590    1.008000    0.040000
 -1.7310E+01  1.1740E+01 -4.3046E+00
  2.3420E+01  3.3360E+00 -7.3527E+00
 -2.3465E+03 -1.3717E+03  1.4402E+03
CT            1591   12.011000    0.145000
  1.3126E+01  7.9053E+00  1.4294E+01
 -1.6663E+00  1.5912E+00  4.8965E-01
  3.1143E+03 -2.3310E+03 -1.0361E+02
OH            1592    0.000000   -0.683000
  1.2493E+01  6.9769E+00  1.5146E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1593    1.008000    0.418000
  1.2166E+01  6.2720E+00  1.4608E+01
 -6.0356E+00 -1.3472E+01  2.0163E+01
  1.9873E+03  7.6589E+02 -7.4472E+02
HC            1594    1.008000    0.040000
  1.3388E+01  8.8928E+00  1.4674E+01
  7.7387E+00  1.9400E+00 -6.5439E+00
 -3.9897E+03  5.2670E+02  1.5276E+02
HC            1595    1.008000    0.040000
  1.2560E+01  7.9355E+00  1.3363E+01
  3.8902E-01  2.2476E+00 -7.4524E-01
  1.1414E+03  1.9610E+03 -4.7118E+02
HC            1596    1.008000    0.040000
  1.4122E+01  7.4793E+00  1.4171E+01
 -1.4989E+00 -9.5178E-01  9.8648E+00
 -3.1966E+02 -2.7892E+02 -2.7036E+03
CT            1597   12.011000    0.145000
  1.5767E+01  1.0305E+01  6.8710E+00
  1.9570E+00 -2.9927E-01  1.2800E+00
 -4.4634E+03  3.7942E+03 -2.6654E+03
OH            1598    0.000000   -0.683000
  1.6547E+01  1.0437E+01  5.7042E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1599    1.008000    0.418000
  1.6747E+01  9.5556E+00  5.4273E+00
 -2.3169E+01 -1.1564E+00 -1.5889E+01
 -1.6237E+03 -1.7244E+02  2.2923E+03
HC            1600    1.008000    0.040000
  1.6415E+01  1.0562E+01  7.7084E+00
  1.0644E+01 -9.1534E-01 -5.1207E+00
  4.2350E+02 -6.3814E+03  9.7872E+02
HC            1601    1.008000    0.040000
  1.5146E+01  9.4091E+00  6.8508E+00
 -2.4316E+01  1.6419E+01  1.2695E+01
  1.0219E+03  5.1518E+02  3.2224E+03
HC            1602    1.008000    0.040000
  1.5059E+01  1.1130E+01  6.7896E+00
  6.0022E+00  1.7523E+00 -1.7840E+01
 -3.3128E+02 -1.1828E+02  1.3928E+02
CT            1603   12.011000    0.145000
 -6.4439E+00  1.3097E+01  8.9976E+00
  2.0426E+00 -3.0110E-01 -1.8244E+00
 -4.6994E+02  3.8552E+03 -8.7347E+02
OH            1604    0.000000   -0.683000
 -5.5090E+00  1.3461E+01  9.9885E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1605    1.008000    0.418000
 -5.5408E+00  1.4402E+01  1.0066E+01
  2.4629E+01  1.9647E+00 -5.4895E+00
 -8.7178E+02 -6.8850E+02 -1.2306E+03
HC            1606    1.008000    0.040000
 -6.0996E+00  1.3716E+01  8.1691E+00
  2.3499E+01 -6.8877E+00  1.5503E+00
 -1.2456E+03 -2.0625E+03 -1.6331E+03
HC            1607    1.008000    0.040000
 -7.4245E+00  1.3439E+01  9.3293E+00
  2.9059E-01 -8.5681E+00  1.7638E+00
 -7.0204E+02 -1.4454E+03 -3.0813E+02
HC            1608    1.008000    0.040000
 -6.4612E+00  1.2044E+01  8.7192E+00
 -9.0574E+00  2.6080E+00 -1.3074E+01
 -3.3570E+02  5.1901E+02  1.1651E+02
CT            1609   12.011000    0.145000
 -1.8488E+01 -7.9583E+00  9.0495E+00
 -3.9110E+00 -2.1673E+00 -3.4404E+00
 -2.7589E+03 -2.1213E+02 -1.0993E+03
OH            1610    0.000000   -0.683000
 -1.8965E+01 -8.7609E+00  1.0106E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1611    1.008000    0.418000
 -1.8801E+01 -8.4273E+00  1.0975E+01
 -1.7053E+01  3.0381E+00  2.4127E+00
  5.0256E+03  4.0705E+02 -1.9393E+03
HC            1612    1.008000    0.040000
 -1.7480E+01 -8.3434E+00  8.8984E+00
 -7.0334E+00 -1.5841E+01  8.3438E+00
  1.3376E+03  5.5166E+03  8.1194E+02
HC            1613    1.008000    0.040000
 -1.8764E+01 -6.9202E+00  9.2350E+00
  1.0590E+01  8.5087E+00 -3.4647E+01
  5.5730E+03  4.8271E+02  1.0936E+02
HC            1614    1.008000    0.040000
 -1.8998E+01 -8.0961E+00  8.0961E+00
 -1.0332E+01 -1.3872E+01  1.4732E+00
 -7.1600E+02 -2.4393E+03  5.9829E+02
CT            1615   12.011000    0.145000
 -1.9976E+01 -6.7330E+00  2.4299E+00
 -1.4615E+00  2.6780E-02  1.4443E+00
 -2.5842E+03 -1.6936E+03  1.8843E+03
OH            1616    0.000000   -0.683000
  1.9969E+01 -6.3778E+00  1.4547E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1617    1.008000    0.418000
  1.9183E+01 -6.5099E+00  1.9614E+00
 -6.3131E+00  4.6916E+00 -8.3196E+00
 -3.0950E+03  4.6746E+02 -4.5923E+03
HC            1618    1.008000    0.040000
 -1.8935E+01 -6.8619E+00  2.1324E+00
 -2.7095E+00  1.5230E+01 -1.0794E+01
 -7.7326E+02  9.5457E+02 -1.4360E+03
HC            1619    1.008000    0.040000
 -2.0402E+01 -7.6722E+00  2.7831E+00
 -4.7332E+00 -5.3156E+00 -1.5759E+01
  2.2486E+03 -6.0214E+02  7.3638E+02
HC            1620    1.008000    0.040000
 -2.0063E+01 -6.0083E+00  3.2396E+00
  6.4561E+00 -1.7094E+00  3.9327E+00
  1.9904E+03 -4.3720E+02  6.5067E+02
CT            1621   12.011000    0.145000
 -1.7090E+01  4.9388E+00  1.5012E+01
 -6.8466E+00  6.9342E+00  3.2302E+00
 -3.8760E+03 -1.0516E+03  1.1472E+03
OH            1622    0.000000   -0.683000
 -1.7742E+01  4.8612E+00  1.3765E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1623    1.008000    0.418000
 -1.8662E+01  4.6533E+00  1.3817E+01
 -1.0202E-02 -5.9453E+00 -1.7260E+01
  2.4732E+02  4.2228E+03  4.8203E+03
HC            1624    1.008000    0.040000
 -1.6965E+01  5.9196E+00  1.5471E+01
 -2.4914E-01  6.9887E+00  1.4241E+00
  1.9937E+03  9.5352E+02 -2.7473E+03
HC            1625    1.008000    0.040000
 -1.6146E+01  4.4537E+00  1.4765E+01
  1.9003E+00  2.8716E+01 -8.9456E+00
  2.2431E+02  6.2310E+02  4.3052E+03
HC            1626    1.008000    0.040000
 -1.7785E+01  4.4545E+00  1.5699E+01
 -7.2615E+00 -1.4469E+01 -1.1314E+01
  2.6059E+03 -3.4648E+03  5.5961E+01
CT            1627   12.011000    0.145000
  1.0165E+01  1.5581E+01  1.6808E+01
  1.2533E+00 -2.4569E+00 -1.1071E+00
 -1.9811E+03  4.1582E+03  1.9873E+03
OH            1628    0.000000   -0.683000
  1.1386E+01  1.6272E+01  1.6666E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1629    1.008000    0.418000
  1.1635E+01  1.6591E+01  1.7520E+01
  1.3414E+01 -2.3373E+01  5.7211E+00
 -1.8388E+03 -7.3204E+02 -1.3411E+02
HC            1630    1.008000    0.040000
  9.3410E+00  1.6250E+01  1.7057E+01
  1.2053E+01  7.3875E+00  9.5351E+00
  1.3811E+03  2.5316E+03 -1.6853E+03
HC            1631    1.008000    0.040000
  1.0124E+01  1.5014E+01  1.7738E+01
  2.4475E+01 -4.2831E-01  1.7494E+00
  2.5060E+03 -2.6801E+03 -1.9905E+03
HC            1632    1.008000    0.040000
  9.8259E+00  1.5053E+01  1.5917E+01
 -1.0748E+01 -1.1066E+01  8.2169E+00
  1.1587E+03 -9.7437E+02  7.9379E+02
CT            1633   12.011000    0.145000
  1.5190E+01 -8.5823E+00 -3.3940E+00
  8.5663E-01  9.1176E-01 -6.9392E+00
  4.3269E+03  3.7968E+03 -9.0522E+02
OH            1634    0.000000   -0.683000
  1.4341E+01 -7.4579E+00 -3.3440E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1635    1.008000    0.418000
  1.3837E+01 -7.3471E+00 -4.1358E+00
 -6.6937E+00  1.3283E+01  5.7955E+00
  1.1248E+03 -1.8101E+03 -4.5959E+02
HC            1636    1.008000    0.040000
  1.5779E+01 -8.5950E+00 -4.3114E+00
  4.3733E+00  6.3849E+00 -4.8099E+00
 -2.4263E+03 -1.1093E+03 -1.6758E+03
HC            1637    1.008000    0.040000
  1.4792E+01 -9.5741E+00 -3.1804E+00
 -4.8276E+00  5.8192E+00  6.3311E+00
 -1.8914E+03  1.4392E+03  1.6811E+02
HC            1638    1.008000    0.040000
  1.6093E+01 -8.4419E+00 -2.7992E+00
  1.4293E+01 -1.4377E+01 -2.2606E+01
 -2.5251E+03  4.6245E+01  2.6759E+03
CT            1639   12.011000    0.145000
  1.4608E+01 -8.3652E+00  7.8276E+00
  3.8370E+00  3.1986E+00 -3.0082E+00
 -7.3119E+02  1.1843E+03  3.7608E+03
OH            1640    0.000000   -0.683000
  1.5663E+01 -9.1137E+00  8.3887E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1641    1.008000    0.418000
  1.5266E+01 -9.9571E+00  8.5431E+00
 -2.9074E+00  1.3281E+00 -1.5516E-01
  8.3212E+02 -2.3719E+02  6.8819E+02
HC            1642    1.008000    0.040000
  1.3983E+01 -7.8992E+00  8.5894E+00
  7.7407E+00 -3.9611E+00  4.7399E+00
  1.9945E+02 -1.1182E+03  1.1875E+03
HC            1643    1.008000    0.040000
  1.3984E+01 -9.1333E+00  7.3708E+00
  2.1333E+00  4.3328E+00 -2.5975E+00
 -2.0340E+02  3.0759E+03 -4.3674E+03
HC            1644    1.008000    0.040000
  1.5018E+01 -7.5274E+00  7.2639E+00
 -5.1265E+00 -9.6640E-01 -1.6208E+01
 -1.8003E+03 -1.8269E+03 -3.7969E+03
CT            1645   12.011000    0.145000
 -8.9534E+00  1.6372E+00  1.7707E+01
  9.7753E+00  6.5084E+00 -2.4095E-02
 -7.0765E+01 -4.6554E+01 -2.5517E+03
OH            1646    0.000000   -0.683000
 -9.6576E+00  2.6712E+00  1.7057E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1647    1.008000    0.418000
 -1.0539E+01  2.3402E+00  1.7136E+01
 -5.3360E+00  1.2885E+01 -2.9658E+00
 -1.7778E+03  4.0284E+03 -2.7007E+03
HC            1648    1.008000    0.040000
 -9.6186E+00  8.4997E-01  1.8062E+01
  1.9228E+01 -4.2104E+00 -5.4282E+00
 -6.7700E+02  1.6274E+03  1.1079E+03
HC            1649    1.008000    0.040000
 -8.3404E+00  1.9903E+00  1.8536E+01
  2.4641E+00  1.0693E+01  3.7013E+00
 -4.9303E+02  4.4622E+02 -1.2200E+02
HC            1650    1.008000    0.040000
 -8.3445E+00  1.0531E+00  1.7017E+01
  5.1354E+00  1.7660E+01 -1.4057E+01
  5.4775E+02  1.9421E+03 -1.0363E+03
CT            1651   12.011000    0.145000
  1.7553E+01  6.5624E+00  5.3194E+00
 -1.4178E-01  1.0324E+00 -2.0405E+00
 -6.1975E+03 -4.7000E+02 -6.4324E+03
OH            1652    0.000000   -0.683000
  1.6853E+01  7.6330E+00  5.9123E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1653    1.008000    0.418000
  1.6996E+01  7.3567E+00  6.8046E+00
  6.7544E+00 -1.3497E+01 -4.9771E+00
 -1.2661E+03  2.0211E+03  3.6152E+02
HC            1654    1.008000    0.040000
  1.8639E+01  6.6564E+00  5.2809E+00
  4.2046E+00 -2.0849E+01  2.9019E+01
 -1.0674E+03 -2.1221E+03  2.7945E+03
HC            1655    1.008000    0.040000
  1.7236E+01  6.4135E+00  4.2872E+00
  6.8921E+00  3.2520E+01 -9.8099E+00
  2.0994E+02  3.5826E+03 -6.4995E+02
HC            1656    1.008000    0.040000
  1.7085E+01  5.6315E+00  5.6397E+00
 -1.3987E+01  1.0067E+00 -2.0664E+01
  4.7400E+03 -1.3622E+02  3.1472E+03
CT            1657   12.011000    0.145000
  5.3296E+00  1.4610E+01 -1.1609E+01
  4.6710E+00 -2.2383E+00 -3.8173E-01
 -2.7870E+03  8.8946E+02 -1.4090E+02
OH            1658    0.000000   -0.683000
  5.3596E+00  1.4919E+01 -1.2984E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1659    1.008000    0.418000
  4.4778E+00  1.5034E+01 -1.3304E+01
  1.9301E+00 -4.9884E+00 -7.3657E+00
 -1.3110E+02  1.4670E+03  1.3968E+03
HC            1660    1.008000    0.040000
  4.9838E+00  1.5499E+01 -1.1082E+01
 -3.6902E-01  9.7758E+00 -2.2681E+01
  2.7956E+02  1.8149E+03 -3.2498E+03
HC            1661    1.008000    0.040000
  6.2302E+00  1.4272E+01 -1.1097E+01
 -1.3115E+00 -1.7139E+01  8.0343E-01
  3.7115E+02 -1.4966E+03 -2.5266E+03
HC            1662    1.008000    0.040000
  4.5058E+00  1.3898E+01 -1.1552E+01
 -2.3269E+00  6.4861E+00  1.2306E+01
  1.7155E+03 -1.5475E+03  3.0921E+03
CT            1663   12.011000    0.145000
  4.5509E+00 -1.8964E+01  1.0377E+00
 -7.3059E-01 -5.1155E+00  5.1202E-01
  3.5460E+03 -4.4955E+03  2.6858E+03
OH            1664    0.000000   -0.683000
  5.2562E+00 -1.9180E+01 -1.6401E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1665    1.008000    0.418000
  5.5323E+00 -2.0082E+01 -2.1619E-01
  8.1478E+00  1.9420E+00  7.1877E+00
 -1.3740E+03 -3.0266E+02  8.5396E+02
HC            1666    1.008000    0.040000
  4.4162E+00 -1.7921E+01  1.3238E+00
 -4.8578E+00  5.4207E-01 -2.0362E+01
 -8.4946E+01  6.6978E+01 -2.4867E+03
HC            1667    1.008000    0.040000
  5.2074E+00 -1.9383E+01  1.8008E+00
  3.2166E+01  7.9347E+00 -1.8520E+01
  4.6125E+02  1.0031E+03 -1.0511E+03
HC            1668    1.008000    0.040000
  3.6181E+00 -1.9493E+01  1.2333E+00
 -1.4954E+00  5.5674E+00  3.1117E+01
  2.6192E+02  1.1972E+03 -2.7127E+03
CT            1669   12.011000    0.145000
  1.6686E+01 -1.4747E+01  7.0173E+00
  1.2437E+00  6.4719E+00  3.6863E+00
  8.2350E+01  7.7032E+02 -1.6326E+03
OH            1670    0.000000   -0.683000
  1.8043E+01 -1.4801E+01  6.6384E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1671    1.008000    0.418000
  1.8401E+01 -1.4240E+01  7.3096E+00
 -1.1346E+01  1.5462E+01 -6.2564E+00
 -1.8938E+02 -2.9719E+02 -2.6716E+02
HC            1672    1.008000    0.040000
  1.6041E+01 -1.5541E+01  6.6413E+00
 -1.5067E+01  5.8755E+00  3.0326E+01
  4.6469E+02  1.1395E+03 -4.0598E+02
HC            1673    1.008000    0.040000
  1.6367E+01 -1.3766E+01  6.6661E+00
 -1.4719E+01  8.3483E-01  1.6049E+00
 -2.7613E+03 -1.4437E+03 -1.5688E+03
HC            1674    1.008000    0.040000
  1.6462E+01 -1.4637E+01  8.0784E+00
  1.6979E+01 -8.5217E+00  9.0306E+00
  2.9312E+03 -3.9384E+03  7.8947E+02
CT            1675   12.011000    0.145000
 -6.7140E+00  1.6832E+01  8.7358E+00
 -4.4599E-01  1.4270E+00  7.9384E-01
  6.4399E+03 -1.3265E+03 -4.3973E+03
OH            1676    0.000000   -0.683000
 -6.0058E+00  1.6414E+01  9.8812E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1677    1.008000    0.418000
 -5.9690E+00  1.7120E+01  1.0509E+01
 -1.0684E+01  1.2076E+01 -1.2299E+01
 -7.5137E+02  1.3783E+03 -1.8811E+03
HC            1678    1.008000    0.040000
 -6.9085E+00  1.6024E+01  8.0310E+00
 -5.5234E+00  1.4882E+01 -1.3838E+01
 -2.1064E+03 -2.8917E+02  1.2682E+03
HC            1679    1.008000    0.040000
 -5.8870E+00  1.7280E+01  8.1846E+00
  1.4008E+01 -1.7400E+01  6.1099E+00
 -2.3869E+03  3.2529E+03 -1.1705E+02
HC            1680    1.008000    0.040000
 -7.6263E+00  1.7426E+01  8.7969E+00
 -8.9260E+00 -7.8132E+00 -2.3700E+01
  1.9844E+03  1.2552E+02  1.7832E+03
CT            1681   12.011000    0.145000
  1.8105E+01 -1.9924E+01  6.2721E-01
  8.0018E+00 -5.2685E+00 -2.9572E+00
 -1.7184E+03  2.7256E+03  5.1251E+02
OH            1682    0.000000   -0.683000
  1.8937E+01 -1.9049E+01  1.3546E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1683    1.008000    0.418000
  1.8302E+01 -1.8410E+01  1.6399E+00
 -1.4097E+01 -1.0946E+01 -5.6573E+00
  1.3285E+03  1.0159E+03 -9.2508E+02
HC            1684    1.008000    0.040000
  1.7162E+01 -1.9838E+01  1.1672E+00
  1.2854E+01  1.3353E+01  3.3291E+00
 -1.0674E+01 -1.2623E+03 -4.8780E+02
HC            1685    1.008000    0.040000
  1.8421E+01  1.9934E+01  6.0025E-01
  7.4856E+00 -5.3025E+00 -2.3745E+01
  4.3267E+02  7.7199E+02 -9.6442E+02
HC            1686    1.008000    0.040000
  1.7799E+01 -1.9522E+01 -3.3888E-01
 -3.4081E+01  2.2290E+01  1.8709E+01
  1.6923E+03 -1.2577E+03  2.2841E+03
CT            1687   12.011000    0.145000
  7.6090E+00 -1.2688E+01 -1.1280E+00
  2.3705E-01  2.9984E+00 -2.1486E+00
 -1.2538E+02 -7.5728E+02  4.2816E+01
OH            1688    0.000000   -0.683000
  8.8428E+00 -1.3150E+01 -1.6303E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1689    1.008000    0.418000
  8.9436E+00 -1.3988E+01 -1.2056E+00
 -6.8050E+00 -1.3929E+00 -1.0177E+00
  6.8404E+02  1.2875E+03  2.1486E+03
HC            1690    1.008000    0.040000
  7.0553E+00 -1.3607E+01 -1.3228E+00
  2.4651E+00  5.6153E+00 -2.3136E+01
 -4.1958E+03  3.1670E+03 -1.1834E+03
HC            1691    1.008000    0.040000
  7.2929E+00 -1.1789E+01 -1.6575E+00
 -2.1640E+01 -3.4470E+00 -1.0143E+00
 -2.4856E+03 -1.7493E+03 -8.3516E+02
HC            1692    1.008000    0.040000
  7.5411E+00 -1.2451E+01 -6.6177E-02
 -1.3731E+00  1.4431E+01 -4.6706E+00
  1.9509E+03 -5.2757E+02  6.0034E+01
CT            1693   12.011000    0.145000
  9.8726E-01 -1.6465E+01  1.4073E+00
  4.2934E+00  7.3373E-01  3.9196E+00
 -4.7352E+03 -5.1432E+02 -1.2740E+03
OH            1694    0.000000   -0.683000
  7.2076E-01 -1.5081E+01  1.4313E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1695    1.008000    0.418000
 -2.0541E-01 -1.4896E+01  1.4616E+00
  5.6865E+00  3.5584E+01 -8.3352E-01
  1.4736E+03  9.7899E+02  1.1295E+03
HC            1696    1.008000    0.040000
  5.9882E-01 -1.6965E+01  2.2949E+00
  9.0563E+00  3.4532E+00  7.5831E+00
  1.8203E+03  5.3345E+02  1.1993E+03
HC            1697    1.008000    0.040000
  2.0053E+00 -1.6781E+01  1.1786E+00
  3.6765E-02 -4.8295E+00 -8.2245E+00
 -2.3594E+02  9.8164E+02  2.6757E+02
HC            1698    1.008000    0.040000
  3.0085E-01 -1.6805E+01  6.3154E-01
 -4.7550E+00  2.1576E+01  2.1377E+00
  1.9654E+03 -5.5281E+02 -1.1265E+03
CT            1699   12.011000    0.145000
 -1.9114E+01  6.1350E+00 -4.4681E+00
  4.2859E+00  4.0031E+00 -2.1691E+00
  6.9651E+02 -2.1350E+03  4.5753E+03
OH            1700    0.000000   -0.683000
 -1.8365E+01  5.0511E+00 -4.9707E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1701    1.008000    0.418000
 -1.7523E+01  5.1626E+00 -4.5568E+00
 -1.1586E+01 -1.4135E+01  3.0415E+01
 -7.1940E+02 -1.3086E+03 -1.4323E+03
HC            1702    1.008000    0.040000
 -1.8622E+01  7.1062E+00 -4.4163E+00
  2.3780E-01  5.4024E+00  1.9401E+01
 -7.1250E+00 -7.3539E+02 -1.7423E+03
HC            1703    1.008000    0.040000
 -1.9083E+01  5.7849E+00 -3.4363E+00
  2.8796E+01 -1.2968E+01 -7.7660E+00
 -2.3827E+03  2.1627E+03 -4.6562E+01
HC            1704    1.008000    0.040000
 -2.0122E+01  6.1900E+00 -4.8786E+00
  5.7727E+00  9.4037E+00 -5.1963E+00
  2.7232E+02  3.5553E+02 -1.0675E+01
CT            1705   12.011000    0.145000
 -1.6114E+00 -5.5814E+00  1.6919E+01
  7.5590E-01 -6.0982E-01 -2.7083E+00
  1.9699E+03  3.8834E+03  7.8710E+02
OH            1706    0.000000   -0.683000
 -2.7424E+00 -4.8828E+00  1.6449E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1707    1.008000    0.418000
 -2.9580E+00 -4.2284E+00  1.7096E+01
 -1.0619E+01  3.6844E+00 -6.9968E+00
  2.7197E+02  3.4968E+02 -5.2508E+02
HC            1708    1.008000    0.040000
 -1.8762E+00 -6.2236E+00  1.7759E+01
 -1.0327E+01 -8.2620E-01 -6.2074E+00
 -1.8898E+02 -2.0481E+03 -1.9912E+03
HC            1709    1.008000    0.040000
 -9.1275E-01 -4.8631E+00  1.7348E+01
 -1.4250E+01  1.2569E+01  6.1899E-01
 -8.2234E+02  1.2490E+03 -6.1435E+02
HC            1710    1.008000    0.040000
 -1.0623E+00 -6.0386E+00  1.6096E+01
 -1.7062E-01 -1.3940E+01  3.8078E+00
 -6.7045E+02 -2.4755E+03  1.1391E+03
CT            1711   12.011000    0.145000
  9.0866E+00  1.7233E+01  5.2519E+00
 -7.7348E-01  2.1817E+00  6.8439E+00
 -5.0289E+03  3.3504E+03  1.0748E+03
OH            1712    0.000000   -0.683000
  9.7177E+00  1.8451E+01  4.9272E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1713    1.008000    0.418000
  9.0966E+00  1.9135E+01  5.1272E+00
  1.2027E+01  1.9416E+01 -2.3612E+01
  1.9724E+03  4.0019E+02 -6.2106E+01
HC            1714    1.008000    0.040000
  8.9477E+00  1.7008E+01  6.3094E+00
  9.9926E+00 -2.7625E+01  2.8856E+00
  5.1358E+03 -1.9665E+03 -2.1344E+02
HC            1715    1.008000    0.040000
  9.3247E+00  1.6392E+01  4.6009E+00
 -1.0795E+01  5.8543E+00 -1.8580E+00
  1.2466E+03 -5.0570E+02  2.2729E+03
HC            1716    1.008000    0.040000
  8.0116E+00  1.7297E+01  5.0832E+00
  1.9093E+00 -8.4164E-03 -1.3643E+01
  3.7629E+02  1.5094E+03 -3.5069E+03
CT            1717   12.011000    0.145000
  4.3573E+00  7.1948E+00  1.5221E+01
  1.5297E+00  3.2046E+00  1.6380E+00
  3.2198E+03  1.9950E+03 -8.8400E+02
OH            1718    0.000000   -0.683000
  3.6529E+00  7.9971E+00  1.4300E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1719    1.008000    0.418000
  4.2774E+00  8.4725E+00  1.3774E+01
 -2.6540E+00  5.0417E+00  1.3393E+00
  5.3631E+02  1.0679E+03  1.6357E+03
HC            1720    1.008000    0.040000
  5.1657E+00  6.6694E+00  1.4712E+01
  9.3642E+00  1.4566E+01  1.9783E+00
 -1.1527E+03 -1.2535E+03 -2.5911E+02
HC            1721    1.008000    0.040000
  3.7337E+00  6.5275E+00  1.5816E+01
  5.1851E+00  8.8221E+00  1.2030E+01
  1.8342E+02  5.6979E+02  4.8125E+01
HC            1722    1.008000    0.040000
  4.9164E+00  7.8610E+00  1.5878E+01
  5.9650E+00 -7.7421E+00  9.2625E+00
 -9.8192E+02 -7.4110E+02  1.7015E+03
CT            1723   12.011000    0.145000
  7.6228E+00  6.6097E+00 -1.6020E+01
  1.0282E+00 -1.4876E+00  3.7466E+00
  3.4865E+01 -2.5642E+02  9.5597E+02
OH            1724    0.000000   -0.683000
  6.3902E+00  5.9279E+00 -1.5957E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1725    1.008000    0.418000
  6.3031E+00  5.6357E+00 -1.5063E+01
  1.8739E+01  5.1226E+00  3.9372E+00
  2.9255E+03 -1.1058E+03 -3.2726E+02
HC            1726    1.008000    0.040000
  7.8043E+00  7.1863E+00 -1.5113E+01
  7.4166E-01 -1.5962E+01  1.3339E+01
 -2.8885E+02 -1.9303E+03  1.1747E+03
HC            1727    1.008000    0.040000
  7.7556E+00  7.3282E+00 -1.6829E+01
  7.4828E+00 -2.5184E+01 -1.7551E+01
 -2.0856E+03 -2.4800E+03 -1.4843E+03
HC            1728    1.008000    0.040000
  8.4382E+00  5.8977E+00 -1.6148E+01
  8.9908E+00  6.3868E+00  9.4655E+00
  3.2713E+02  3.7547E+02  8.7959E+02
CT            1729   12.011000    0.145000
 -2.9769E+00  1.3218E+00  5.4835E+00
 -1.9160E+00 -5.3630E+00  3.2989E+00
 -2.9227E+03 -3.2590E+03  2.0677E+03
OH            1730    0.000000   -0.683000
 -3.2656E+00  6.8109E-01  4.2611E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1731    1.008000    0.418000
 -2.8156E+00  1.2315E+00  3.6386E+00
 -1.0823E+00  6.9067E+00  5.2023E+00
 -2.2810E+00  9.4566E+02  8.9120E+02
HC            1732    1.008000    0.040000
 -3.9022E+00  1.6749E+00  5.9386E+00
  5.4766E+00  6.1693E+00  9.8890E+00
  3.0503E+02  9.9656E+02 -6.2590E+01
HC            1733    1.008000    0.040000
 -2.3247E+00  2.1879E+00  5.3706E+00
  3.1044E+00 -7.4688E+00  1.4729E+01
  7.0027E+02 -7.7762E+02  2.2494E+03
HC            1734    1.008000    0.040000
 -2.5112E+00  6.4346E-01  6.1984E+00
  1.6570E+01  1.7813E+01  1.4656E+01
  4.9955E+02  1.0421E+03 -2.7183E+02
CT            1735   12.011000    0.145000
 -7.4487E+00 -1.7809E+00  9.3716E-01
  5.8952E+00  9.4545E-01 -2.5102E+00
 -3.8447E+03 -1.1018E+03  4.5641E+03
OH            1736    0.000000   -0.683000
 -7.2400E+00 -3.1753E+00  9.1895E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1737    1.008000    0.418000
 -7.2146E+00 -3.3374E+00 -1.1687E-02
 -4.2100E-01  2.2873E+01 -4.5821E+00
  9.6333E+01 -1.5631E+03  1.0467E+03
HC            1738    1.008000    0.040000
 -8.4671E+00 -1.5929E+00  5.9710E-01
  4.1836E-01 -1.7567E+01  2.4871E+00
  3.3732E+02 -4.5984E+02 -5.8926E+02
HC            1739    1.008000    0.040000
 -6.7672E+00 -1.0928E+00  4.3700E-01
  1.2356E+01 -4.5322E+00 -1.3891E+00
  1.7711E+03 -2.5590E+03 -1.7863E+02
HC            1740    1.008000    0.040000
 -7.5280E+00 -1.5057E+00  1.9889E+00
 -2.4241E+01  1.0418E+01 -6.2971E+00
  1.2357E+03  5.6459E+02 -7.8770E+02
CT            1741   12.011000    0.145000
 -1.8643E+01  1.2094E+01 -7.7219E+00
  4.4190E+00  1.1699E+00  2.3802E+00
  4.3753E+03 -4.0446E+03 -6.1466E+02
OH            1742    0.000000   -0.683000
 -1.9076E+01  1.1386E+01 -6.5820E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1743    1.008000    0.418000
 -1.9787E+01  1.1969E+01 -6.3637E+00
  2.1875E+01  2.9080E+01 -3.3420E-01
  1.9246E+03 -1.3101E+03  3.5411E+03
HC            1744    1.008000    0.040000
 -1.7749E+01  1.1620E+01 -8.1247E+00
 -2.7520E+01 -4.0657E+01 -2.8518E+01
 -2.5188E+03  1.3056E+03  1.1014E+03
HC            1745    1.008000    0.040000
 -1.8575E+01  1.3171E+01 -7.5632E+00
 -1.2757E+01  1.9510E+00  6.4147E+00
  1.7438E+02 -7.6852E+02  1.1356E+03
HC            1746    1.008000    0.040000
 -1.9351E+01  1.1962E+01 -8.5404E+00
 -8.5423E-01 -2.0801E+00  7.3850E+00
 -3.0047E+02 -2.6980E+02  5.6326E+02
CT            1747   12.011000    0.145000
  1.6047E+01 -1.1822E+01 -5.6151E+00
 -1.5623E-01  9.0113E+00  3.5497E+00
  1.0440E+03  1.7160E+03  1.7769E+03
OH            1748    0.000000   -0.683000
  1.7402E+01 -1.1667E+01 -5.9741E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1749    1.008000    0.418000
  1.7908E+01 -1.1951E+01 -5.2281E+00
 -5.7917E+00  1.4608E+01  9.9505E+00
 -5.7124E+02  8.9361E+02  3.6378E+02
HC            1750    1.008000    0.040000
  1.5676E+01 -1.1300E+01 -4.7327E+00
 -2.7311E+01 -1.1471E+01  5.5589E+00
  3.6394E+03 -1.3555E+03  8.7601E+02
HC            1751    1.008000    0.040000
  1.5815E+01 -1.2876E+01 -5.4626E+00
  4.1347E+00  6.9967E+00 -3.3837E+00
  9.8310E+02 -2.4561E+01  5.2071E+00
HC            1752    1.008000    0.040000
  1.5247E+01 -1.1462E+01 -6.2614E+00
  7.5642E+00  8.4882E-01 -1.1081E+01
  3.5796E+03 -1.2045E+02 -4.2770E+03
CT            1753   12.011000    0.145000
 -1.0210E+01 -1.5220E+01  3.2678E+00
  1.2215E+00  3.3808E+00 -3.7360E+00
 -6.4280E+02  1.3539E+03 -1.9896E+03
OH            1754    0.000000   -0.683000
 -1.0068E+01 -1.6287E+01  2.3562E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1755    1.008000    0.418000
 -1.0897E+01 -1.6736E+01  2.4114E+00
 -1.2641E+00  9.8840E-01 -9.3156E+00
  1.3633E+03 -2.4832E+03 -1.2076E+03
HC            1756    1.008000    0.040000
 -1.1213E+01 -1.4802E+01  3.1909E+00
  6.2975E+00  1.7509E+01  3.2889E+00
  2.2550E+02  2.5323E+02  2.3106E+02
HC            1757    1.008000    0.040000
 -9.5130E+00 -1.4441E+01  2.9593E+00
  1.3156E+01 -6.8680E+00 -3.4951E+00
  6.6193E+02  1.1020E+01  1.8987E+03
HC            1758    1.008000    0.040000
 -1.0064E+01 -1.5548E+01  4.2972E+00
  6.9306E+00 -7.0716E+00 -7.7152E+00
  8.5916E+02  1.9458E+02 -4.0585E+02
CT            1759   12.011000    0.145000
 -1.2582E+01 -2.7870E+00  6.3188E+00
  2.4792E-01 -2.7363E+00 -2.1060E+00
  1.4775E+03  3.1533E+02 -8.3237E+02
OH            1760    0.000000   -0.683000
 -1.3219E+01 -2.0539E+00  5.2970E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1761    1.008000    0.418000
 -1.2878E+01 -2.3450E+00  4.4655E+00
 -1.6238E+01  3.6597E+00 -8.3761E+00
 -4.0383E+02 -1.7913E+03  9.2948E+02
HC            1762    1.008000    0.040000
 -1.2707E+01 -2.3346E+00  7.3026E+00
 -6.6401E+00 -6.6413E+00 -1.1235E+00
 -6.7645E+02 -1.3759E+02 -1.3826E+02
HC            1763    1.008000    0.040000
 -1.1527E+01 -2.7239E+00  6.0500E+00
  2.3379E-01  8.1076E+00 -7.2241E-02
  3.8989E+02 -1.2332E+03  1.3220E+03
HC            1764    1.008000    0.040000
 -1.2901E+01 -3.8291E+00  6.3136E+00
  1.8028E+01 -8.6610E+00 -1.7160E+01
  8.1317E+02  3.4297E+02  7.0770E+01
CT            1765   12.011000    0.145000
 -8.0610E+00 -4.4046E+00  1.7108E+01
 -1.2088E-01 -3.2692E+00 -1.0232E+00
 -1.8853E+03  3.1772E+02 -3.0385E+02
OH            1766    0.000000   -0.683000
 -7.8530E+00 -3.9918E+00  1.5776E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1767    1.008000    0.418000
 -7.4451E+00 -4.6932E+00  1.5292E+01
 -4.9300E+00 -7.9676E-01 -3.0690E+00
  2.7808E+03  9.9140E+02  1.1682E+03
HC            1768    1.008000    0.040000
 -7.1491E+00 -4.3348E+00  1.7701E+01
 -8.4371E+00 -5.2505E+00  1.2427E+01
 -6.2431E+02 -1.5728E+03  5.3603E+02
HC            1769    1.008000    0.040000
 -8.5047E+00 -5.3996E+00  1.7073E+01
  2.1526E+00 -5.1385E+00  1.5289E+01
  8.0211E+02 -3.8196E+02  2.5713E+03
HC            1770    1.008000    0.040000
 -8.7952E+00 -3.6726E+00  1.7445E+01
  6.3506E-01 -2.3027E+00 -1.4711E+00
 -1.2686E+02 -1.1655E+03  2.5554E+03
CT            1771   12.011000    0.145000
  1.9316E+01 -1.6303E+01 -1.7398E+01
 -5.3754E+00 -4.9840E+00  2.9435E+00
  3.3059E+02  1.0860E+03 -6.8819E+02
OH            1772    0.000000   -0.683000
  1.8392E+01 -1.5241E+01 -1.7310E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1773    1.008000    0.418000
  1.8532E+01 -1.4653E+01 -1.8037E+01
  7.3759E+00  3.4148E+00  4.0727E+00
  1.5424E+03 -2.5377E+03 -1.5897E+03
HC            1774    1.008000    0.040000
  1.9231E+01 -1.6895E+01 -1.8309E+01
  1.5007E+00  1.7127E+01 -1.2934E+01
 -4.6141E+02  3.7196E+03 -1.9294E+03
HC            1775    1.008000    0.040000
  1.9320E+01 -1.7099E+01 -1.6654E+01
 -2.6280E+01  1.9772E+01  3.2085E+01
 -3.3051E+03  4.1647E+03  3.0488E+03
HC            1776    1.008000    0.040000
  2.0344E+01 -1.5948E+01 -1.7314E+01
  4.6924E+00 -3.4602E+01  1.9732E+01
 -1.0932E+03 -2.2368E+02 -1.3044E+03
CT            1777   12.011000    0.145000
 -5.0752E+00 -3.2208E+00 -1.1212E+01
 -1.0181E+00 -2.6131E-01  3.1807E+00
 -2.0857E+02 -1.1254E+03  2.5358E+03
OH            1778    0.000000   -0.683000
 -6.1432E+00 -4.0436E+00 -1.1625E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1779    1.008000    0.418000
 -6.8226E+00 -4.1497E+00 -1.0977E+01
 -6.3399E-02  4.5519E+00  7.1159E-01
  2.3385E+03  2.8931E+03  2.9164E+03
HC            1780    1.008000    0.040000
 -5.2908E+00 -2.2915E+00 -1.0685E+01
  2.5889E+01  1.2686E+01 -6.7572E+00
 -1.4257E+03 -1.4654E+03 -2.4319E+02
HC            1781    1.008000    0.040000
 -4.3934E+00 -2.8623E+00 -1.1983E+01
 -1.9973E-01  1.0593E+01  8.7563E+00
 -1.2419E+03 -1.3668E+03 -1.1371E+03
HC            1782    1.008000    0.040000
 -4.5020E+00 -3.8500E+00 -1.0531E+01
 -8.9157E+00  9.7964E+00  1.9768E+01
  4.0155E+02  1.2418E+03  5.2995E+02
CT            1783   12.011000    0.145000
 -6.6946E-01  1.8026E+01  1.9330E+01
  6.1591E+00  6.9187E-01  1.1825E-01
 -4.2510E+03 -1.1533E+03  1.7175E+03
OH            1784    0.000000   -0.683000
 -5.1598E-01  1.6642E+01  1.9113E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1785    1.008000    0.418000
 -1.2212E+00  1.6397E+01  1.8534E+01
 -1.6925E+01 -2.5508E+00  2.0453E+01
  9.0051E+02  1.4979E+02  1.6558E+02
HC            1786    1.008000    0.040000
 -5.3106E-01  1.8600E+01  1.8413E+01
  1.8948E+01  6.8782E+00  5.6641E+00
  5.3676E+02  5.2956E+02  8.4634E+02
HC            1787    1.008000    0.040000
 -1.3127E-01  1.8461E+01  2.0172E+01
 -1.4092E+01  1.2246E+01  7.8112E+00
  2.7335E+03 -1.8290E+02 -2.9682E+03
HC            1788    1.008000    0.040000
 -1.6707E+00  1.8121E+01  1.9750E+01
  1.2489E+01 -1.9931E+01  2.2120E+01
  6.7338E+01  4.4180E+02 -1.7375E+03
CT            1789   12.011000    0.145000
  1.0179E+01 -7.6500E+00 -5.6239E-01
  3.3310E+00  1.1679E+00 -4.5117E+00
  7.6124E+02 -1.2533E+03 -4.8119E+03
OH            1790    0.000000   -0.683000
  9.2231E+00 -6.7196E+00 -1.0198E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1791    1.008000    0.418000
  9.6774E+00 -6.1930E+00 -1.6596E+00
 -1.9555E+00 -1.9581E+00 -3.0271E+00
 -1.5017E+03  2.5138E+03  1.0925E+03
HC            1792    1.008000    0.040000
  9.6992E+00 -8.4844E+00 -5.0545E-02
 -3.8273E+00  1.7355E+01  1.6658E+01
  1.3990E+03  1.4752E+03  2.4767E+03
HC            1793    1.008000    0.040000
  1.1006E+01 -7.1452E+00 -6.3359E-02
  4.4650E+00 -3.5550E+00 -1.5491E+00
 -2.9293E+02 -1.8699E+03  1.9920E+03
HC            1794    1.008000    0.040000
  1.0523E+01 -8.0057E+00 -1.5335E+00
 -4.9788E+00  3.1338E+00 -8.2667E+00
  2.1118E+03 -7.0111E+02  7.3510E+02
CT            1795   12.011000    0.145000
  5.2382E+00  9.0699E+00 -1.2757E+01
 -2.8055E+00 -2.6879E+00 -1.0484E+01
 -2.4805E+02  2.3434E+03  1.8807E+03
OH            1796    0.000000   -0.683000
  3.8936E+00  9.3770E+00 -1.2464E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1797    1.008000    0.418000
  3.3660E+00  8.6732E+00 -1.2810E+01
  6.1786E+00  7.0713E+00 -2.6093E+01
  7.0262E+02  7.1521E+02 -5.5638E+02
HC            1798    1.008000    0.040000
  5.8008E+00  8.4158E+00 -1.2091E+01
  1.8951E+01  1.0756E+01 -1.4648E+01
 -3.7327E+03 -2.0247E+03 -6.0733E+02
HC            1799    1.008000    0.040000
  5.9126E+00  9.8993E+00 -1.2544E+01
 -7.7732E+00 -3.9877E+00  1.2979E+01
 -2.8932E+03  1.9962E+03 -7.9376E+02
HC            1800    1.008000    0.040000
  5.4309E+00  8.8020E+00 -1.3796E+01
 -3.3595E+00  9.0562E+00 -1.3760E+01
 -1.3325E+03 -6.5542E+02  3.2137E+02
CT            1801   12.011000    0.145000
 -1.6490E+01 -3.9523E+00  1.4699E+01
  4.2802E-01  1.3763E+00 -2.3806E-01
 -4.4750E+02  1.1978E+03 -3.9370E+03
OH            1802    0.000000   -0.683000
 -1.5189E+01 -4.4092E+00  1.4408E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1803    1.008000    0.418000
 -1.4680E+01 -4.4778E+00  1.5201E+01
  1.5274E+00 -1.7803E+01 -2.1108E+00
 -6.9040E+01 -3.2711E+02 -3.6329E+02
HC            1804    1.008000    0.040000
 -1.6445E+01 -2.9365E+00  1.5092E+01
 -6.2063E+00 -2.0192E+00  9.7163E+00
 -1.0301E+03 -9.6622E+02  2.4875E+03
HC            1805    1.008000    0.040000
 -1.6988E+01 -4.6850E+00  1.5335E+01
  8.4630E-01  1.0387E+01  1.0796E+01
 -7.8439E+02  2.1377E+03  1.3163E+03
HC            1806    1.008000    0.040000
 -1.7046E+01 -3.8841E+00  1.3764E+01
 -4.7977E+00 -2.1753E+01  5.7447E-01
 -4.2138E+02 -1.0730E+03  2.9552E+02
CT            1807   12.011000    0.145000
 -9.8407E-03  8.4715E+00  6.7403E+00
 -5.7256E+00 -4.3131E+00  6.4270E-01
 -6.5284E+02 -3.9705E+02  1.3458E+03
OH            1808    0.000000   -0.683000
  8.1601E-01  7.4690E+00  7.2890E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1809    1.008000    0.418000
  1.0519E+00  7.7205E+00  8.1688E+00
  1.8106E+01  1.0160E+01 -7.2080E+00
 -1.3153E+03  5.0773E+02 -4.2182E+02
HC            1810    1.008000    0.040000
 -1.0634E+00  8.2195E+00  6.6194E+00
 -3.3939E+00 -9.5125E+00 -1.0054E+01
  1.9680E+02 -1.3614E+03  2.7372E+03
HC            1811    1.008000    0.040000
  1.9829E-01  8.7959E+00  5.7208E+00
 -1.0682E+01  1.9582E+01  6.6150E+00
  2.6079E+03  1.2475E+02  1.3555E+03
HC            1812    1.008000    0.040000
  1.1762E-01  9.2725E+00  7.4685E+00
  6.3008E+00 -1.3687E+01  9.2707E+00
 -8.2799E+02  1.5233E+03 -2.1496E+03
CT            1813   12.011000    0.145000
  1.0187E+01  1.1010E+01  9.7353E+00
  1.2966E+00 -9.4978E-01  1.5435E-01
 -1.5453E+02 -8.0103E+02 -2.5874E+03
OH            1814    0.000000   -0.683000
  1.1016E+01  1.2081E+01  9.3420E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1815    1.008000    0.418000
  1.1284E+01  1.2554E+01  1.0115E+01
 -3.1385E+00  1.1187E+01 -5.5506E+00
 -3.2271E+03  7.9709E+02  4.7046E+02
HC            1816    1.008000    0.040000
  1.0658E+01  1.0500E+01  1.0575E+01
  5.5229E+00 -6.8572E+00 -5.6994E+00
 -3.6616E+03  1.5210E+03  2.4428E+03
HC            1817    1.008000    0.040000
  1.0102E+01  1.0194E+01  9.0182E+00
  7.7497E+00  1.0541E+01 -1.4225E+01
  1.6774E+03  1.3197E+03 -1.7122E+03
HC            1818    1.008000    0.040000
  9.1722E+00  1.1396E+01  9.8306E+00
  6.0787E+00  6.2797E+00  3.6275E+01
  8.6991E+02 -8.8654E+02  4.5127E+03
CT            1819   12.011000    0.145000
 -2.2044E+00 -2.3870E+00  8.3439E+00
  4.1901E+00  4.0695E+00 -1.8439E+00
  4.0567E+03  2.5653E+03  6.8519E+02
OH            1820    0.000000   -0.683000
 -2.8777E+00 -1.3776E+00  9.0620E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1821    1.008000    0.418000
 -2.3393E+00 -6.0345E-01  9.0001E+00
  1.4130E+01 -9.9509E+00 -7.1975E+00
  3.5728E+02 -6.0039E+02  1.2354E+03
HC            1822    1.008000    0.040000
 -2.0186E+00 -2.0340E+00  7.3296E+00
 -2.9400E+01  3.2435E+00 -9.4521E+00
 -1.9952E+03 -5.2511E+02  2.5750E+02
HC            1823    1.008000    0.040000
 -2.6684E+00 -3.3718E+00  8.2891E+00
  2.5509E+01 -6.7840E+00  1.9440E+00
 -1.7791E+03  2.0960E+03  7.5677E+01
HC            1824    1.008000    0.040000
 -1.2661E+00 -2.6842E+00  8.8125E+00
 -2.0545E+01  5.5989E-02  5.2872E+01
 -2.9325E+03  2.6733E+03  1.6468E+03
CT            1825   12.011000    0.145000
  4.7182E+00  1.1667E+01  1.5814E+01
  5.9858E+00  3.5906E+00 -1.2642E+00
 -9.2179E+02  1.7155E+03  6.4097E+01
OH            1826    0.000000   -0.683000
  4.7938E+00  1.2008E+01  1.7180E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1827    1.008000    0.418000
  4.2831E+00  1.1328E+01  1.7592E+01
 -2.9072E+00  6.9806E+00  8.2062E+00
 -2.9958E+03  2.2523E+03 -1.4397E+02
HC            1828    1.008000    0.040000
  5.6347E+00  1.1908E+01  1.5275E+01
 -2.0768E+00 -9.4676E+00 -2.2080E+01
 -1.1439E+03 -2.5006E+02 -9.8073E+02
HC            1829    1.008000    0.040000
  3.8553E+00  1.2237E+01  1.5470E+01
  6.6204E-01  4.7636E+00  1.3330E+01
  6.2711E+02 -4.9846E+02 -1.7435E+03
HC            1830    1.008000    0.040000
  4.5016E+00  1.0605E+01  1.5699E+01
  1.1736E+01  2.6506E+00 -3.7671E+00
  9.0047E+02  1.8474E+01 -5.5163E+02
CT            1831   12.011000    0.145000
  1.2528E+01 -1.1138E+01 -1.8442E+01
  1.8434E+00  1.4721E+00  5.2352E+00
 -1.3702E+03 -1.1330E+03 -1.4166E+03
OH            1832    0.000000   -0.683000
  1.1369E+01 -1.0355E+01 -1.8261E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1833    1.008000    0.418000
  1.0694E+01 -1.0837E+01 -1.7808E+01
  4.3033E-01  1.1492E+01  1.3582E+01
  2.9260E+03 -2.0367E+03  1.3968E+03
HC            1834    1.008000    0.040000
  1.3373E+01 -1.0684E+01 -1.8959E+01
 -2.9989E+00  1.5464E+01  9.1554E+00
 -2.2563E+03  2.4195E+03 -1.2275E+03
HC            1835    1.008000    0.040000
  1.2204E+01 -1.1967E+01 -1.9071E+01
  2.1847E+01 -2.0574E+01  2.2163E+01
  2.0416E+03 -1.6568E+03  2.0244E+03
HC            1836    1.008000    0.040000
  1.3043E+01 -1.1533E+01 -1.7567E+01
 -3.0142E+00 -2.2400E+01 -1.9457E+00
 -3.7075E+03 -1.3916E+03  8.2182E+02
CT            1837   12.011000    0.145000
  1.3338E+01 -1.4953E+00  1.3283E+00
 -4.1919E+00  6.7976E+00 -1.3386E-01
  4.5955E+03  1.4324E+03  8.8563E+02
OH            1838    0.000000   -0.683000
  1.3712E+01 -1.3003E+00 -1.7044E-02
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1839    1.008000    0.418000
  1.3207E+01 -6.0794E-01 -4.1547E-01
  2.0177E+01 -1.0141E+01 -5.1000E+01
  3.2413E+03 -1.6348E+03  3.3887E+02
HC            1840    1.008000    0.040000
  1.2262E+01 -1.6261E+00  1.4428E+00
 -2.6672E+00 -2.0801E-01  7.0946E+00
  5.8200E+02 -8.3586E+01  1.0658E+03
HC            1841    1.008000    0.040000
  1.3742E+01 -6.5787E-01  1.8969E+00
 -7.2022E-01  1.7915E+00  4.8808E+00
 -2.4214E+03  1.7886E+03 -6.9147E+02
HC            1842    1.008000    0.040000
  1.3885E+01 -2.2548E+00  1.8864E+00
 -1.5674E+01  7.5665E+00  1.2709E+01
 -1.5193E+03 -2.5309E+03 -2.3403E+03
CT            1843   12.011000    0.145000
 -1.6144E+01  1.5758E+01  5.6938E+00
  6.8228E-01 -4.7851E-01 -5.3142E-01
  3.5524E+02 -1.3591E+03 -3.2469E+03
OH            1844    0.000000   -0.683000
 -1.6653E+01  1.4526E+01  6.1530E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1845    1.008000    0.418000
 -1.6455E+01  1.3902E+01  5.4709E+00
 -3.9714E+00  1.2746E+01 -1.3322E+01
 -6.3408E+02 -6.2977E+01  4.2454E+02
HC            1846    1.008000    0.040000
 -1.6194E+01  1.6634E+01  6.3405E+00
 -1.4443E+01 -1.5016E+01  1.9279E+01
 -2.3896E+03 -2.5122E+03  2.1796E+03
HC            1847    1.008000    0.040000
 -1.6699E+01  1.6027E+01  4.7945E+00
 -5.4496E+00  1.1567E+01  6.5904E+00
  1.5044E+02  2.0765E+02 -1.0785E+01
HC            1848    1.008000    0.040000
 -1.5087E+01  1.5737E+01  5.4286E+00
  4.4548E+00  9.7721E+00  1.2573E+01
 -2.1895E+02 -1.8244E+03  1.9193E+02
CT            1849   12.011000    0.145000
 -1.7035E+01 -2.0275E+01 -1.0805E-01
 -1.1288E-01 -3.6041E-01 -2.6243E+00
  1.4905E+03  4.0470E+02  2.3348E+03
OH            1850    0.000000   -0.683000
 -1.7044E+01 -1.8878E+01 -2.9688E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1851    1.008000    0.418000
 -1.6702E+01 -1.8365E+01  4.1933E-01
  8.8154E+00  1.3861E+01 -1.3505E+01
  7.5778E+02 -3.2445E+03  1.0005E+03
HC            1852    1.008000    0.040000
 -1.7241E+01  2.0250E+01  8.9469E-01
 -1.2118E+01 -3.9326E+00 -6.2455E+00
 -1.7340E+03  2.5449E+03  6.1134E+02
HC            1853    1.008000    0.040000
 -1.6069E+01  2.0146E+01 -2.6532E-01
 -1.5699E+01 -3.3498E+01 -6.0206E+00
 -1.5825E+03  1.0305E+02 -2.5617E+03
HC            1854    1.008000    0.040000
 -1.7821E+01  2.0131E+01 -6.8020E-01
 -1.7155E+00 -2.6106E+01  1.9758E+01
  2.4710E+03 -1.2634E+03 -1.2901E+00
CT            1855   12.011000    0.145000
  1.8130E+01  6.0582E+00  1.4874E+00
  4.8029E-01  8.4939E-01 -4.7180E-01
  1.8132E+03  7.5986E+03 -1.2141E+03
OH            1856    0.000000   -0.683000
  1.9213E+01  5.9420E+00  2.3830E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1857    1.008000    0.418000
  1.9938E+01  5.6534E+00  1.8491E+00
 -7.5405E+00 -1.2437E+01 -3.9335E+00
 -4.0425E+01  1.3512E+03 -2.3279E+02
HC            1858    1.008000    0.040000
  1.8364E+01  6.9588E+00  9.1943E-01
 -1.2566E+01  8.5681E+00  5.9320E+00
  8.5620E+00  7.7070E+02  4.8505E+02
HC            1859    1.008000    0.040000
  1.7224E+01  6.3905E+00  1.9933E+00
 -1.0604E+00  9.1789E+00 -8.4364E+00
 -8.9210E+02 -1.8366E+03 -7.5630E+02
HC            1860    1.008000    0.040000
  1.7997E+01  5.3675E+00  6.5477E-01
  2.0719E+01 -1.7591E+01  1.0543E+01
  8.5479E+02 -3.2565E+03  3.5339E+03
CT            1861   12.011000    0.145000
  4.8470E+00 -1.9223E+01  1.3934E+01
 -7.9625E-01  5.3545E-01 -7.7667E+00
 -2.2445E+03 -9.1994E+01  1.0141E+04
OH            1862    0.000000   -0.683000
  4.8078E+00 -1.7817E+01  1.4042E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1863    1.008000    0.418000
  4.9984E+00 -1.7448E+01  1.4891E+01
 -6.8500E-01 -6.8470E+00  3.2061E+00
 -1.0442E+03 -5.6582E+03  2.7644E+03
HC            1864    1.008000    0.040000
  5.6905E+00 -1.9660E+01  1.4468E+01
 -8.5709E+00  7.8559E+00  1.1382E+01
  1.6786E+03  9.0973E+02 -2.9192E+03
HC            1865    1.008000    0.040000
  4.5418E+00 -1.9740E+01  1.3024E+01
  7.6149E+00  5.1522E+00 -1.3349E+01
  1.5679E+03  2.2675E+03 -1.0269E+03
HC            1866    1.008000    0.040000
  4.1156E+00 -1.9512E+01  1.4688E+01
  4.1849E+00  9.6052E+00  7.7617E-01
 -1.1871E+03 -1.4703E+01 -4.5288E+02
CT            1867   12.011000    0.145000
 -5.2071E+00  1.0406E+01 -1.9175E+01
  9.5574E-01 -8.4950E-01  2.0807E+00
  2.7666E+03 -1.4366E+03  6.6697E+03
OH            1868    0.000000   -0.683000
 -3.9153E+00  1.0727E+01 -1.9640E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1869    1.008000    0.418000
 -3.2418E+00  1.0681E+01 -1.8979E+01
 -2.6273E+01  1.4689E+01  3.0561E+01
 -4.7572E+03 -1.7358E+03  2.9668E+03
HC            1870    1.008000    0.040000
 -5.9269E+00  1.0050E+01 -1.9912E+01
  7.1506E+00 -4.1149E+00 -2.4867E+00
  8.4792E+02  1.0874E+03 -5.4824E+02
HC            1871    1.008000    0.040000
 -5.5654E+00  1.1280E+01 -1.8631E+01
 -1.2044E+01 -9.9087E+00  8.6250E+00
 -9.5630E+02 -4.4268E+02 -1.5741E+02
HC            1872    1.008000    0.040000
 -5.0534E+00  9.6404E+00 -1.8414E+01
 -1.6345E+01  9.7985E+00  1.7142E+01
 -2.0548E+03 -3.7635E+02  5.6048E+01
CT            1873   12.011000    0.145000
 -1.5201E+01 -1.3624E+01 -1.7744E+01
 -4.8556E-01 -2.6742E-01  1.1431E+00
 -5.2760E+02 -3.4961E+02  2.2720E+03
OH            1874    0.000000   -0.683000
 -1.5717E+01 -1.2315E+01 -1.7659E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1875    1.008000    0.418000
 -1.5346E+01 -1.1951E+01 -1.6870E+01
  1.2354E+01  1.9488E+00 -6.4719E+00
 -1.2073E+03  2.8249E+03 -1.0316E+03
HC            1876    1.008000    0.040000
 -1.5652E+01 -1.4185E+01 -1.8562E+01
 -1.5564E+01  3.4597E+01 -1.6588E+01
 -3.0356E+02  2.0802E+03  7.3201E+02
HC            1877    1.008000    0.040000
 -1.5377E+01 -1.4068E+01 -1.6764E+01
  9.8011E+00  2.3164E+01  1.4461E+01
 -8.2432E+02 -9.1316E+01 -9.3774E+02
HC            1878    1.008000    0.040000
 -1.4125E+01 -1.3744E+01 -1.7875E+01
 -4.2665E+00 -1.6362E+01 -2.1019E+01
 -6.8378E+02  2.2349E+03 -7.0819E+02
CT            1879   12.011000    0.145000
  7.1846E+00  1.7550E+01 -8.0304E+00
 -1.1252E+00 -2.0689E+00 -4.0109E+00
 -4.7170E+01 -2.4032E+03 -2.2577E+03
OH            1880    0.000000   -0.683000
  8.4170E+00  1.7958E+01 -8.5810E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1881    1.008000    0.418000
  8.3018E+00  1.7792E+01 -9.5042E+00
  1.1216E+01 -1.3544E+00 -1.2971E+00
  2.6393E+03  2.0349E+03 -6.4800E+02
HC            1882    1.008000    0.040000
  6.3726E+00  1.8195E+01 -8.3668E+00
  1.0685E+01  1.9626E+01  6.8818E+00
  1.0853E+03  1.8269E+03  2.3193E+03
HC            1883    1.008000    0.040000
  7.2097E+00  1.7373E+01 -6.9552E+00
  6.5637E+00 -1.8733E+00 -4.1028E+00
  3.5944E+02  2.7086E+03  2.2187E+02
HC            1884    1.008000    0.040000
  6.7950E+00  1.6592E+01 -8.3733E+00
 -1.5246E+01 -5.6782E-01  6.9035E+00
  2.8307E+03 -5.9354E+02 -7.7456E+02
CT            1885   12.011000    0.145000
  5.3534E+00  6.9530E+00  1.9458E+01
  1.7336E+00  3.4414E-01 -1.4150E+00
 -1.1054E+03  3.0615E+02 -7.9303E+02
OH            1886    0.000000   -0.683000
  5.2483E+00  5.6206E+00  1.9008E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1887    1.008000    0.418000
  4.7078E+00  5.2048E+00  1.9663E+01
 -5.1502E+00 -1.8274E+01 -1.4976E+01
  7.4056E+02 -3.2773E+03 -1.9004E+03
HC            1888    1.008000    0.040000
  6.1230E+00  7.5669E+00  1.8990E+01
  1.7909E+00  1.7629E+01  1.9764E+01
  5.8648E+02 -1.3955E+03  8.5316E+02
HC            1889    1.008000    0.040000
  5.5026E+00  6.9152E+00 -2.0363E+01
  5.0310E+00 -3.9840E+00 -1.9947E+00
  1.6588E+03  9.2137E+02 -3.0511E+02
HC            1890    1.008000    0.040000
  4.4471E+00  7.5427E+00  1.9320E+01
  5.5030E+00  7.1699E+00  2.4711E+00
 -6.9914E+02 -1.2077E+03 -4.2328E+02
CT            1891   12.011000    0.145000
 -1.6343E+01  2.1042E+00  1.9566E+01
  1.3858E+00 -9.0737E-01 -1.8900E+00
 -1.1804E+03  1.3710E+03  2.5516E+03
OH            1892    0.000000   -0.683000
 -1.6459E+01  3.3373E+00  1.8892E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1893    1.008000    0.418000
 -1.6211E+01  4.0953E+00  1.9399E+01
 -2.4847E+01  1.2334E+01 -4.7043E+00
  2.6007E+03 -2.6086E+03  2.2627E+02
HC            1894    1.008000    0.040000
 -1.5324E+01  1.8230E+00  1.9832E+01
 -4.6328E+00 -9.0332E+00  1.3875E+01
 -2.2383E+02  8.4482E+01 -9.3598E+02
HC            1895    1.008000    0.040000
 -1.6802E+01  1.3269E+00  1.8955E+01
  1.1540E+01 -7.1813E+00 -1.7655E+00
  1.1154E+03 -5.7602E+02  3.1375E+02
HC            1896    1.008000    0.040000
 -1.6856E+01  2.2204E+00 -2.0380E+01
  1.4975E+01  3.7829E+01  2.4856E+00
  5.9149E+02  2.6054E+02 -1.2001E+03
CT            1897   12.011000    0.145000
 -1.5608E+01  7.4119E+00  1.2363E+01
  1.7388E-01  8.9322E-01 -1.5709E+00
  2.5530E+03 -2.1857E+03 -2.4442E+03
OH            1898    0.000000   -0.683000
 -1.6706E+01  6.7001E+00  1.1839E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1899    1.008000    0.418000
 -1.7052E+01  6.0238E+00  1.2401E+01
  7.2607E+00 -1.7221E+01 -1.5215E+01
  3.0812E+03  1.8379E+03  2.6422E+03
HC            1900    1.008000    0.040000
 -1.4907E+01  6.6854E+00  1.2775E+01
 -2.0414E+01 -4.2676E+00  2.7530E+01
 -9.0701E+02  1.4244E+03  2.1228E+03
HC            1901    1.008000    0.040000
 -1.5785E+01  8.2340E+00  1.3057E+01
  7.6763E+00  4.4062E+00 -3.7113E+00
 -1.2761E+03 -1.7967E+03  1.0882E+03
HC            1902    1.008000    0.040000
 -1.5093E+01  7.9086E+00  1.1541E+01
  8.8885E+00  1.3684E+01  1.1122E+01
 -4.9877E+02  3.9590E+02  1.6325E+02
CT            1903   12.011000    0.145000
 -6.5256E+00 -1.2549E+01  1.8452E+00
  1.3026E+00 -2.4644E+00  2.7802E+00
  2.6518E+03 -1.5641E+03  1.9262E+03
OH            1904    0.000000   -0.683000
 -6.5273E+00 -1.1491E+01  2.7778E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1905    1.008000    0.418000
 -7.2650E+00 -1.1467E+01  3.3679E+00
  7.1319E-01  1.0166E+01  6.4661E-01
 -1.3025E+03 -2.1610E+03 -1.9145E+03
HC            1906    1.008000    0.040000
 -6.9372E+00 -1.2272E+01  8.7460E-01
  2.5205E+00  8.1210E+00  5.1580E+00
 -4.6105E+02  2.3408E+02  6.6374E+02
HC            1907    1.008000    0.040000
 -6.9588E+00 -1.3472E+01  2.2285E+00
 -2.6587E+00 -1.2618E+00  1.2523E+00
 -1.0135E+03  4.6522E+02  1.9935E+02
HC            1908    1.008000    0.040000
 -5.4532E+00 -1.2708E+01  1.7330E+00
  4.5881E+00  2.0557E+01 -3.7994E+00
 -6.2155E+02 -5.6021E+02 -2.0064E+03
CT            1909   12.011000    0.145000
 -7.3979E+00 -1.8495E+01  1.4429E+01
  8.4179E-02 -3.6373E+00 -3.2908E+00
 -5.2920E+02 -7.7958E+02 -1.0029E+03
OH            1910    0.000000   -0.683000
 -8.3183E+00 -1.9220E+01  1.5214E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1911    1.008000    0.418000
 -7.9907E+00 -1.9261E+01  1.6099E+01
  6.2531E+00  2.5405E+01 -3.6205E-01
  1.8983E+03  1.2545E+03 -1.2392E+03
HC            1912    1.008000    0.040000
 -6.4396E+00 -1.8989E+01  1.4269E+01
 -6.7382E-01 -7.8321E+00  4.6431E+00
 -1.1237E+03 -2.6376E+03  1.4450E+03
HC            1913    1.008000    0.040000
 -7.0411E+00 -1.7548E+01  1.4835E+01
 -2.0179E-01 -1.5697E+01  2.7815E+01
 -4.0062E+03 -7.7842E+02  3.2916E+03
HC            1914    1.008000    0.040000
 -7.7724E+00 -1.8265E+01  1.3431E+01
  7.3522E+00  2.2963E+01 -6.5781E-01
 -5.4598E+02 -3.6904E+02  8.4919E+02
CT            1915   12.011000    0.145000
  1.2042E+01 -1.3295E+01 -1.3621E+01
 -6.3390E+00  2.4814E-01 -7.3267E-02
 -3.1666E+03  2.1211E+03 -3.4192E+02
OH            1916    0.000000   -0.683000
  1.2065E+01 -1.3298E+01 -1.5031E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1917    1.008000    0.418000
  1.2756E+01 -1.3882E+01 -1.5303E+01
 -7.4341E-01  2.7985E+00 -8.1725E+00
  1.6160E+02  9.4658E+00  7.6742E+02
HC            1918    1.008000    0.040000
  1.1142E+01 -1.2797E+01 -1.3261E+01
 -1.6080E+01 -1.0487E+01 -8.7970E+00
  4.4557E+02  1.1674E+03 -5.7294E+02
HC            1919    1.008000    0.040000
  1.2919E+01 -1.2759E+01 -1.3258E+01
 -9.5380E+00 -1.3848E+01  3.1814E+01
 -2.2640E+02 -2.9264E+03  2.2551E+03
HC            1920    1.008000    0.040000
  1.1858E+01 -1.4312E+01 -1.3275E+01
 -2.5498E+01  2.4666E+00 -2.6369E+00
  3.4054E+03  5.8130E+02  1.0838E+03
CT            1921   12.011000    0.145000
 -9.9883E+00  1.3945E+01  1.4864E+01
 -2.5691E-01 -9.1861E-01  5.2471E+00
 -4.4461E+03 -2.3160E+03  7.8962E+02
OH            1922    0.000000   -0.683000
 -1.0666E+01  1.5169E+01  1.5040E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1923    1.008000    0.418000
 -1.0019E+01  1.5857E+01  1.5047E+01
 -2.8637E+01  3.0177E+01  2.6334E+01
 -2.4526E+03 -8.0684E+02  1.3584E+03
HC            1924    1.008000    0.040000
 -9.3545E+00  1.3828E+01  1.5744E+01
 -3.9920E+00 -1.0089E+01  6.8380E+00
  1.8833E+03 -1.3176E+03 -1.8526E+03
HC            1925    1.008000    0.040000
 -9.5120E+00  1.4023E+01  1.3887E+01
 -7.4578E+00  1.1992E+01  2.5373E+00
  1.8364E+03 -9.4545E+02  1.4511E+03
HC            1926    1.008000    0.040000
 -1.0737E+01  1.3154E+01  1.4913E+01
 -2.8847E+01  2.4860E+01  4.1351E+01
  1.2232E+03  1.7921E+03  4.0685E+02
CT            1927   12.011000    0.145000
  3.5750E+00  1.9240E+01 -2.8569E+00
  7.5287E-01  1.1687E+00  1.7869E+00
  1.9682E+03  1.1086E+03  4.3225E+03
OH            1928    0.000000   -0.683000
  2.3121E+00  1.9112E+01 -2.2433E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1929    1.008000    0.418000
  2.3342E+00  1.9251E+01 -1.3090E+00
 -6.5109E-01  1.8883E+01 -2.4226E+00
  4.5362E+03 -1.3091E+03 -4.6428E+02
HC            1930    1.008000    0.040000
  3.4651E+00  1.9071E+01 -3.9280E+00
  9.5967E-01  1.8034E+01 -1.1812E+00
  1.9327E+03  5.2079E+02  3.6743E+02
HC            1931    1.008000    0.040000
  4.2209E+00  1.8519E+01 -2.3561E+00
 -1.9562E+01 -2.3141E+01 -4.9295E+00
  2.6410E+02  6.5066E+01 -1.8283E+03
HC            1932    1.008000    0.040000
  3.9156E+00  2.0248E+01 -2.6187E+00
  2.9743E+01 -9.0327E+00  7.5937E+00
  1.4645E+03 -7.4487E+02 -1.5506E+03
CT            1933   12.011000    0.145000
 -9.9369E-01 -1.0242E+01  1.8850E+01
  1.1348E+00 -2.1617E+00 -4.2557E+00
 -5.4180E+03  2.0074E+03  1.4158E+03
OH            1934    0.000000   -0.683000
 -7.4049E-01 -8.9770E+00  1.8281E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1935    1.008000    0.418000
 -4.5298E-01 -9.1785E+00  1.7403E+01
  4.1406E+00  1.4253E+01 -2.1730E+00
  2.9610E+03  1.8361E+03  6.6719E+02
HC            1936    1.008000    0.040000
 -1.5346E-01 -1.0883E+01  1.9116E+01
 -1.6075E+00 -2.3356E-01  9.8127E+00
  5.8122E+02  1.5412E+03 -8.7847E+02
HC            1937    1.008000    0.040000
 -1.7304E+00 -1.0790E+01  1.8263E+01
 -3.3762E+00  1.6964E+01 -1.7425E+01
  1.6576E+03  4.7910E+02 -1.9970E+03
HC            1938    1.008000    0.040000
 -1.5665E+00 -1.0089E+01  1.9765E+01
  1.5720E+01  1.0012E+01  3.2975E+00
  1.9800E+03  1.0272E+03  1.2606E+03
CT            1939   12.011000    0.145000
 -7.8205E+00 -1.1364E+01  1.6542E+01
 -3.2966E+00  2.5558E+00  5.6864E+00
 -6.0626E+02 -1.8967E+03  2.8980E+02
OH            1940    0.000000   -0.683000
 -6.7968E+00 -1.1884E+01  1.7360E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1941    1.008000    0.418000
 -7.0015E+00 -1.1661E+01  1.8256E+01
  8.9079E-02 -2.8303E+01  8.0201E+00
  1.8031E+03  1.2310E+03 -1.0746E+03
HC            1942    1.008000    0.040000
 -8.6124E+00 -1.0833E+01  1.7070E+01
  7.4314E-01 -6.9212E-01  1.5227E+01
  2.0133E+03  8.7277E+02  2.0020E+03
HC            1943    1.008000    0.040000
 -8.3953E+00 -1.2139E+01  1.6036E+01
  1.4541E+01  5.5507E+00 -2.1257E+01
  2.5893E+03 -5.7902E+02 -7.2514E+02
HC            1944    1.008000    0.040000
 -7.4391E+00 -1.0725E+01  1.5745E+01
 -6.0628E-01 -1.2160E+01 -5.2573E+00
  5.6178E+02 -8.5196E+02  1.4623E+02
CT            1945   12.011000    0.145000
  1.2857E+00 -4.6798E+00 -3.8649E+00
 -1.9539E-01 -3.6197E+00  7.6346E-01
  8.4179E+01  2.8402E+03  9.2686E+01
OH            1946    0.000000   -0.683000
 -1.1268E-01 -4.5701E+00 -3.7209E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1947    1.008000    0.418000
 -2.8103E-01 -4.5190E+00 -2.7925E+00
 -1.6307E+01 -2.4254E+01 -6.9898E-01
  5.0489E+02 -2.8556E+03 -4.3315E+02
HC            1948    1.008000    0.040000
  1.8059E+00 -4.8483E+00 -2.9220E+00
 -1.3415E+01 -4.1996E+00  8.1977E+00
 -2.0974E+03 -1.1264E+03  8.1081E+02
HC            1949    1.008000    0.040000
  1.7863E+00 -3.7773E+00 -4.2155E+00
  1.3142E+01 -6.4896E+00  1.1559E+01
 -2.6702E+03  1.7681E+03  1.3486E+03
HC            1950    1.008000    0.040000
  1.7636E+00 -5.3081E+00 -4.6164E+00
  8.4669E+00  7.1776E+00 -3.0298E+00
 -4.3176E+03 -2.5264E+03  2.7923E+02
CT            1951   12.011000    0.145000
 -1.8778E+01  2.0319E+01  1.2071E+01
 -8.8466E-01 -2.2646E-01  6.3967E+00
 -2.7694E+03  2.9768E+03  1.4392E+03
OH            1952    0.000000   -0.683000
 -1.9915E+01  1.9508E+01  1.1878E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1953    1.008000    0.418000
 -1.9697E+01  1.8952E+01  1.1146E+01
  1.8206E-01 -9.2313E+00  6.8917E+00
  1.7670E+02  1.0626E+03 -4.9641E+02
HC            1954    1.008000    0.040000
 -1.8494E+01 -2.0218E+01  1.1083E+01
 -7.4456E+00 -9.1107E+00  1.0934E+00
  9.7517E+02  2.0446E+02  6.4890E+02
HC            1955    1.008000    0.040000
 -1.7928E+01  1.9920E+01  1.2624E+01
 -8.6449E+00 -2.7004E+01  4.7553E-01
 -9.9622E+02 -3.9366E+03 -2.3312E+03
HC            1956    1.008000    0.040000
 -1.9009E+01 -1.9689E+01  1.2652E+01
 -3.6844E+00  1.5854E+01 -1.7913E+01
 -2.1021E+03  3.4658E+00 -1.4746E+03
CT            1957   12.011000    0.145000
 -8.6675E+00 -1.8132E+01 -7.9520E+00
  5.1357E-01  5.2918E+00  1.5093E+00
  2.3934E+03  2.7764E+03  5.1421E+02
OH            1958    0.000000   -0.683000
 -8.3462E+00 -1.8543E+01 -6.6419E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1959    1.008000    0.418000
 -8.5769E+00 -1.9453E+01 -6.5403E+00
  4.5097E+01 -1.3110E+01  7.0588E+00
  8.7227E+02  2.1727E+03 -8.4918E+02
HC            1960    1.008000    0.040000
 -7.7698E+00 -1.7859E+01 -8.5068E+00
  1.0745E+01 -1.4640E+00  1.4178E+01
  7.9576E+02 -2.0271E+03  3.0089E+02
HC            1961    1.008000    0.040000
 -9.1518E+00 -1.7157E+01 -7.8984E+00
  1.6644E+00  5.5037E+00  9.1765E+00
 -3.1788E+03 -1.5428E+03 -5.1747E+02
HC            1962    1.008000    0.040000
 -9.1517E+00 -1.8962E+01 -8.4658E+00
  1.9715E+01 -3.8234E+00 -2.7676E+00
 -1.2107E+03  2.2610E+03 -6.2430E+02
CT            1963   12.011000    0.145000
  1.4590E+01 -1.9083E+01 -1.6842E+01
 -3.9511E+00 -2.6302E+00  1.7498E+00
 -3.3922E+03 -2.4423E+02  4.1534E+03
OH            1964    0.000000   -0.683000
  1.5470E+01 -1.9913E+01 -1.6118E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1965    1.008000    0.418000
  1.5711E+01 -1.9496E+01 -1.5305E+01
 -8.6305E+00 -5.7968E+00  5.7164E+00
 -1.0239E+03  2.1078E+03 -1.0148E+03
HC            1966    1.008000    0.040000
  1.4982E+01 -1.8730E+01 -1.7796E+01
 -5.5410E+00 -1.0397E+01 -1.8603E+00
  2.4429E+01  5.8347E+02  8.0978E+02
HC            1967    1.008000    0.040000
  1.4260E+01 -1.8319E+01 -1.6138E+01
 -8.6453E+00 -6.0274E+00  3.2906E+00
  1.3647E+03  2.2846E+03 -1.5715E+03
HC            1968    1.008000    0.040000
  1.3628E+01 -1.9578E+01 -1.6981E+01
 -8.5014E+00  5.4266E+00  3.9151E+00
  6.5637E+02 -8.0219E+02 -2.1517E+03
CT            1969   12.011000    0.145000
  1.1406E+01 -4.1831E+00 -2.3388E+00
  2.1908E-01  1.6925E+00 -1.4485E+00
 -6.3150E+02 -3.0180E+03  2.9666E+03
OH            1970    0.000000   -0.683000
  1.0145E+01 -4.4937E+00 -2.8889E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1971    1.008000    0.418000
  9.8436E+00 -3.6141E+00 -3.0573E+00
 -5.2386E+00 -4.1078E+00 -1.3405E+01
 -3.0666E+03 -1.2458E+03 -6.6445E+01
HC            1972    1.008000    0.040000
  1.1221E+01 -3.6846E+00 -1.3871E+00
  2.4285E+00 -3.5173E+00  1.7533E+00
  1.3032E+03  3.1662E+02  1.6288E+02
HC            1973    1.008000    0.040000
  1.2016E+01 -3.5403E+00 -2.9733E+00
  3.0397E+00  5.4428E+00  4.9631E+00
  4.9340E+02 -1.1239E+03  1.6531E+01
HC            1974    1.008000    0.040000
  1.1831E+01 -5.1656E+00 -2.1328E+00
  8.1260E+00  5.4844E+00  7.3291E-01
  3.1976E+03  1.0996E+03  7.2018E+01
CT            1975   12.011000    0.145000
 -1.1565E+01 -1.9990E+01  1.3538E+01
  3.3417E-02 -3.5089E+00  3.7724E+00
  1.2743E+03  3.4204E+03  4.3961E+03
OH            1976    0.000000   -0.683000
 -1.0180E+01 -2.0173E+01  1.3349E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1977    1.008000    0.418000
 -9.6108E+00 -1.9778E+01  1.3991E+01
 -2.2780E-01  4.2951E-01 -6.1221E-02
 -2.6970E+03  3.0245E+02  2.1672E+03
HC            1978    1.008000    0.040000
 -1.1660E+01 -1.8976E+01  1.3926E+01
  2.0652E+01 -6.1558E+00  1.7353E+01
 -1.8516E+02  2.8615E+02 -1.6714E+03
HC            1979    1.008000    0.040000
 -1.2103E+01  2.0400E+01  1.4337E+01
 -1.6153E+01  5.6688E+00 -7.9769E-01
  3.2364E+03 -1.9854E+03  1.6944E+02
HC            1980    1.008000    0.040000
 -1.2230E+01 -2.0166E+01  1.2693E+01
 -2.1726E+01  1.4345E+01  1.6043E+01
  1.7078E+03  1.5062E+03  6.8140E+01
CT            1981   12.011000    0.145000
  1.6151E+01  1.0452E+01  1.4815E+01
  3.6065E-01 -1.2873E+00 -5.6147E-01
 -1.2290E+03 -1.2839E+03 -1.8422E+03
OH            1982    0.000000   -0.683000
  1.5356E+01  9.8079E+00  1.5785E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1983    1.008000    0.418000
  1.5952E+01  9.3256E+00  1.6337E+01
  6.9017E+00  3.1047E+00 -4.5857E+00
  2.0043E+03  6.6156E+02 -1.5829E+03
HC            1984    1.008000    0.040000
  1.6895E+01  9.7624E+00  1.4416E+01
  3.2874E+00  1.0888E+01 -1.7265E+01
  1.6805E+03  1.5007E+03  1.5791E+03
HC            1985    1.008000    0.040000
  1.6571E+01  1.1334E+01  1.5298E+01
  6.0229E+00 -6.6996E+00  4.5800E+00
  1.9193E+03 -3.6189E+02 -1.6145E+03
HC            1986    1.008000    0.040000
  1.5682E+01  1.0655E+01  1.3852E+01
  2.0300E+01 -2.7695E+01 -1.7265E+01
 -1.6363E+03  6.6805E+02  2.6204E+03
CT            1987   12.011000    0.145000
  8.4397E+00  1.1863E+01 -1.0102E+01
  2.3491E+00 -3.2858E+00  2.2905E+00
  1.7203E+03 -1.8391E+03  4.9428E+02
OH            1988    0.000000   -0.683000
  7.6965E+00  1.0870E+01 -1.0774E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1989    1.008000    0.418000
  8.0652E+00  1.0876E+01 -1.1644E+01
  2.1279E+01 -2.4072E+00  8.3947E+00
 -3.1530E+03  1.9716E+03 -3.3603E+02
HC            1990    1.008000    0.040000
  9.0298E+00  1.1218E+01 -9.4510E+00
  2.8958E+01  8.3547E+00 -8.8110E+00
  1.7822E+03  3.7309E+03  1.3061E+03
HC            1991    1.008000    0.040000
  7.8374E+00  1.2603E+01 -9.5755E+00
 -1.6167E+01 -2.8873E+01  1.9513E+01
  2.0198E+02 -1.4138E+03 -4.3170E+02
HC            1992    1.008000    0.040000
  9.0657E+00  1.2257E+01 -1.0903E+01
  8.1771E+00  7.9844E+00  1.2084E+01
  2.1690E+03  7.8831E+02  2.2187E+03
CT            1993   12.011000    0.145000
  1.7650E+01 -4.0704E-01 -1.1112E+01
 -4.3690E-01  1.0305E-02 -4.8518E-02
  8.9481E+02 -2.3038E+03 -1.5236E+03
OH            1994    0.000000   -0.683000
  1.7797E+01  4.0416E-01 -1.2256E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            1995    1.008000    0.418000
  1.8436E+01  2.6934E-02 -1.2842E+01
 -1.8908E+01 -1.3206E+01 -1.3340E+01
  6.0771E+02  7.4819E+02  1.7197E+03
HC            1996    1.008000    0.040000
  1.7627E+01 -1.3726E+00 -1.1618E+01
  3.7882E+01  4.0845E+00 -1.2912E+01
 -4.8326E+02 -2.8399E+02  4.0287E+03
HC            1997    1.008000    0.040000
  1.6739E+01 -1.7536E-02 -1.0658E+01
 -2.1067E+00 -7.1688E+00  2.8961E+00
  5.9444E+02 -2.2762E+03  2.7009E+03
HC            1998    1.008000    0.040000
  1.8595E+01 -2.6433E-01 -1.0588E+01
  7.2143E+00 -4.4483E+00 -1.2180E+01
 -1.2366E+03 -1.7285E+03  1.9676E+03
CT            1999   12.011000    0.145000
 -7.6640E+00  1.9284E+01  2.0033E+01
  1.5326E+00  1.3825E+00 -2.1294E-01
  3.9459E+03  2.4161E+03 -2.8118E+02
OH            2000    0.000000   -0.683000
 -7.7429E+00  1.9581E+01 -1.9491E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2001    1.008000    0.418000
 -7.0624E+00  2.0180E+01 -1.9225E+01
  4.4508E+00 -1.5396E+01  2.7123E+01
  4.5324E+02 -1.4375E+03 -2.3307E+03
HC            2002    1.008000    0.040000
 -7.9792E+00  2.0190E+01  1.9514E+01
 -1.4667E+01 -5.2627E+00 -2.5657E+00
 -3.4563E+03 -7.4646E+02  7.8181E+02
HC            2003    1.008000    0.040000
 -8.2297E+00  1.8440E+01  1.9638E+01
  1.5663E+01 -7.5168E+00 -2.1539E+00
 -4.4610E+02  3.7282E+02  1.6240E+03
HC            2004    1.008000    0.040000
 -6.5999E+00  1.9177E+01  1.9823E+01
  1.1797E+01  1.1695E+01  3.8337E+01
 -1.3062E+03 -1.3665E+03  7.4738E+02
CT            2005   12.011000    0.145000
 -1.3832E+01 -3.8712E+00 -1.6457E+01
 -4.2841E+00 -6.4072E-01 -4.4890E+00
 -1.1138E+03 -5.5335E+03  1.7589E+03
OH            2006    0.000000   -0.683000
 -1.2851E+01 -4.4236E+00 -1.7306E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2007    1.008000    0.418000
 -1.2485E+01 -5.2281E+00 -1.6972E+01
  9.2226E+00 -2.0571E+00 -1.4172E+01
 -2.4653E+03  4.4370E+02  2.1740E+03
HC            2008    1.008000    0.040000
 -1.4118E+01 -2.8367E+00 -1.6647E+01
 -1.2847E+01 -3.3988E+00 -7.0710E+00
 -1.1892E+02 -9.6601E+02 -2.1852E+03
HC            2009    1.008000    0.040000
 -1.3650E+01 -3.9478E+00 -1.5386E+01
 -5.2467E+00 -1.2225E+01 -5.0277E+00
  2.7641E+03 -3.2811E+02 -4.8669E+02
HC            2010    1.008000    0.040000
 -1.4665E+01 -4.5714E+00 -1.6525E+01
 -3.4405E+00 -3.4646E+00  1.0761E+01
 -1.7639E+03  2.0670E+03 -5.1591E+02
CT            2011   12.011000    0.145000
  3.1020E+00 -1.2723E+01  9.2519E+00
 -4.4455E+00 -4.9083E-01  5.4143E+00
 -3.3905E+03 -2.8738E+03  3.9269E+03
OH            2012    0.000000   -0.683000
  2.0261E+00 -1.2843E+01  8.3485E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2013    1.008000    0.418000
  1.5989E+00 -1.3685E+01  8.3087E+00
  6.1213E-01 -3.7758E-01  1.3474E+00
  2.7935E+03 -1.5300E+03  2.7117E+03
HC            2014    1.008000    0.040000
  2.5955E+00 -1.3044E+01  1.0162E+01
  3.5231E+00  7.3749E+00  1.2820E+01
  2.6837E+03  7.3200E+02  2.2968E+03
HC            2015    1.008000    0.040000
  3.3399E+00 -1.1660E+01  9.2970E+00
  3.5072E+00 -1.9594E+00  1.2870E-01
  2.4434E+03 -8.9872E+02  7.8586E+02
HC            2016    1.008000    0.040000
  3.9208E+00 -1.3405E+01  9.0239E+00
 -1.4021E+01 -9.2076E+00 -4.0136E+00
  2.5664E+02  1.0974E+03 -4.0105E+02
CT            2017   12.011000    0.145000
 -4.3953E+00 -1.9907E+01  1.2328E+01
  3.0307E+00  9.6806E+00  6.2498E-01
  2.3101E+03  1.6300E+03 -2.6990E+03
OH            2018    0.000000   -0.683000
 -5.3167E+00 -1.9564E+01  1.1317E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2019    1.008000    0.418000
 -4.9483E+00 -1.8889E+01  1.0768E+01
 -3.3032E+01  2.7734E+01  8.4005E+00
 -1.7402E+03 -2.6298E+02  1.6091E+03
HC            2020    1.008000    0.040000
 -3.9739E+00  2.0062E+01  1.1948E+01
  1.7138E+01  1.2461E+01  8.7341E+00
  3.3878E+03  8.3668E+02  1.7360E+03
HC            2021    1.008000    0.040000
 -4.8050E+00 -2.0096E+01  1.3320E+01
 -5.5041E-02  3.1832E-01 -2.3224E+00
 -3.5751E+02 -3.3678E+02 -6.2364E+02
HC            2022    1.008000    0.040000
 -3.6183E+00 -1.9147E+01  1.2412E+01
  1.0739E+01  7.7834E-02  2.5289E+01
  4.3355E+02 -1.0312E+03  1.0115E+03
CT            2023   12.011000    0.145000
 -6.3297E+00  1.3351E+01 -6.7734E+00
  3.6454E+00 -4.3965E+00 -5.6672E+00
 -3.8726E+03  4.9927E+03  5.2360E+03
OH            2024    0.000000   -0.683000
 -6.1483E+00  1.4515E+01 -7.5483E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2025    1.008000    0.418000
 -6.9364E+00  1.5023E+01 -7.6665E+00
 -7.8310E+00 -4.7544E+00  2.5545E+01
 -2.3321E+03 -4.1447E+03  1.6953E+03
HC            2026    1.008000    0.040000
 -7.2869E+00  1.2882E+01 -7.0017E+00
 -7.4573E-01 -5.0828E+00  1.2601E+01
  3.1483E+02  3.3221E+02 -2.3336E+02
HC            2027    1.008000    0.040000
 -6.4230E+00  1.3804E+01 -5.7864E+00
 -2.2592E+01  7.0165E+00 -1.2511E+01
 -3.2632E+03 -3.9174E+02 -7.9886E+01
HC            2028    1.008000    0.040000
 -5.5905E+00  1.2589E+01 -6.5259E+00
  2.4222E+00 -6.9879E+00 -9.8871E+00
  2.1363E+03  1.0315E+03 -5.1269E+03
CT            2029   12.011000    0.145000
  1.6371E+01 -7.4065E+00  1.2465E+01
 -3.0427E+00  1.6529E+00 -2.4464E+00
 -1.0500E+03 -4.1629E+03 -1.5196E+03
OH            2030    0.000000   -0.683000
  1.5437E+01 -7.6021E+00  1.3503E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2031    1.008000    0.418000
  1.5624E+01 -8.3328E+00  1.4072E+01
 -4.0525E+00 -1.3223E+01 -1.4915E+01
  5.7114E+03 -1.8848E+03 -4.7212E+03
HC            2032    1.008000    0.040000
  1.6654E+01 -8.3331E+00  1.1966E+01
  3.9341E+00  6.7643E+00 -8.1962E+00
 -8.9508E+01 -8.0706E+02  1.0157E+03
HC            2033    1.008000    0.040000
  1.7316E+01 -6.9788E+00  1.2800E+01
 -1.1230E+00 -1.4237E+01  1.3997E+01
 -1.6122E+03  1.4616E+03 -1.3817E+02
HC            2034    1.008000    0.040000
  1.5835E+01 -6.9151E+00  1.1653E+01
  1.2080E+01 -6.7314E+00 -1.8193E+01
  2.7441E+03  2.2998E+03  2.4766E+02
CT            2035   12.011000    0.145000
  1.4653E+01  1.7242E+01  1.6725E+01
  4.2255E+00 -8.9683E-01 -3.3351E+00
 -4.1421E+03  2.9005E+03  2.8560E+03
OH            2036    0.000000   -0.683000
  1.3775E+01  1.7240E+01  1.5622E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2037    1.008000    0.418000
  1.3069E+01  1.6682E+01  1.5911E+01
 -8.4700E-01  2.2956E+00  2.4106E+00
 -2.6299E+03  2.3172E+03 -2.0777E+03
HC            2038    1.008000    0.040000
  1.5454E+01  1.7949E+01  1.6511E+01
 -5.2033E-01 -3.9326E+00 -3.6274E+01
  7.6646E+02 -2.6609E+03 -1.2821E+02
HC            2039    1.008000    0.040000
  1.4861E+01  1.6233E+01  1.7083E+01
  4.2213E+00  1.6066E+00  3.9020E+00
  3.0281E+03  6.6266E+02 -8.6031E+02
HC            2040    1.008000    0.040000
  1.3953E+01  1.7637E+01  1.7462E+01
  4.8333E-01 -9.1403E+00 -2.3539E+00
  1.9045E+03  6.1900E+02  1.9905E+03
CT            2041   12.011000    0.145000
  7.2888E-01  2.0887E-01  1.1407E+01
  1.4598E+00 -2.0702E+00  2.8340E+00
  2.9799E+03 -2.6877E+03  2.4165E+03
OH            2042    0.000000   -0.683000
  1.7981E-01 -9.5638E-01  1.0834E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2043    1.008000    0.418000
  4.5282E-01 -1.7524E+00  1.1264E+01
 -1.5767E+01  3.8921E-01  1.1625E+01
  1.4474E+03  1.6997E+03  1.2237E+03
HC            2044    1.008000    0.040000
  1.6108E-01  4.9186E-01  1.2294E+01
 -1.3159E+01  2.2786E+01 -1.3237E+01
  3.1753E+02  1.4675E+03 -1.2539E+03
HC            2045    1.008000    0.040000
  6.1657E-01  9.5438E-01  1.0620E+01
 -1.7575E+01  5.4320E+00  1.2016E+01
  5.3608E+02  1.9384E+03  2.7114E+03
HC            2046    1.008000    0.040000
  1.7663E+00  3.0177E-02  1.1690E+01
  3.0873E+00  3.0265E+01  2.2368E+01
 -3.9610E+02  1.9437E+03 -3.7238E+02
CT            2047   12.011000    0.145000
 -5.8560E-01 -7.2029E+00 -1.6652E+01
 -4.5856E+00 -5.5909E+00 -1.3231E+00
 -8.4605E+02 -2.8983E+03  3.0566E+03
OH            2048    0.000000   -0.683000
 -1.6354E+00 -6.4728E+00 -1.6058E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2049    1.008000    0.418000
 -2.5227E+00 -6.6681E+00 -1.6318E+01
 -9.9306E+00  2.2525E+01  1.3902E+01
  2.9922E+03 -1.0388E+03 -4.3619E+03
HC            2050    1.008000    0.040000
  2.0486E-01 -7.2511E+00 -1.5903E+01
 -8.2631E+00 -1.4907E+00  2.8860E+00
  4.6151E+01 -1.6247E+03 -6.5778E+01
HC            2051    1.008000    0.040000
 -6.0899E-02 -6.7725E+00 -1.7505E+01
 -1.3985E+01 -5.0345E+00 -6.9654E+00
 -3.4850E+03 -9.4491E+02 -2.2270E+03
HC            2052    1.008000    0.040000
 -1.0491E+00 -8.1818E+00 -1.6775E+01
 -1.4359E+01 -1.1335E+00 -9.0646E-01
  2.8006E+03 -9.7211E+02 -2.5072E+03
CT            2053   12.011000    0.145000
  2.0279E+01 -6.1163E+00 -1.3316E+01
 -1.1385E+00  2.3566E+00 -3.3960E+00
  1.3719E+03 -5.0044E+03 -1.1938E+03
OH            2054    0.000000   -0.683000
  1.8950E+01 -6.5663E+00 -1.3177E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2055    1.008000    0.418000
  1.8484E+01 -5.7476E+00 -1.3098E+01
  3.9226E+00  1.6475E+00  6.8352E+00
 -2.0787E+03 -1.3096E+03 -2.6987E+02
HC            2056    1.008000    0.040000
 -2.0232E+01 -5.8143E+00 -1.2344E+01
  1.6065E+01 -1.7892E+01 -3.2679E+00
  1.3106E+03  8.8861E+02 -1.7546E+03
HC            2057    1.008000    0.040000
  2.0405E+01 -5.3761E+00 -1.4106E+01
 -2.7718E+01  3.3753E+01  1.8996E+01
 -7.8931E+02 -5.0692E+02  2.1266E+03
HC            2058    1.008000    0.040000
 -2.0168E+01 -7.0813E+00 -1.3543E+01
  9.7567E+00  6.0741E+00  1.8347E+00
  3.5195E+03  1.1808E+03 -4.1146E+01
CT            2059   12.011000    0.145000
 -9.7306E+00  5.1560E+00 -1.4992E+01
 -2.6209E+00  2.4605E+00 -4.4523E+00
  1.5996E+03  8.6370E+01  4.5729E+02
OH            2060    0.000000   -0.683000
 -9.7328E+00  6.3864E+00 -1.4303E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2061    1.008000    0.418000
 -8.8313E+00  6.6135E+00 -1.4133E+01
  3.1356E+00 -1.3197E+01  2.1114E+00
  7.9538E+02 -1.2543E+03 -3.5692E+03
HC            2062    1.008000    0.040000
 -9.7716E+00  5.1897E+00 -1.6080E+01
  1.7274E+01  4.8537E+00 -5.4969E+00
 -3.6392E+02  1.7578E+03  5.1340E+02
HC            2063    1.008000    0.040000
 -1.0536E+01  4.5382E+00 -1.4595E+01
  1.2603E+01 -1.3715E+01  2.6559E+00
  1.2321E+03 -9.9675E+02 -3.8801E+02
HC            2064    1.008000    0.040000
 -8.7807E+00  4.6742E+00 -1.4760E+01
 -1.5523E+01 -1.7242E+01  1.0902E+01
 -1.5176E+03 -1.8407E+03  6.2695E+02
CT            2065   12.011000    0.145000
 -2.0252E+01 -4.9893E+00  1.0920E+01
 -5.4203E-01  2.7402E+00  3.0001E+00
 -1.0266E+03 -4.9326E+02 -2.6662E+03
OH            2066    0.000000   -0.683000
  1.9545E+01 -5.7305E+00  1.1393E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2067    1.008000    0.418000
  1.9126E+01 -6.1460E+00  1.0654E+01
 -1.6285E-01 -1.3555E+01  7.3989E+00
 -9.7246E+02 -1.6797E+02  9.2732E+02
HC            2068    1.008000    0.040000
 -2.0299E+01 -5.1536E+00  9.8437E+00
 -1.1223E+01  1.2353E+00  3.5843E+00
  7.7583E+02  1.9182E+03 -3.9694E+02
HC            2069    1.008000    0.040000
 -1.9267E+01 -5.3153E+00  1.1253E+01
  9.0266E+00  2.3544E+01 -3.2702E+00
 -7.3306E+02  1.0591E+03  1.1417E+03
HC            2070    1.008000    0.040000
 -2.0437E+01 -3.9451E+00  1.1172E+01
  1.2268E+01  4.0697E+00  7.6178E+00
  2.1805E+03  4.1911E+02 -8.3856E+02
CT            2071   12.011000    0.145000
 -1.8374E-01  1.7854E+01  8.6064E-01
 -3.2213E+00  2.0928E+00  2.5404E+00
 -2.5852E+03  1.0612E+03  1.6824E+03
OH            2072    0.000000   -0.683000
 -8.8909E-01  1.8185E+01 -3.1459E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2073    1.008000    0.418000
 -1.1818E+00  1.9083E+01 -3.0020E-01
  4.9882E+00  1.9026E+00 -9.2956E+00
 -2.2557E+01 -1.0640E+02 -5.5836E+02
HC            2074    1.008000    0.040000
 -6.4082E-01  1.8392E+01  1.6911E+00
 -1.2208E+01 -1.0102E+01  5.7854E+00
  1.2993E+03  4.2657E+02  3.7808E+02
HC            2075    1.008000    0.040000
  8.4731E-01  1.8145E+01  6.6010E-01
 -7.5878E+00  1.5219E+01 -1.9005E+00
  1.8889E+02 -1.1988E+03  2.0091E+03
HC            2076    1.008000    0.040000
 -3.9253E-01  1.6800E+01  1.0466E+00
  4.3330E+00 -1.3129E+00 -7.3760E+00
  3.0274E+03 -5.1842E+02 -6.4220E+01
CT            2077   12.011000    0.145000
  1.3776E+01 -1.5448E+01  1.2766E+01
 -9.0246E-01  6.9327E-01 -9.5302E-01
  8.8781E+02  5.2658E+03  1.1143E+03
OH            2078    0.000000   -0.683000
  1.4812E+01 -1.5416E+01  1.1810E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2079    1.008000    0.418000
  1.4521E+01 -1.5894E+01  1.1049E+01
 -4.7506E+00  1.3922E+00  9.1016E-01
  9.9193E+02  5.5190E+02 -6.6474E+02
HC            2080    1.008000    0.040000
  1.4081E+01 -1.4671E+01  1.3467E+01
  2.4781E+01  8.0210E+00 -1.8774E+01
  1.7995E+03 -2.8178E+03  1.4121E+03
HC            2081    1.008000    0.040000
  1.3653E+01 -1.6406E+01  1.3270E+01
 -2.1972E+01  1.1025E+01  1.5148E+01
 -2.3016E+03  1.0881E+03 -5.3223E+02
HC            2082    1.008000    0.040000
  1.2891E+01 -1.4924E+01  1.2404E+01
  6.6291E+00  1.3476E+01 -1.4596E+00
 -1.5166E+03 -4.1295E+03 -1.1194E+03
CT            2083   12.011000    0.145000
 -8.7546E-01 -1.3008E+01 -1.2816E+00
  1.3984E+00  2.3611E+00 -1.0681E+00
  2.1862E+03  4.3728E+03  4.0833E+03
OH            2084    0.000000   -0.683000
 -2.1019E+00 -1.2315E+01 -1.3483E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2085    1.008000    0.418000
 -2.4519E+00 -1.2372E+01 -2.2242E+00
 -1.8161E+01 -1.9638E+01  7.6503E+00
  2.0776E+03  1.3038E+03  2.6942E+02
HC            2086    1.008000    0.040000
 -1.0331E-01 -1.2523E+01 -1.8790E+00
  9.0094E+00 -2.1585E+01 -1.1916E+01
 -2.5382E+02 -1.6983E+03 -1.0215E+03
HC            2087    1.008000    0.040000
 -8.4196E-01 -1.4083E+01 -1.4590E+00
  1.3924E+01  3.2908E+00 -5.3262E+00
 -8.5052E+02  6.7308E+02 -4.8078E+02
HC            2088    1.008000    0.040000
 -6.1288E-01 -1.2747E+01 -2.5652E-01
  6.2514E+00  3.5151E+01 -9.5341E+00
  1.7778E+03 -2.3064E+03 -8.2913E+02
CT            2089   12.011000    0.145000
  1.9536E+01  4.2830E+00 -1.3871E+01
 -1.7210E+00 -1.4816E+00  1.0315E+00
 -1.5741E+03 -1.9177E+03  2.2252E+03
OH            2090    0.000000   -0.683000
  1.8887E+01  5.4142E+00 -1.3335E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2091    1.008000    0.418000
  1.9597E+01  6.0163E+00 -1.3170E+01
  1.4859E+00 -4.9981E+00  1.3070E+01
 -9.4306E+02  8.2385E+02 -4.6385E+02
HC            2092    1.008000    0.040000
 -2.0448E+01  4.1057E+00 -1.3307E+01
 -3.1164E+00  1.3959E+01  8.6820E+00
 -4.1236E+02  5.0761E+02  4.0358E+02
HC            2093    1.008000    0.040000
  1.9839E+01  4.1917E+00 -1.4914E+01
  3.3946E+00 -2.4058E+01  3.9739E+00
 -8.8281E+02  3.9305E+03  5.3467E+02
HC            2094    1.008000    0.040000
  1.8891E+01  3.4177E+00 -1.3716E+01
 -2.0350E+01  1.5404E+01  2.5855E+01
 -2.6968E+02  1.3154E+03  8.1812E+02
CT            2095   12.011000    0.145000
 -1.1743E+01 -1.6481E+01  1.2141E+01
 -1.4820E+00 -1.4124E-01  5.5504E+00
 -4.7026E+02  2.8783E+02  2.8729E+03
OH            2096    0.000000   -0.683000
 -1.2190E+01 -1.5147E+01  1.2050E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2097    1.008000    0.418000
 -1.2681E+01 -1.4912E+01  1.2822E+01
  8.2620E-01  1.8222E+01 -4.5711E+00
  2.2542E+03 -1.4755E+03  1.2399E+03
HC            2098    1.008000    0.040000
 -1.0789E+01 -1.6528E+01  1.2667E+01
  1.2078E+01  1.8408E+01 -1.5558E+01
  1.7884E+03  1.0975E+03 -3.9212E+03
HC            2099    1.008000    0.040000
 -1.1813E+01 -1.6953E+01  1.1161E+01
  4.8520E+00  2.7073E+01 -9.0130E+00
  3.1817E+03  1.2376E+03  2.5394E+02
HC            2100    1.008000    0.040000
 -1.2266E+01 -1.7183E+01  1.2790E+01
  1.9803E+00 -9.9695E+00 -2.0345E+00
 -4.3205E+03  2.9507E+03 -6.1761E+02
CT            2101   12.011000    0.145000
 -9.6975E+00  8.9577E+00  6.6306E+00
  5.2293E+00 -3.4698E+00  3.4293E+00
 -2.6314E+03 -2.6435E+03  2.7594E+03
OH            2102    0.000000   -0.683000
 -9.8141E+00  7.8917E+00  5.7150E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2103    1.008000    0.418000
 -9.6308E+00  8.2908E+00  4.8783E+00
  1.8616E+01  9.7969E+00  8.1425E+00
 -1.2696E+03 -1.3978E+03 -1.3941E+02
HC            2104    1.008000    0.040000
 -9.6076E+00  8.5115E+00  7.6210E+00
 -4.8854E+00  9.8231E+00  1.0671E+01
  2.6240E+03  1.7631E+03  5.0418E+02
HC            2105    1.008000    0.040000
 -1.0674E+01  9.4416E+00  6.6502E+00
  4.8435E+00 -3.7131E+00 -5.6069E+00
  1.3743E+03  2.9152E+03 -1.1525E+03
HC            2106    1.008000    0.040000
 -8.8583E+00  9.5251E+00  6.2284E+00
  9.2230E-01  1.1687E+00  8.7157E-01
 -7.7335E+02  2.4541E+03  2.9673E+03
CT            2107   12.011000    0.145000
 -1.2363E+01 -7.1000E+00 -1.4830E+01
  1.2833E+00 -1.2440E+00 -7.6844E-02
 -1.1440E+03 -4.0806E+03 -3.8503E+03
OH            2108    0.000000   -0.683000
 -1.1701E+01 -6.3530E+00 -1.5826E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2109    1.008000    0.418000
 -1.1085E+01 -6.0053E+00 -1.5199E+01
  6.8493E+00 -2.7754E+01  1.0132E+01
  7.7440E+02  2.4757E+03 -4.3860E+03
HC            2110    1.008000    0.040000
 -1.2772E+01 -6.4262E+00 -1.4077E+01
 -1.7198E+01 -1.2538E+00 -9.5424E+00
  2.1784E+02 -1.9261E+03  6.0140E+02
HC            2111    1.008000    0.040000
 -1.1694E+01 -7.8855E+00 -1.4478E+01
 -4.4246E+00 -1.3672E+00  1.0930E+01
  7.2579E+02  1.9116E+03  2.9669E+03
HC            2112    1.008000    0.040000
 -1.3155E+01 -7.7112E+00 -1.5262E+01
 -6.7057E+00  1.1382E+01 -3.8346E+00
 -2.4224E+03  2.8892E+03 -5.5982E+02
CT            2113   12.011000    0.145000
  2.7571E+00 -1.4867E+01 -4.1852E+00
  3.1226E-02 -1.1412E+00 -1.0706E+00
  1.1195E+03  9.9803E+02  4.4459E+03
OH            2114    0.000000   -0.683000
  1.4873E+00 -1.5303E+01 -3.7548E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2115    1.008000    0.418000
  1.1134E+00 -1.5709E+01 -4.5220E+00
 -2.2030E+01  2.1531E+01 -1.8918E+00
 -1.4783E+03  3.2366E+03 -2.4237E+02
HC            2116    1.008000    0.040000
  2.6807E+00 -1.3948E+01 -4.7666E+00
 -9.2138E+00  4.1837E+00  8.2164E+00
  3.9709E+02 -7.1027E+01  4.5562E+02
HC            2117    1.008000    0.040000
  3.2907E+00 -1.5661E+01 -4.7082E+00
 -9.7459E+00 -1.6252E+01  1.0989E+01
 -1.7680E+02  2.1231E+02  7.6573E+02
HC            2118    1.008000    0.040000
  3.2837E+00 -1.4626E+01 -3.2618E+00
  1.6728E+01 -5.1392E+00 -9.1599E+00
  2.0607E+03  3.0969E+02 -1.0259E+03
CT            2119   12.011000    0.145000
 -1.0131E+01  1.8212E+01  7.6442E+00
 -1.8683E-01  2.9811E+00  8.6822E-01
  1.9335E+02  2.7716E+03  1.0494E+03
OH            2120    0.000000   -0.683000
 -9.2163E+00  1.8562E+01  6.6298E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2121    1.008000    0.418000
 -8.5637E+00  1.9055E+01  7.1034E+00
  1.0305E+01  5.7347E+00 -1.9101E+01
 -2.1450E+03  2.9667E+03 -1.1260E+03
HC            2122    1.008000    0.040000
 -9.5655E+00  1.8090E+01  8.5679E+00
 -8.3173E+00 -5.3380E+00  4.9106E+00
 -1.7479E+03 -7.1550E+02  9.7900E+02
HC            2123    1.008000    0.040000
 -1.0709E+01  1.7295E+01  7.5347E+00
 -9.3559E-01  4.6211E+00 -1.0041E+01
 -8.0896E+02  1.0719E+03 -2.3904E+03
HC            2124    1.008000    0.040000
 -1.0689E+01  1.9122E+01  7.8680E+00
  1.5613E+01  9.1352E+00  1.7810E+01
 -2.0534E+03 -1.8626E+03 -9.0265E+01
CT            2125   12.011000    0.145000
  1.6580E+01  7.0857E+00 -7.7455E+00
  5.4612E-01 -9.6378E-01  1.0436E+00
  5.0678E+03  1.5654E+03  6.2960E+03
OH            2126    0.000000   -0.683000
  1.7691E+01  6.8217E+00 -8.5728E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2127    1.008000    0.418000
  1.7198E+01  6.7029E+00 -9.3702E+00
  1.0306E+01  7.5241E+00 -7.7732E+00
  4.0693E+03  5.9304E+02 -2.5970E+03
HC            2128    1.008000    0.040000
  1.6475E+01  6.2774E+00 -7.0218E+00
 -1.3802E+01 -1.6385E+00 -1.4998E+00
 -1.1658E+03 -5.2752E+02 -6.0209E+02
HC            2129    1.008000    0.040000
  1.5627E+01  7.2715E+00 -8.2405E+00
  3.6801E+00 -1.3817E+00 -5.2476E+00
  1.1660E+03  5.7047E+01 -9.0614E+02
HC            2130    1.008000    0.040000
  1.6871E+01  7.9537E+00 -7.1538E+00
  5.6409E+00 -3.4108E+00  2.1847E+00
 -1.1828E+03  7.5622E+02  2.6777E+02
CT            2131   12.011000    0.145000
 -3.4107E+00  1.9823E+01 -1.4532E+01
  1.0444E-01 -4.2252E+00  2.2245E+00
  2.0617E+03  1.0538E+03  1.5976E+03
OH            2132    0.000000   -0.683000
 -2.3850E+00  1.9396E+01 -1.5400E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2133    1.008000    0.418000
 -1.6429E+00  1.9226E+01 -1.4841E+01
 -1.6285E+01 -3.4121E+01  1.4139E+01
 -1.2506E+03  4.2256E+03 -1.0571E+03
HC            2134    1.008000    0.040000
 -3.1892E+00 -2.0035E+01 -1.4303E+01
 -1.4092E+01  1.7842E-01 -3.0070E+00
 -8.3337E+02 -6.4791E+01  8.7002E+02
HC            2135    1.008000    0.040000
 -3.3293E+00  1.9263E+01 -1.3600E+01
  7.6837E+00 -4.5751E-01  3.9069E+00
 -9.0267E+02 -1.2055E+02 -2.0226E+01
HC            2136    1.008000    0.040000
 -4.4415E+00  1.9778E+01 -1.4883E+01
 -5.5412E+00 -5.4027E+00  1.8119E+01
  9.2231E+02 -3.5802E+02 -9.3939E+02
CT            2137   12.011000    0.145000
 -8.7626E+00 -4.0936E+00 -2.0957E+00
  2.9596E-01 -7.8824E+00  1.4978E+00
 -3.4791E+02  1.1926E+03  2.3476E+03
OH            2138    0.000000   -0.683000
 -7.4387E+00 -3.9478E+00 -1.6330E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2139    1.008000    0.418000
 -6.8563E+00 -4.5859E+00 -2.0161E+00
  9.7965E+00  5.5276E+00  5.2808E+00
 -8.3971E+02 -6.5872E+02  3.3886E+02
HC            2140    1.008000    0.040000
 -9.2245E+00 -5.0349E+00 -1.7978E+00
  7.6905E+00 -1.0381E+01  5.3231E+00
  1.6255E+03 -1.6451E+03 -3.0618E+03
HC            2141    1.008000    0.040000
 -8.7345E+00 -3.8497E+00 -3.1576E+00
  1.3518E+01 -3.7210E+00  2.6216E+00
 -2.4249E+03 -1.4728E+03  1.1551E+02
HC            2142    1.008000    0.040000
 -9.4043E+00 -3.3647E+00 -1.6008E+00
  3.8813E+00  3.4985E+00 -1.0059E+01
  9.4390E+02  1.6294E+03 -1.0867E+03
CT            2143   12.011000    0.145000
  2.0371E+01  1.8643E+01  2.0461E+00
 -2.2915E+00  7.7147E-01 -3.8028E+00
  6.1745E+03 -2.4652E+02  1.1987E+03
OH            2144    0.000000   -0.683000
  2.0428E+01  1.7268E+01  1.7378E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2145    1.008000    0.418000
 -2.0274E+01  1.6869E+01  2.5711E+00
 -1.8952E+01  3.7929E+01  2.5620E+01
 -4.3069E+03  2.9517E+03  3.7663E+02
HC            2146    1.008000    0.040000
 -1.9660E+01  1.8917E+01  2.6438E+00
 -1.9232E+00  1.0633E+01 -8.6649E+00
  9.9419E+02 -1.9051E+03 -6.0825E+01
HC            2147    1.008000    0.040000
  1.9641E+01  1.9067E+01  2.7359E+00
  1.3144E+01 -3.8255E+00  1.6315E+01
 -2.0828E+03 -3.0799E+03 -2.2242E+03
HC            2148    1.008000    0.040000
 -2.0336E+01  1.9218E+01  1.1409E+00
 -1.0892E+01 -1.8008E+01 -1.8281E+01
 -2.2901E+03 -4.9643E+02 -2.4360E+02
CT            2149   12.011000    0.145000
  7.5122E+00 -6.2362E+00 -6.8980E+00
  1.0593E+00  5.5924E+00 -1.0926E+00
  9.4437E+02  5.1162E+03 -1.2695E+03
OH            2150    0.000000   -0.683000
  8.1152E+00 -6.5954E+00 -8.1209E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2151    1.008000    0.418000
  8.9648E+00 -6.9932E+00 -8.0067E+00
  1.0127E+01  9.1613E+00 -3.2527E+01
 -5.7683E+02  2.3264E+03  8.6003E+02
HC            2152    1.008000    0.040000
  7.9566E+00 -5.2823E+00 -6.6140E+00
  4.2140E-01  9.3330E+00 -1.2176E+01
  1.1237E+03 -7.6269E+02  1.4298E+03
HC            2153    1.008000    0.040000
  7.5746E+00 -6.9484E+00 -6.0752E+00
 -2.2192E+00 -8.5259E+00 -1.2645E+01
  1.4028E+02 -1.1228E+03 -1.6926E+03
HC            2154    1.008000    0.040000
  6.4918E+00 -5.8792E+00 -7.0375E+00
  2.7612E+00  1.0654E+01 -7.9113E-01
 -6.6069E+02 -1.8863E+03  4.1202E+01
CT            2155   12.011000    0.145000
 -2.8289E+00 -1.0027E+01 -7.2628E+00
 -2.5099E+00 -4.8046E+00 -1.6611E+00
  2.0501E+03  2.0441E+03 -7.8706E+02
OH            2156    0.000000   -0.683000
 -1.7107E+00 -1.0760E+01 -6.8143E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2157    1.008000    0.418000
 -1.9046E+00 -1.1107E+01 -5.9569E+00
  1.1184E+01 -2.3603E+01 -6.1760E+00
  6.2834E+02 -3.2107E+02 -7.4737E+02
HC            2158    1.008000    0.040000
 -2.5156E+00 -9.6752E+00 -8.2457E+00
 -2.5198E+01  1.3141E+01 -3.3167E+00
 -3.7825E+03  1.9912E+02 -7.9511E+02
HC            2159    1.008000    0.040000
 -3.0732E+00 -9.1596E+00 -6.6502E+00
 -4.1641E+01 -2.0624E+01  8.2088E+00
 -9.7672E+01 -1.6709E+03 -4.3106E+02
HC            2160    1.008000    0.040000
 -3.7182E+00 -1.0657E+01 -7.2408E+00
 -3.2372E-01 -7.7611E+00  1.4360E+01
  1.1776E+02  7.8277E+02 -1.3195E+03
CT            2161   12.011000    0.145000
  1.4129E+01  1.5036E+01 -4.0999E+00
 -4.0502E-01 -4.3475E+00  1.2037E+00
 -2.9170E+03 -4.1884E+03  2.9524E+03
OH            2162    0.000000   -0.683000
  1.4883E+01  1.5293E+01 -2.9365E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2163    1.008000    0.418000
  1.4444E+01  1.4932E+01 -2.1819E+00
 -2.9612E-01  8.6148E+00  4.0713E+00
 -3.0527E+03  4.4194E+02 -1.7340E+03
HC            2164    1.008000    0.040000
  1.4745E+01  1.5313E+01 -4.9559E+00
  9.1802E+00  3.3966E+00  1.0323E+01
 -1.5527E+03  4.8885E+01 -2.1785E+02
HC            2165    1.008000    0.040000
  1.3148E+01  1.5509E+01 -4.0492E+00
  4.9052E+00  8.9197E+00 -1.2174E+01
  1.0150E+03  2.1221E+03 -1.5082E+03
HC            2166    1.008000    0.040000
  1.3902E+01  1.3977E+01 -3.9777E+00
 -2.5269E+00 -1.6989E+00  2.4901E+01
  6.4109E+02 -4.8798E+01 -2.5918E+03
CT            2167   12.011000    0.145000
  1.0002E+01 -5.0681E+00 -1.9293E+01
  6.7770E-01  2.2855E+00  3.1816E-01
 -5.0747E+03 -2.9438E+03  8.1596E+02
OH            2168    0.000000   -0.683000
  1.0364E+01 -5.3633E+00 -1.7963E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2169    1.008000    0.418000
  1.1265E+01 -5.6294E+00 -1.8070E+01
 -5.8553E-01  3.7842E+00 -1.7154E+01
 -4.4907E+02 -4.8376E+02  1.1769E+03
HC            2170    1.008000    0.040000
  1.0154E+01 -4.0977E+00 -1.9766E+01
 -6.7627E+00 -2.5133E+00 -1.2446E+01
  3.4194E+03 -3.2691E+02  2.2114E+03
HC            2171    1.008000    0.040000
  8.9226E+00 -5.1320E+00 -1.9432E+01
  1.7134E+00 -7.9854E+00 -3.8990E+00
 -5.4962E+02 -6.9158E+02  2.3673E+03
HC            2172    1.008000    0.040000
  1.0381E+01 -5.7892E+00 -2.0017E+01
  2.9940E+01  1.1932E+01  4.6898E+00
  1.5745E+03  1.0197E+02  1.7522E+03
CT            2173   12.011000    0.145000
 -1.3533E+01 -6.3746E+00  1.0641E+01
 -2.2669E+00  1.4595E+00  1.4998E+00
  2.1133E+02  3.6337E+03  1.9796E+03
OH            2174    0.000000   -0.683000
 -1.3869E+01 -5.6863E+00  9.4576E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2175    1.008000    0.418000
 -1.3192E+01 -5.9369E+00  8.8485E+00
  1.3224E+01  8.2464E+00  1.0734E+01
 -7.2238E+02  1.6147E+03 -8.2897E+02
HC            2176    1.008000    0.040000
 -1.2444E+01 -6.3719E+00  1.0674E+01
 -1.3945E+00  2.6050E+01 -8.1810E+00
 -6.6054E+02  6.8257E+02  1.0798E+03
HC            2177    1.008000    0.040000
 -1.3881E+01 -7.3888E+00  1.0838E+01
  1.0297E+01 -9.6336E+00 -2.7765E+01
 -9.3838E+02  5.9497E+02 -3.9198E+03
HC            2178    1.008000    0.040000
 -1.3916E+01 -5.7181E+00  1.1423E+01
  7.9842E+00  9.2409E+00  2.0160E-01
  1.2954E+03 -2.8918E+02  1.1057E+03
CT            2179   12.011000    0.145000
  9.7192E+00  6.5872E+00  1.8541E+01
 -1.6155E+00  2.6175E+00 -2.1497E+00
 -2.5331E+03  9.0418E+02  5.4698E+03
OH            2180    0.000000   -0.683000
  1.0734E+01  7.4996E+00  1.8896E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2181    1.008000    0.418000
  1.1518E+01  7.2835E+00  1.8414E+01
 -1.1562E+01  4.8317E+00 -2.2352E+01
 -1.0090E+03 -3.5298E+03  1.7553E+03
HC            2182    1.008000    0.040000
  8.8886E+00  7.2238E+00  1.8846E+01
  1.5823E+01  2.9232E+01 -6.8160E+00
 -1.0852E+03 -2.6634E+03 -7.6226E+02
HC            2183    1.008000    0.040000
  9.6914E+00  5.7159E+00  1.9195E+01
 -3.6852E+01  4.1917E+00  3.6397E-01
  3.8074E+02  1.9945E+02 -1.4454E+03
HC            2184    1.008000    0.040000
  9.5544E+00  6.2991E+00  1.7502E+01
 -1.8225E+00  5.0281E+00 -2.7918E+00
  2.5350E+03  1.5697E+02  2.1860E+01
CT            2185   12.011000    0.145000
  1.4731E+01  1.4701E+01  1.9762E+01
  1.6408E+00 -3.8738E+00 -1.8497E+00
 -5.4371E+02 -6.9520E+02 -2.6963E+03
OH            2186    0.000000   -0.683000
  1.3529E+01  1.4041E+01  2.0090E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2187    1.008000    0.418000
  1.3819E+01  1.3142E+01  2.0100E+01
  9.9457E-01  3.0934E-01 -7.9064E-01
 -2.4380E+03 -7.4718E+02  5.9939E+02
HC            2188    1.008000    0.040000
  1.4640E+01  1.5761E+01  1.9522E+01
 -7.2706E+00  7.1356E-01  1.9456E+01
 -2.7881E+03 -4.7761E+02  6.7203E+02
HC            2189    1.008000    0.040000
  1.5148E+01  1.4229E+01  1.8872E+01
 -1.7581E+01 -1.4487E+00 -1.2691E+01
 -1.8363E+03 -3.1667E+02 -5.2780E+02
HC            2190    1.008000    0.040000
  1.5630E+01  1.4690E+01  2.0378E+01
  1.3466E+01 -1.0924E+01 -1.8476E+01
 -3.4197E+03 -2.1653E+03  3.2676E+03
CT            2191   12.011000    0.145000
 -4.8874E+00  1.6796E+01 -9.5046E+00
 -2.4463E+00 -1.7097E+00  1.6277E-01
  3.1369E+03  2.3876E+03  3.1758E+02
OH            2192    0.000000   -0.683000
 -4.1391E+00  1.5792E+01 -8.8560E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2193    1.008000    0.418000
 -4.8253E+00  1.5351E+01 -8.3788E+00
 -1.6540E+01 -6.3610E+00 -2.7423E+01
  1.3762E+03 -1.7333E+03 -1.6298E+03
HC            2194    1.008000    0.040000
 -5.2619E+00  1.6761E+01 -1.0528E+01
 -2.1211E+00  1.6586E+01 -9.0693E-01
  2.4949E+01 -3.4463E+03  8.6082E+02
HC            2195    1.008000    0.040000
 -4.0731E+00  1.7513E+01 -9.6123E+00
  1.3374E+01 -1.7935E+01  6.6721E+00
 -2.8910E+03  2.4474E+03 -1.4460E+02
HC            2196    1.008000    0.040000
 -5.7199E+00  1.7005E+01 -8.8327E+00
 -1.3154E+01 -4.0538E+00 -1.1978E+01
  4.8518E+02  3.4142E+03 -1.1106E+03
CT            2197   12.011000    0.145000
 -1.9977E+01  2.0397E+00 -3.0483E+00
  5.3075E+00 -1.5539E+00  1.0931E+00
 -1.7196E+02  4.5644E+02  4.2564E+03
OH            2198    0.000000   -0.683000
 -2.0414E+01  7.1603E-01 -2.8364E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2199    1.008000    0.418000
  1.9588E+01  8.1704E-01 -3.1133E+00
  7.3084E+00  2.2211E+00 -2.5438E+01
  9.9614E+02 -2.2135E+03 -2.2528E+03
HC            2200    1.008000    0.040000
  1.9982E+01  2.5565E+00 -2.8620E+00
 -3.4515E-01 -1.5420E+01  1.2949E+01
  2.2448E+03  2.3321E+03  2.9605E+03
HC            2201    1.008000    0.040000
 -1.9677E+01  2.4729E+00 -4.0026E+00
 -5.8709E+00 -9.7887E+00 -6.4131E+00
 -5.7036E+02 -4.0369E+03 -1.5891E+03
HC            2202    1.008000    0.040000
 -1.9232E+01  2.2436E+00 -2.2793E+00
 -1.2456E+01  4.0662E+00  1.7625E+01
 -8.2953E+02  1.7303E+03 -3.3037E+01
CT            2203   12.011000    0.145000
  1.9604E+01  2.2837E+00  7.7914E+00
 -1.9340E+00  4.3672E+00 -2.2441E+00
  6.6776E+02 -2.7866E+03 -8.6439E+02
OH            2204    0.000000   -0.683000
 -2.0008E+01  2.6030E+00  7.3151E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2205    1.008000    0.418000
 -1.9710E+01  3.2522E+00  7.9336E+00
  7.6360E+00  1.0314E+01 -1.3929E+01
 -2.0774E+01  2.7030E+02 -7.7383E+02
HC            2206    1.008000    0.040000
  1.9625E+01  2.5376E+00  8.8512E+00
  9.7661E+00 -3.0788E+01  7.3244E+00
 -2.3208E+03 -2.2429E+03 -8.2017E+02
HC            2207    1.008000    0.040000
  1.9561E+01  1.2010E+00  7.6724E+00
  1.9133E+01  1.7546E+00  9.0832E+00
 -1.3855E+02 -4.6684E+01  2.4889E+03
HC            2208    1.008000    0.040000
  1.8730E+01  2.6836E+00  7.2766E+00
 -6.0894E+00  1.6191E+01  1.3224E+01
  1.5747E+03  2.5399E+03  9.4260E+01
CT            2209   12.011000    0.145000
  5.5486E+00 -5.1056E+00  1.1991E+01
  2.9812E+00 -1.0940E+00  1.4001E+00
  5.8319E+02 -6.3378E+02  6.2932E+02
OH            2210    0.000000   -0.683000
  5.5709E+00 -6.1888E+00  1.1089E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2211    1.008000    0.418000
  5.3985E+00 -5.9782E+00  1.0184E+01
 -9.7931E+00 -7.3675E+00 -1.4391E-02
 -7.0176E+02  3.3349E+03  1.1838E+03
HC            2212    1.008000    0.040000
  6.1141E+00 -5.3080E+00  1.2901E+01
  7.2779E+00  2.9118E+01  6.5035E+00
 -2.7477E+03 -1.0215E+03  3.2055E+02
HC            2213    1.008000    0.040000
  4.4702E+00 -5.0107E+00  1.2118E+01
  3.8222E+00  1.7020E+01 -2.3120E+00
  8.3583E+02  4.0375E+03  2.6350E+03
HC            2214    1.008000    0.040000
  6.0519E+00 -4.1889E+00  1.1684E+01
  2.5388E+00 -8.6839E+00 -2.4317E+01
 -1.9350E+03 -4.4591E+02 -2.9946E+03
CT            2215   12.011000    0.145000
  1.7490E+01 -5.4805E+00 -1.5925E+01
 -5.1202E-03 -7.9175E-01  1.7446E-01
  2.8237E+02 -8.9919E+02  7.8361E+02
OH            2216    0.000000   -0.683000
  1.8752E+01 -5.6226E+00 -1.6537E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2217    1.008000    0.418000
  1.8961E+01 -5.0048E+00 -1.7220E+01
  2.3413E+01 -1.6755E+01 -9.3218E+00
 -1.5428E+03 -1.6062E+03 -5.3298E+02
HC            2218    1.008000    0.040000
  1.6820E+01 -4.7969E+00 -1.6446E+01
 -1.2441E+01 -6.9753E+00  7.5803E+00
  3.6153E+02  3.9503E+02  7.4643E+02
HC            2219    1.008000    0.040000
  1.7676E+01 -5.1869E+00 -1.4892E+01
 -9.8228E+00  3.8721E-02  1.8060E+00
 -1.4812E+03  3.6106E+03 -7.7576E+02
HC            2220    1.008000    0.040000
  1.6973E+01 -6.4207E+00 -1.5734E+01
  2.4304E+01 -1.3224E+01  9.1527E+00
  1.4598E+03 -5.1855E+02 -2.2566E+03
CT            2221   12.011000    0.145000
  1.7592E+01 -6.2136E+00 -1.0123E+01
  4.8490E-01  9.8895E-01  3.2893E+00
 -3.0408E+02 -3.4047E+02 -1.8268E+03
OH            2222    0.000000   -0.683000
  1.8545E+01 -5.2677E+00 -1.0552E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2223    1.008000    0.418000
  1.9079E+01 -5.8371E+00 -1.1084E+01
 -2.7236E+01 -2.4235E+01 -3.9190E+00
 -7.7719E+02  7.7413E+02  9.5560E+02
HC            2224    1.008000    0.040000
  1.6861E+01 -5.8764E+00 -9.3875E+00
 -1.6058E+01 -9.3983E+00 -7.6939E+00
  7.3458E+02  9.7508E+02 -6.4754E+02
HC            2225    1.008000    0.040000
  1.8015E+01 -7.1318E+00 -9.7160E+00
  9.3546E+00  1.4467E+01  2.6417E+01
  1.6593E+03  1.7482E+03  6.6875E+02
HC            2226    1.008000    0.040000
  1.6972E+01 -6.5022E+00 -1.0972E+01
 -1.7146E+01  2.5548E+01  6.7262E+00
 -1.1623E+02  1.2884E+03  4.0042E+02
CT            2227   12.011000    0.145000
 -5.0833E+00 -1.0023E+01 -1.1159E+01
 -5.2621E-01  3.6380E-01 -1.1460E+00
 -7.2976E+02 -1.9836E+03  9.6438E+02
OH            2228    0.000000   -0.683000
 -6.0991E+00 -9.3282E+00 -1.0470E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2229    1.008000    0.418000
 -5.9161E+00 -8.4161E+00 -1.0637E+01
 -1.2741E+01  5.4795E+00  1.3747E+01
 -1.8213E+03 -2.0591E+02 -9.7824E+02
HC            2230    1.008000    0.040000
 -5.0448E+00 -9.6830E+00 -1.2194E+01
 -2.4591E+01  5.9536E+00 -7.9813E-01
 -2.2802E+03 -1.2730E+03  5.8794E+01
HC            2231    1.008000    0.040000
 -5.3549E+00 -1.1071E+01 -1.1033E+01
  2.9044E+01 -7.8406E+00  1.8846E+00
  2.4104E+03 -4.1230E+02 -2.2852E+03
HC            2232    1.008000    0.040000
 -4.0838E+00 -9.8741E+00 -1.0750E+01
 -7.4170E+00  9.0034E+00  1.3386E+01
 -1.0447E+03 -2.1835E+02  1.9953E+03
CT            2233   12.011000    0.145000
  1.4203E+00  4.2340E+00 -1.5818E+01
  5.2006E+00 -7.4491E+00  4.1566E+00
 -2.5010E+03  1.8896E+03  3.3522E+03
OH            2234    0.000000   -0.683000
  2.6612E-01  3.4246E+00 -1.5848E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2235    1.008000    0.418000
 -3.9170E-02  3.5680E+00 -1.4966E+01
  1.6832E+00  5.9707E+00 -3.4374E-01
 -3.9166E+03 -3.2028E+03 -1.0533E+03
HC            2236    1.008000    0.040000
  1.9659E+00  3.7198E+00 -1.5027E+01
  6.3005E+00 -1.9252E+01 -4.0111E+00
  4.4476E+03  1.0401E+03 -2.6063E+03
HC            2237    1.008000    0.040000
  1.1446E+00  5.2088E+00 -1.5415E+01
  2.5356E+01 -1.6633E+00  5.0411E+00
  7.2286E+02  5.7545E+02 -1.0071E+03
HC            2238    1.008000    0.040000
  1.8313E+00  4.4192E+00 -1.6810E+01
 -1.7111E+00  1.6708E+01  5.1642E+00
  2.2938E+03 -2.4873E+03  1.8192E+03
CT            2239   12.011000    0.145000
  9.6022E+00 -4.1939E+00  9.7875E+00
 -1.1127E+00  7.7979E-01  5.7385E+00
 -1.9231E+03  8.4497E+02  3.6827E+03
OH            2240    0.000000   -0.683000
  9.7125E+00 -2.7991E+00  9.6132E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2241    1.008000    0.418000
  8.9418E+00 -2.4718E+00  1.0051E+01
 -2.8998E+01 -3.8917E+01 -1.5976E+01
  3.4909E+03 -1.6344E+03  8.2183E+02
HC            2242    1.008000    0.040000
  1.0038E+01 -4.5758E+00  1.0711E+01
 -6.6948E+00  5.3197E+00  1.0331E+01
  9.5795E+02  4.4516E+02 -1.7710E+02
HC            2243    1.008000    0.040000
  9.9751E+00 -4.7037E+00  8.8991E+00
 -1.4677E+01 -3.9422E+00  2.5096E+00
 -2.2419E+03 -1.3500E+03  3.5435E+02
HC            2244    1.008000    0.040000
  8.5263E+00 -4.1850E+00  9.9619E+00
 -3.0200E+00 -6.1025E+00 -4.7487E+00
 -7.6753E+02 -5.4401E+03 -2.8801E+03
CT            2245   12.011000    0.145000
 -1.1334E+01 -1.8241E+01 -4.0299E+00
  1.6467E+00  2.6778E+00 -3.2291E-01
  3.8288E+02 -2.8232E+01 -1.8942E+03
OH            2246    0.000000   -0.683000
 -1.0135E+01 -1.8959E+01 -3.8382E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2247    1.008000    0.418000
 -9.8495E+00 -1.9283E+01 -4.6784E+00
 -1.3401E+01 -2.5784E+01  4.3724E+00
 -7.2538E+02 -8.8419E+02  9.6114E+02
HC            2248    1.008000    0.040000
 -1.1559E+01 -1.7640E+01 -3.1486E+00
  1.2075E+01  7.3391E+00 -6.9195E-01
  4.9600E+02  1.1840E+03 -9.5538E+02
HC            2249    1.008000    0.040000
 -1.2183E+01 -1.8902E+01 -4.2028E+00
  1.5134E+01 -1.9635E+01  1.3663E+01
  2.4147E+03 -2.2031E+03 -1.1789E+02
HC            2250    1.008000    0.040000
 -1.1214E+01 -1.7614E+01 -4.9134E+00
  2.1400E+01  1.3775E+01  9.5483E+00
  4.8255E+02  1.4379E+03  1.4476E+03
CT            2251   12.011000    0.145000
 -6.9294E+00  4.8983E+00  1.7576E+01
  8.7773E+00 -1.1236E+00 -5.1542E+00
  3.5775E+03 -2.2252E+03 -2.1966E+03
OH            2252    0.000000   -0.683000
 -7.6434E+00  4.3195E+00  1.6507E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2253    1.008000    0.418000
 -8.3399E+00  3.8236E+00  1.6909E+01
  3.6278E+00  1.0392E+00  7.7436E+00
 -5.9404E+02 -1.3199E+03 -3.1802E+03
HC            2254    1.008000    0.040000
 -6.0877E+00  5.5240E+00  1.7279E+01
  9.9989E-01 -2.5330E+00 -3.3004E+01
 -8.5541E+02 -1.0169E+03 -3.7382E+03
HC            2255    1.008000    0.040000
 -6.4740E+00  4.0675E+00  1.8115E+01
 -9.1117E+00 -6.7659E+00  2.0133E+00
 -1.1212E+03 -1.7628E+02  4.9422E+02
HC            2256    1.008000    0.040000
 -7.4204E+00  5.5223E+00  1.8323E+01
 -1.7633E+01 -1.2094E+01 -1.2189E+01
 -4.5859E+03 -2.2770E+03 -2.0214E+03
CT            2257   12.011000    0.145000
 -1.1998E+01 -4.1884E+00 -6.1302E+00
 -7.9762E+00  5.2073E+00  4.4612E+00
  6.0124E+03 -4.4796E+03 -1.8485E+03
OH            2258    0.000000   -0.683000
 -1.1191E+01 -3.9414E+00 -5.0006E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2259    1.008000    0.418000
 -1.1825E+01 -3.4246E+00 -4.5280E+00
 -7.4136E+00 -6.6059E+00 -2.5078E+00
  2.1852E+03 -5.9171E+02  3.1248E+03
HC            2260    1.008000    0.040000
 -1.1363E+01 -4.1302E+00 -7.0145E+00
  1.8155E+00 -1.4344E+00  1.0846E+01
  8.7120E+02  6.0986E+02  3.7990E+02
HC            2261    1.008000    0.040000
 -1.2904E+01 -3.6207E+00 -6.3416E+00
 -1.4108E+01  7.8442E-02  1.6032E+01
  1.4738E+03  1.9761E+03  2.7870E+03
HC            2262    1.008000    0.040000
 -1.2308E+01 -5.2332E+00 -6.1335E+00
 -8.1177E+00  4.8970E+00  2.2025E+01
 -2.0579E+02  1.5856E+01  1.6074E+03
CT            2263   12.011000    0.145000
 -1.4889E+01  9.9562E+00 -1.4742E+01
 -2.8598E+00 -1.6592E+00  4.2254E+00
 -6.6395E+02  2.1259E+00  1.0380E+03
OH            2264    0.000000   -0.683000
 -1.5918E+01  1.0853E+01 -1.5093E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2265    1.008000    0.418000
 -1.6216E+01  1.0530E+01 -1.5930E+01
  8.9247E+00  1.7103E+01 -1.0352E+01
 -1.5476E+03  5.0863E+02  1.0153E+03
HC            2266    1.008000    0.040000
 -1.5221E+01  8.9420E+00 -1.4520E+01
  2.4796E+00 -6.3178E+00 -8.1509E+00
 -1.2642E+03  1.6909E+02 -1.6538E+03
HC            2267    1.008000    0.040000
 -1.4337E+01  1.0234E+01 -1.3844E+01
 -1.8203E+01  2.7490E+00  1.2657E+01
  2.9440E+02  2.0651E+03 -1.1785E+03
HC            2268    1.008000    0.040000
 -1.4269E+01  9.9052E+00 -1.5637E+01
  7.6502E+00 -3.5509E+00  1.1431E+01
  1.4878E+03 -2.7962E+02  1.2556E+03
CT            2269   12.011000    0.145000
  1.1696E+01 -2.0742E+00  1.2285E+01
  1.6375E+00 -2.9821E+00 -9.5817E+00
  5.3116E+02  9.4469E+02  2.8225E+03
OH            2270    0.000000   -0.683000
  1.2967E+01 -1.4655E+00  1.2324E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2271    1.008000    0.418000
  1.3638E+01 -2.1309E+00  1.2347E+01
 -6.2040E+00 -7.5335E+00 -1.8302E+01
  1.1390E+02  6.5997E+02 -1.0046E+03
HC            2272    1.008000    0.040000
  1.0957E+01 -1.2915E+00  1.2459E+01
  7.2586E+00  5.2564E-01 -7.7175E-01
 -4.0060E+02 -3.0217E+02 -1.0071E+03
HC            2273    1.008000    0.040000
  1.1614E+01 -2.7570E+00  1.3131E+01
  1.4055E+01 -7.6383E+00 -1.1922E+01
  2.4400E+02 -6.8885E+02 -5.4571E+02
HC            2274    1.008000    0.040000
  1.1477E+01 -2.6272E+00  1.1372E+01
 -2.0227E+00 -1.4003E+01 -2.2379E+00
  1.1104E+03 -3.3946E+02  4.3631E+02
CT            2275   12.011000    0.145000
 -2.0342E+00  7.7477E+00 -1.5595E+01
 -3.0909E+00 -8.4567E-01  2.4241E+00
  1.0806E+02 -3.6509E+03  9.2447E+02
OH            2276    0.000000   -0.683000
 -2.8114E+00  7.3924E+00 -1.6717E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2277    1.008000    0.418000
 -2.5544E+00  8.0555E+00 -1.7339E+01
 -6.6272E+00  1.7314E+00 -9.6832E-01
 -1.2573E+03 -1.1488E+03 -1.6984E+03
HC            2278    1.008000    0.040000
 -1.0009E+00  7.4130E+00 -1.5687E+01
  2.4300E+00  1.2527E+01  1.2427E+01
  2.6013E+01  8.1788E+02 -7.0907E+02
HC            2279    1.008000    0.040000
 -2.4253E+00  7.1686E+00 -1.4759E+01
  1.7943E+00 -1.2862E+01 -3.3696E+00
  4.8990E+01  1.3618E+03  8.8263E+02
HC            2280    1.008000    0.040000
 -2.0067E+00  8.8277E+00 -1.5451E+01
 -6.9819E+00  2.8420E+00 -2.0542E+01
 -8.9955E+02 -8.0962E+02  1.3024E+02
CT            2281   12.011000    0.145000
 -1.6181E+01 -8.0667E-01  4.5377E+00
  2.2878E+00 -9.5996E-01 -1.0491E+00
 -2.3304E+03  3.4235E+03  1.5884E+03
OH            2282    0.000000   -0.683000
 -1.5683E+01 -1.0321E+00  5.8374E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2283    1.008000    0.418000
 -1.4800E+01 -1.3443E+00  5.7130E+00
  9.5617E-01 -6.7427E-01  7.9578E+00
 -3.9465E+02 -1.2239E+03  6.4773E+02
HC            2284    1.008000    0.040000
 -1.6951E+01 -4.5518E-02  4.6668E+00
 -1.6275E+01 -1.4551E+01 -2.3543E+01
 -9.0112E+02 -1.1494E+03 -1.5705E+03
HC            2285    1.008000    0.040000
 -1.6657E+01 -1.6789E+00  4.0894E+00
  8.9325E+00 -1.0134E+01  9.2254E+00
  4.2421E+02 -2.4228E+02  8.8795E+02
HC            2286    1.008000    0.040000
 -1.5495E+01 -3.4612E-01  3.8268E+00
 -3.8736E+00  1.0850E+01  4.0415E-01
  1.0412E+03 -6.2460E+02  1.0951E+03
CT            2287   12.011000    0.145000
 -1.9585E+01 -9.2757E+00  1.9888E+01
 -2.2916E+00  3.4346E+00  5.6978E-01
 -6.1327E+02  8.2285E+02  2.7165E+02
OH            2288    0.000000   -0.683000
 -1.9814E+01 -9.6557E+00 -1.9673E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2289    1.008000    0.418000
 -1.9132E+01 -1.0303E+01 -1.9577E+01
  1.8792E+01  1.4788E+01 -2.2556E+01
 -1.1924E+03  6.3417E+02  4.1970E+02
HC            2290    1.008000    0.040000
 -1.8497E+01 -9.2253E+00  1.9830E+01
 -5.5692E-01 -5.7558E+00  1.8083E+01
 -6.8530E+02  6.5800E+02 -1.7504E+03
HC            2291    1.008000    0.040000
 -2.0056E+01 -8.3106E+00  1.9702E+01
  3.4985E+00  1.2358E+01  2.7591E+01
  4.1652E+02 -6.5192E+02 -1.4632E+02
HC            2292    1.008000    0.040000
 -1.9944E+01 -1.0096E+01  1.9266E+01
  1.4792E+01 -4.7534E+00  9.3015E-01
 -3.7040E+00  5.9182E+02 -8.8618E+01
CT            2293   12.011000    0.145000
  6.8786E+00 -1.2309E+01 -1.9886E+01
 -3.0279E+00  6.8321E-01  4.2184E+00
  8.0806E+02  6.5694E+03  3.5815E+03
OH            2294    0.000000   -0.683000
  5.8952E+00 -1.1705E+01  2.0204E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2295    1.008000    0.418000
  6.0932E+00 -1.2106E+01  1.9372E+01
  8.1128E+00 -1.5974E+01  9.1557E+00
  7.9657E+02  2.0530E+03 -1.6562E+02
HC            2296    1.008000    0.040000
  6.9086E+00 -1.3398E+01 -1.9896E+01
 -1.2619E+01  3.4476E-01 -4.0359E+00
  4.3819E+02  6.9115E+02 -1.4503E+03
HC            2297    1.008000    0.040000
  6.8055E+00 -1.2026E+01 -1.8836E+01
 -6.1947E+00 -2.4372E+01  1.1388E+01
 -2.0126E+03 -1.3374E+03  1.8924E+02
HC            2298    1.008000    0.040000
  7.7974E+00 -1.1801E+01 -2.0180E+01
 -4.2124E+00 -1.0576E+01 -2.1668E+01
  1.2191E+03 -3.6039E+03 -1.7186E+03
CT            2299   12.011000    0.145000
 -2.0416E+00  1.8199E+01 -7.6682E+00
 -3.0318E-01 -1.8431E-02 -2.5942E-01
  3.5161E+03 -1.9857E+03  2.1253E+03
OH            2300    0.000000   -0.683000
 -1.1791E+00  1.8611E+01 -8.7048E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2301    1.008000    0.418000
 -3.6192E-01  1.8740E+01 -8.2480E+00
  6.1505E+00  2.5891E+00 -1.1354E+01
  9.6585E+02 -9.3317E+02 -1.6711E+03
HC            2302    1.008000    0.040000
 -1.7631E+00  1.7280E+01 -7.1531E+00
 -1.4312E+01  7.8628E+00  2.2929E+01
  2.4268E+02 -7.8129E+02 -3.1167E+03
HC            2303    1.008000    0.040000
 -3.1223E+00  1.8151E+01 -7.8021E+00
 -4.9935E+00  1.1622E+01  2.6812E+01
  1.2107E+03  1.3071E+03 -6.7333E+02
HC            2304    1.008000    0.040000
 -1.9196E+00  1.8797E+01 -6.7651E+00
  4.1922E+00 -3.2773E+00  1.3277E+00
  2.3317E+02  1.9668E+03 -1.3205E+03
CT            2305   12.011000    0.145000
  1.7529E+01  1.7293E+01  1.0528E+01
 -3.5156E+00  9.3177E-01  6.0676E+00
 -8.5082E+02  9.5928E+01  2.8200E+02
OH            2306    0.000000   -0.683000
  1.6756E+01  1.8302E+01  9.9169E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2307    1.008000    0.418000
  1.6002E+01  1.7982E+01  9.4452E+00
  7.6095E-01  4.0147E+00 -4.0038E+00
  7.1103E+02 -3.2760E+03  1.3595E+03
HC            2308    1.008000    0.040000
  1.8189E+01  1.7618E+01  1.1332E+01
 -1.8290E+01  8.6913E+00  1.5516E+01
  1.0289E+03  2.7888E+03 -2.5977E+03
HC            2309    1.008000    0.040000
  1.8095E+01  1.6888E+01  9.6890E+00
  4.2540E+00  1.0161E+01  6.6857E+00
  1.9616E+02 -3.2427E+03  2.1097E+03
HC            2310    1.008000    0.040000
  1.6947E+01  1.6569E+01  1.1098E+01
 -1.3823E+01 -5.0809E+00 -1.1302E+01
 -1.1071E+03 -1.5721E+03 -3.3258E+03
CT            2311   12.011000    0.145000
 -1.3484E+01 -1.9725E+01  1.8371E+01
  1.7997E+00 -4.3971E+00  2.6357E+00
 -1.0675E+03 -5.2374E+03 -7.5101E+02
OH            2312    0.000000   -0.683000
 -1.2443E+01 -1.9856E+01  1.7430E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2313    1.008000    0.418000
 -1.2910E+01 -1.9844E+01  1.6608E+01
 -1.3397E+01  4.6928E+00  7.3834E+00
 -9.7190E+02  3.7732E+01  7.7965E+02
HC            2314    1.008000    0.040000
 -1.3059E+01 -1.9389E+01  1.9317E+01
 -4.0790E+00  1.4299E+01 -9.3225E-01
 -2.5754E+03  1.6257E+03  1.0024E+02
HC            2315    1.008000    0.040000
 -1.4013E+01  2.0227E+01  1.8468E+01
 -1.9142E+01  4.1778E+00 -1.8108E+01
  1.5806E+03 -7.2326E+01  7.5724E+02
HC            2316    1.008000    0.040000
 -1.4313E+01 -1.9180E+01  1.7919E+01
  5.5085E+00 -1.1224E+01 -1.3083E+01
  1.6905E+03  3.4231E+03  2.6869E+03
CT            2317   12.011000    0.145000
 -7.9935E+00  3.2292E+00  1.3340E+01
  3.8668E+00  2.7045E+00 -7.5363E-01
 -4.5148E+03  4.9236E+03 -1.3565E+03
OH            2318    0.000000   -0.683000
 -8.0245E+00  2.8841E+00  1.1974E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2319    1.008000    0.418000
 -7.9932E+00  1.9403E+00  1.1936E+01
 -2.0641E+01 -9.4956E-01 -3.1997E+01
  2.0297E+03  1.5349E+03 -3.1265E+03
HC            2320    1.008000    0.040000
 -8.3341E+00  4.2636E+00  1.3385E+01
 -1.9771E+00  2.6717E+00 -2.7672E+01
  1.3799E+03  1.8393E+02  4.3724E+01
HC            2321    1.008000    0.040000
 -7.0638E+00  3.1394E+00  1.3902E+01
 -2.5296E+00 -2.2930E+00  9.3309E+00
 -4.7110E+02 -2.1235E+03 -6.3350E+02
HC            2322    1.008000    0.040000
 -8.8460E+00  2.6947E+00  1.3760E+01
  1.3351E+00  2.5910E+00 -5.9643E+00
  2.1418E+03 -8.2713E+02  3.0472E+03
CT            2323   12.011000    0.145000
 -1.3399E+01 -1.8536E+01 -8.8940E-01
  9.4855E+00 -1.2777E+00 -5.2638E+00
  1.8001E+03 -1.2157E+03 -1.9583E+03
OH            2324    0.000000   -0.683000
 -1.3589E+01 -1.9933E+01 -8.7035E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2325    1.008000    0.418000
 -1.3363E+01 -2.0223E+01 -1.7408E+00
  1.2863E+01  2.6246E+01 -6.4150E+00
 -2.8648E+03  9.4755E+02  5.3140E+01
HC            2326    1.008000    0.040000
 -1.3532E+01 -1.7906E+01 -1.0059E-02
  1.4463E+01 -2.4738E+01  1.3351E+01
 -2.4069E+03 -4.4488E+03  2.0305E+03
HC            2327    1.008000    0.040000
 -1.4147E+01 -1.8195E+01 -1.6055E+00
 -4.9064E+00  2.9867E+00  1.1102E+01
  1.8837E+03  2.0338E+03 -1.5188E+02
HC            2328    1.008000    0.040000
 -1.2369E+01 -1.8232E+01 -1.0729E+00
  6.2645E+00  2.9199E+01  1.8858E+01
 -1.7756E+03 -7.4473E+02 -2.2275E+03
CT            2329   12.011000    0.145000
  8.8882E+00  1.2637E+01 -3.2832E-01
 -2.0158E+00 -4.3104E+00  7.8573E+00
  3.8326E+03  1.3680E+02  1.2189E+03
OH            2330    0.000000   -0.683000
  9.3696E+00  1.1430E+01 -8.7726E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2331    1.008000    0.418000
  9.1364E+00  1.0877E+01 -1.4782E-01
 -3.4508E+00 -1.0861E+01 -9.0558E+00
  1.7075E+03 -2.4213E+03 -1.4310E+03
HC            2332    1.008000    0.040000
  9.1248E+00  1.3397E+01 -1.0724E+00
 -2.2650E+01  9.3334E-01  6.0439E+00
 -1.2635E+03  1.9350E+03  1.9976E+03
HC            2333    1.008000    0.040000
  9.4322E+00  1.2813E+01  5.9973E-01
  2.9811E+01  1.9086E+01 -1.3077E+01
  1.8780E+03  1.5635E+03 -2.6805E+03
HC            2334    1.008000    0.040000
  7.8429E+00  1.2716E+01 -2.9601E-02
 -9.7079E+00  3.7525E+00 -1.8464E+01
 -5.8523E+02 -1.4120E+03 -4.1503E+03
CT            2335   12.011000    0.145000
 -1.9857E+01  7.5047E+00  1.2029E+01
  5.0637E+00  7.9939E-02  2.6710E+00
 -1.9573E+03 -1.4813E+03 -9.9184E+02
OH            2336    0.000000   -0.683000
 -1.9219E+01  7.1724E+00  1.0816E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2337    1.008000    0.418000
 -1.8289E+01  7.2430E+00  1.0974E+01
 -2.6880E+00 -1.9504E+01  3.4688E+01
 -1.7719E+03 -1.2900E+02  3.0128E+03
HC            2338    1.008000    0.040000
 -1.9486E+01  6.9639E+00  1.2899E+01
  8.6767E+00 -6.0715E-01  7.2560E-01
  3.2107E+03  4.6632E+02 -1.1391E+03
HC            2339    1.008000    0.040000
  1.9994E+01  7.2109E+00  1.2037E+01
  1.2019E+00  1.3111E+01  1.4851E+01
  3.7659E+02 -5.2427E+02 -2.0166E+03
HC            2340    1.008000    0.040000
 -2.0011E+01  8.5306E+00  1.2363E+01
 -1.2779E+01 -3.8191E+00  7.4630E+00
  3.1956E+03  6.1013E+02 -2.8888E+03
CT            2341   12.011000    0.145000
  2.0437E+01  1.4386E+01 -5.0724E+00
  5.3410E+00  3.2024E+00 -7.2925E+00
 -3.8405E+03  1.0976E+03 -4.7011E+02
OH            2342    0.000000   -0.683000
  1.9936E+01  1.3346E+01 -5.8828E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2343    1.008000    0.418000
  1.9221E+01  1.3707E+01 -6.3835E+00
 -1.6746E+01 -1.2045E+01  1.4006E+01
 -5.7793E+02 -4.7253E+02  1.4612E+03
HC            2344    1.008000    0.040000
 -1.9940E+01  1.3949E+01 -4.2218E+00
  3.2009E+00  1.7389E+01  1.6451E+00
  1.7986E+03  2.1734E+03 -5.3828E+02
HC            2345    1.008000    0.040000
  1.9607E+01  1.4946E+01 -4.6397E+00
  1.1991E+01 -8.0360E+00  2.2422E+01
  4.3955E+02 -1.2043E+03  1.1296E+03
HC            2346    1.008000    0.040000
 -1.9912E+01  1.5087E+01 -5.6979E+00
  1.2845E+01 -2.0239E+00 -6.6675E+00
  2.6334E+03 -7.6088E+02  1.6089E+03
CT            2347   12.011000    0.145000
 -4.5267E+00  1.0439E+01 -4.4471E+00
 -6.3481E-01  2.0732E+00 -1.0530E+00
  6.0306E+02  1.8005E+03  8.3834E+03
OH            2348    0.000000   -0.683000
 -3.1659E+00  1.0773E+01 -4.6043E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2349    1.008000    0.418000
 -3.0890E+00  1.1302E+01 -5.3836E+00
  1.2048E+01  1.3715E+01  9.9420E+00
  2.9090E+03  7.0721E+02  1.0673E+03
HC            2350    1.008000    0.040000
 -4.9014E+00  9.5363E+00 -4.9288E+00
 -4.0819E-01  6.9727E+00 -1.0657E+01
  4.3704E+02  4.7697E+02 -3.4248E+01
HC            2351    1.008000    0.040000
 -5.1951E+00  1.1300E+01 -4.4679E+00
  5.4899E+00  6.9245E+00 -1.0626E-01
 -2.3549E+02 -2.8103E+02 -2.5861E+03
HC            2352    1.008000    0.040000
 -4.5266E+00  1.0262E+01 -3.3716E+00
  6.5845E+00  1.3613E+01  1.0239E+00
 -1.0268E+03 -1.6887E+03  1.0124E+02
CT            2353   12.011000    0.145000
  1.6682E+01  1.1020E+01 -9.1227E+00
  9.3021E-01 -2.4680E+00 -1.1300E+00
  3.2996E+03 -4.2576E+03 -2.4107E+03
OH            2354    0.000000   -0.683000
  1.6363E+01  1.1493E+01 -1.0412E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2355    1.008000    0.418000
  1.5451E+01  1.1275E+01 -1.0524E+01
 -6.2166E-01  4.2571E+00 -3.4743E+00
  5.8221E+02 -2.2073E+03  3.0234E+02
HC            2356    1.008000    0.040000
  1.7646E+01  1.1377E+01 -8.7597E+00
 -1.6079E+00  7.0834E+00 -3.5152E+00
 -6.9385E+02  2.0336E+03 -2.9643E+01
HC            2357    1.008000    0.040000
  1.6850E+01  9.9506E+00 -9.2526E+00
 -1.1334E+01 -2.3585E+00 -2.2527E+01
 -1.3027E+03 -9.5267E+01 -2.9478E+02
HC            2358    1.008000    0.040000
  1.5922E+01  1.1083E+01 -8.3444E+00
  9.9835E-01 -9.8257E+00 -3.9112E-01
 -3.8560E+02  2.0362E+03 -1.2293E+03
CT            2359   12.011000    0.145000
  9.3441E+00 -2.0373E+01 -6.3513E+00
  6.5459E-01 -6.3736E+00 -2.8116E+00
 -7.6300E+01  1.6210E+03  2.1790E+02
OH            2360    0.000000   -0.683000
  9.1505E+00 -1.9819E+01 -7.6336E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2361    1.008000    0.418000
  8.7939E+00  2.0315E+01 -8.0575E+00
 -1.9320E+00 -9.3718E+00  1.7601E+01
  9.9414E+02  1.0059E+03 -1.3493E+03
HC            2362    1.008000    0.040000
  9.5229E+00 -1.9675E+01 -5.5334E+00
  6.0212E+00 -6.6118E+00 -3.7451E+00
 -4.5342E+02  2.1222E+03 -1.6386E+03
HC            2363    1.008000    0.040000
  1.0225E+01  1.9885E+01 -6.3404E+00
 -7.5077E+00 -1.8263E+01 -1.3766E+01
 -9.1599E+02 -7.6050E+02 -6.6036E+02
HC            2364    1.008000    0.040000
  8.4699E+00  1.9959E+01 -6.0335E+00
 -6.8763E+00 -1.0194E+00 -1.3337E+01
  6.9098E+01 -5.0601E+02 -1.4193E+03
CT            2365   12.011000    0.145000
 -8.4656E-01 -1.0314E+01 -1.2371E+01
  4.4638E+00 -5.8721E-01  2.3729E+00
  1.1161E+03  1.0203E+03  1.9927E+03
OH            2366    0.000000   -0.683000
 -3.2773E-01 -9.2149E+00 -1.3086E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2367    1.008000    0.418000
  2.4137E-01 -8.8534E+00 -1.2424E+01
 -1.6795E+01 -5.6994E-01  1.5538E+01
 -2.2727E+03  4.9775E+03 -1.5955E+03
HC            2368    1.008000    0.040000
 -1.4732E+00 -1.0036E+01 -1.1523E+01
  1.2206E+00 -4.6666E+00  1.3462E+00
 -1.2611E+03  2.1730E+02 -8.9485E+02
HC            2369    1.008000    0.040000
  1.2870E-01 -1.0586E+01 -1.1967E+01
  4.9568E+00 -1.2704E+01 -6.4135E+00
 -1.2534E+03 -4.9193E+03 -2.7718E+01
HC            2370    1.008000    0.040000
 -1.3793E+00 -1.1021E+01 -1.3007E+01
 -1.8541E+01  1.1773E+01  6.8042E+00
  1.0668E+03 -5.2433E+02  1.3062E+03
CT            2371   12.011000    0.145000
 -1.3747E+00  7.9381E+00 -3.1374E+00
 -9.1093E-01  4.7121E+00 -4.8166E+00
 -2.3870E+03  4.7488E+02 -1.7875E+03
OH            2372    0.000000   -0.683000
 -1.0379E+00  6.9868E+00 -4.1221E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2373    1.008000    0.418000
 -8.9007E-01  6.1249E+00 -3.7639E+00
  1.4598E+01  4.9085E+00  6.5672E+00
 -1.4107E+03  1.2438E+03  2.7647E+03
HC            2374    1.008000    0.040000
 -2.4486E+00  7.7611E+00 -3.0772E+00
  9.1628E-01 -2.6030E+00  1.1833E+01
  3.9533E+01  6.8318E+02  4.7913E+03
HC            2375    1.008000    0.040000
 -1.2721E+00  8.9286E+00 -3.5806E+00
 -3.0991E+01  1.1903E+01  2.0274E+00
  8.8415E+02 -3.1957E+02  1.7999E+03
HC            2376    1.008000    0.040000
 -7.7511E-01  7.7797E+00 -2.2410E+00
 -5.5199E+00  3.8166E+01  5.5722E+00
 -2.6450E+03  1.6797E+03  6.8443E+02
CT            2377   12.011000    0.145000
 -4.2059E+00  2.0088E+00  1.5248E+01
  5.1821E-01 -1.5376E+00 -2.1313E+00
 -2.8477E+03  6.5967E+02  5.7593E+03
OH            2378    0.000000   -0.683000
 -3.0636E+00  1.4977E+00  1.5898E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2379    1.008000    0.418000
 -2.5569E+00  2.1112E+00  1.6407E+01
 -3.3637E-01  4.3503E+00 -4.8172E+00
 -2.3220E+03  3.0498E+03 -1.3487E+03
HC            2380    1.008000    0.040000
 -4.8152E+00  2.4420E+00  1.6041E+01
 -1.4083E+01 -3.5170E+01  6.8169E+00
 -3.5324E+02 -1.9385E+03 -1.1808E+01
HC            2381    1.008000    0.040000
 -4.7927E+00  1.1941E+00  1.4823E+01
  1.5652E+01 -1.8855E+01  8.6621E+00
  8.9357E+02 -7.7453E+02  1.6435E+03
HC            2382    1.008000    0.040000
 -4.2302E+00  2.7766E+00  1.4475E+01
  1.1272E+01 -6.6553E+00 -7.7759E+00
  5.7581E+03 -2.3180E+02 -2.7032E+01
CT            2383   12.011000    0.145000
  1.9979E+01 -1.7659E+01 -8.8864E+00
  2.4673E+00 -3.0734E-01  8.4097E-01
  3.3087E+03 -2.7031E+03  8.6509E+01
OH            2384    0.000000   -0.683000
  1.9498E+01 -1.8229E+01 -7.6898E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2385    1.008000    0.418000
  1.8774E+01 -1.7711E+01 -7.3722E+00
 -3.9667E+00 -1.2721E+01  1.2755E+01
  8.6090E+02  7.0220E+02 -5.0761E+02
HC            2386    1.008000    0.040000
  2.0317E+01 -1.6641E+01 -8.6943E+00
  1.9337E+01 -3.6602E+00 -8.9766E+00
 -2.9006E+02 -7.3158E+01 -1.7537E+03
HC            2387    1.008000    0.040000
  1.9367E+01 -1.7806E+01 -9.7762E+00
  1.4487E+01 -1.8273E+01 -5.0392E+00
 -1.6641E+03  1.6995E+03  1.9315E+03
HC            2388    1.008000    0.040000
 -2.0046E+01 -1.8223E+01 -9.2129E+00
 -1.1088E+00 -9.6120E-01 -7.8803E+00
  9.6766E+02  6.3871E+02  7.6612E+02
CT            2389   12.011000    0.145000
 -1.0339E+01  1.4510E+01  9.3443E+00
  3.1618E+00  5.8131E-01  7.7334E-01
  7.7363E+03  2.2743E+03  1.1056E+03
OH            2390    0.000000   -0.683000
 -9.9302E+00  1.3635E+01  8.3170E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2391    1.008000    0.418000
 -1.0714E+01  1.3134E+01  8.1508E+00
  1.6827E+01 -2.7647E+01 -2.2958E+00
  1.3651E+03  3.1751E+02 -1.3810E+03
HC            2392    1.008000    0.040000
 -9.4144E+00  1.4976E+01  9.6866E+00
  1.6312E+01 -2.7173E+01  5.8053E+00
 -1.7840E+02 -6.8578E+02  8.5748E+02
HC            2393    1.008000    0.040000
 -1.0800E+01  1.3952E+01  1.0159E+01
 -2.8986E+01  1.8593E+00 -1.4977E+01
  9.1257E+00  1.5350E+03 -7.6660E+02
HC            2394    1.008000    0.040000
 -1.0966E+01  1.5351E+01  9.0486E+00
  7.8786E+00  5.8415E+00  5.4771E+00
 -1.7058E+03 -2.0407E+03 -5.8321E+02
CT            2395   12.011000    0.145000
 -9.6733E+00 -4.4865E+00 -2.0173E+01
  5.3056E+00  3.1911E+00 -1.9005E+00
  5.8082E+03  3.5961E+03 -3.3886E+03
OH            2396    0.000000   -0.683000
 -9.0800E+00 -5.7095E+00  2.0352E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2397    1.008000    0.418000
 -9.4660E+00 -6.3999E+00 -2.0031E+01
  2.4158E+01 -8.9724E+00  7.4500E+00
  1.6726E+01 -9.5465E+02 -2.7904E+03
HC            2398    1.008000    0.040000
 -1.0609E+01 -4.3875E+00  2.0177E+01
  8.3672E-01  1.3499E+01  7.1860E+00
 -1.9612E+03  1.1401E+03  4.0806E+03
HC            2399    1.008000    0.040000
 -9.0347E+00 -3.6786E+00  2.0370E+01
  2.7745E+01 -1.3527E+01 -1.7887E+00
  2.2526E+02 -1.1492E+03 -2.0010E+03
HC            2400    1.008000    0.040000
 -9.6401E+00 -4.2529E+00 -1.9109E+01
 -1.3322E+01 -1.3272E+01  2.8986E+00
 -3.9823E+03 -2.6587E+03  3.5135E+02
CT            2401   12.011000    0.145000
 -1.4065E+01  1.8046E+01  1.0386E+01
  3.7525E-01 -4.7356E+00 -3.9110E-02
 -4.5554E+03  5.1197E+02 -5.1828E+03
OH            2402    0.000000   -0.683000
 -1.3033E+01  1.8140E+01  9.4310E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2403    1.008000    0.418000
 -1.2238E+01  1.7916E+01  9.8902E+00
  5.1335E+00  8.1716E+00 -4.6445E+00
 -3.8412E+02  1.8434E+03  1.3495E+03
HC            2404    1.008000    0.040000
 -1.4589E+01  1.8992E+01  1.0250E+01
 -3.6892E+00 -7.2558E+00 -2.1287E+00
  9.2894E+02  1.3406E+03  4.7559E+03
HC            2405    1.008000    0.040000
 -1.3806E+01  1.7723E+01  1.1395E+01
 -5.9140E+00  6.8957E+00  5.5080E+00
  5.2495E+02  2.6563E+03  5.6550E+01
HC            2406    1.008000    0.040000
 -1.4915E+01  1.7445E+01  1.0062E+01
 -1.3248E+00  3.9605E+00 -1.2416E+01
  1.8225E+03 -2.1830E+03 -1.1215E+03
CT            2407   12.011000    0.145000
  9.5593E+00  1.2327E+01  1.5566E+01
 -3.5121E+00 -8.9141E-01  2.4704E+00
 -3.3916E+03 -1.6969E+03  5.9608E+03
OH            2408    0.000000   -0.683000
  9.7160E+00  1.0954E+01  1.5285E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2409    1.008000    0.418000
  1.0098E+01  1.0612E+01  1.6079E+01
 -3.2604E+00  1.5561E+01  8.6859E+00
  1.1881E+03  9.6440E+02 -5.4727E+02
HC            2410    1.008000    0.040000
  8.7495E+00  1.2479E+01  1.6279E+01
 -1.3365E+01 -5.8351E-01 -8.4725E+00
  2.5131E+02 -1.4543E+03  1.0123E+03
HC            2411    1.008000    0.040000
  9.1910E+00  1.2987E+01  1.4780E+01
  2.5491E+01  1.6464E+01  1.9992E+00
  5.3300E+03  5.3317E+02 -9.0555E+02
HC            2412    1.008000    0.040000
  1.0472E+01  1.2563E+01  1.6113E+01
  4.6590E+00  1.0474E+01 -1.5139E+01
  6.4063E+02  5.0647E+03 -3.3885E+03
CT            2413   12.011000    0.145000
  4.2473E+00  5.2130E+00 -8.8073E+00
 -1.9254E+00 -7.3352E+00 -3.4770E+00
 -1.0668E+03 -3.1517E+03 -1.0968E+02
OH            2414    0.000000   -0.683000
  2.8906E+00  5.4277E+00 -8.4890E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2415    1.008000    0.418000
  2.8888E+00  6.0392E+00 -7.7686E+00
 -1.3008E+01 -1.2115E+01  1.0853E+01
 -2.4653E+03 -1.5327E+03  1.0034E+03
HC            2416    1.008000    0.040000
  4.4832E+00  4.7470E+00 -9.7640E+00
  2.1991E+01 -1.5581E+01  5.6795E+00
 -1.8064E+03  1.7391E+03 -3.7625E+02
HC            2417    1.008000    0.040000
  4.5602E+00  4.4061E+00 -8.1447E+00
 -2.2766E+01 -1.4287E+01 -1.3652E+00
  1.0288E+03  2.3251E+03  1.6147E+03
HC            2418    1.008000    0.040000
  4.7758E+00  6.1657E+00 -8.7740E+00
 -1.2813E+01  6.7501E-01 -3.1227E+01
  5.0962E+02 -1.7477E+03  3.8623E+02
CT            2419   12.011000    0.145000
 -9.2108E+00  4.0961E+00 -9.9620E+00
 -5.9931E+00  1.1244E+00  7.6220E-01
 -3.3139E+03  2.0532E+01  2.5456E+03
OH            2420    0.000000   -0.683000
 -8.8985E+00  5.3601E+00 -9.4208E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2421    1.008000    0.418000
 -9.6589E+00  5.9211E+00 -9.4319E+00
  5.5717E+00  7.7405E+00 -1.2300E+01
 -1.9042E+03 -3.1833E+03 -2.2215E+03
HC            2422    1.008000    0.040000
 -9.8711E+00  4.0163E+00 -1.0826E+01
  9.3884E+00 -4.0979E+01 -9.5589E+00
  1.7436E+03  1.4047E+03  1.2006E+03
HC            2423    1.008000    0.040000
 -9.7956E+00  3.5940E+00 -9.1913E+00
 -3.1233E+01 -1.4081E+01 -2.6223E+01
  6.0866E+02 -1.3082E+03 -1.8020E+03
HC            2424    1.008000    0.040000
 -8.3555E+00  3.5179E+00 -1.0312E+01
 -7.5757E+00  2.0559E+01 -4.1420E+01
 -1.0467E+03  1.9054E+03  1.7552E+03
CT            2425   12.011000    0.145000
 -5.6940E+00  1.6558E+01 -1.5562E+01
 -1.1418E-01 -5.3086E-01  6.1855E+00
  2.2803E+03  1.7156E+03  2.8875E+03
OH            2426    0.000000   -0.683000
 -4.6871E+00  1.5573E+01 -1.5634E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2427    1.008000    0.418000
 -4.5623E+00  1.5244E+01 -1.4757E+01
  1.0405E+01  3.6502E+00  2.9305E-02
  7.9627E+02  2.2309E+02 -1.2944E+02
HC            2428    1.008000    0.040000
 -5.6381E+00  1.7338E+01 -1.6321E+01
 -1.6204E+01 -1.6881E+01 -1.2983E+01
 -1.0608E+03 -2.3936E+03 -1.7682E+03
HC            2429    1.008000    0.040000
 -5.5249E+00  1.7101E+01 -1.4632E+01
 -1.8773E+01  1.9607E+01 -1.3259E+00
 -2.0718E+03 -6.2428E+02  3.2502E+02
HC            2430    1.008000    0.040000
 -6.6187E+00  1.5981E+01 -1.5593E+01
  6.1396E+00 -1.0384E+01 -1.0435E+01
 -9.4550E+02  2.9385E+03 -1.4306E+02
CT            2431   12.011000    0.145000
  6.3661E+00 -1.9680E+01  1.0081E+01
 -5.5605E+00  5.0492E-01  2.1001E+00
  5.8438E+03  5.7313E+02  1.6475E+03
OH            2432    0.000000   -0.683000
  6.4453E+00  1.9907E+01  1.0589E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2433    1.008000    0.418000
  7.0984E+00  1.9892E+01  1.1272E+01
  8.3093E+00 -3.7858E+01 -6.5071E+00
 -1.1137E+03 -1.5751E+03 -9.3186E+02
HC            2434    1.008000    0.040000
  6.2817E+00 -1.8896E+01  1.0833E+01
  6.7290E+00  8.5575E+00 -4.5663E+00
 -1.5374E+03 -6.3438E+02  1.0090E+02
HC            2435    1.008000    0.040000
  5.7002E+00 -1.9523E+01  9.2324E+00
  1.3309E+01  4.1374E+00 -1.2729E+01
  1.4497E+03 -1.2550E+03 -2.4001E+02
HC            2436    1.008000    0.040000
  7.3736E+00 -1.9560E+01  9.6827E+00
 -1.6302E+01  3.2596E+00 -2.6632E+01
 -1.1932E+03  1.8897E+03 -1.9461E+03
CT            2437   12.011000    0.145000
 -5.8240E+00 -2.0444E+01 -1.0110E+01
  1.0801E+00  2.7968E+00  8.5945E-01
  1.3895E+03  5.1956E+03 -3.0842E+03
OH            2438    0.000000   -0.683000
 -7.1478E+00 -1.9984E+01 -9.9547E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2439    1.008000    0.418000
 -7.6540E+00  2.0125E+01 -1.0064E+01
  5.7987E+00 -2.4658E+00 -1.0400E+01
 -2.4081E+03  1.8265E+03  2.4383E+02
HC            2440    1.008000    0.040000
 -5.1595E+00 -1.9586E+01 -1.0211E+01
  4.7884E+00 -1.5421E+00 -1.4162E+01
  7.0549E+02 -2.4064E+02  1.1039E+03
HC            2441    1.008000    0.040000
 -5.8809E+00  2.0073E+01 -1.1129E+01
  8.5505E+00  2.3780E+00  5.4501E-01
  3.1466E+03 -3.6659E+03  1.1298E+03
HC            2442    1.008000    0.040000
 -5.4748E+00  1.9793E+01 -9.3189E+00
  4.7380E+00 -3.4522E+00 -5.8640E+00
 -3.8912E+02 -1.3990E+03 -1.6157E+03
CT            2443   12.011000    0.145000
  2.6573E+00  8.3894E+00  2.7199E+00
  2.9989E+00  3.7245E+00  5.3837E-01
 -2.5915E+03 -2.8356E+03 -4.4163E+02
OH            2444    0.000000   -0.683000
  1.5517E+00  9.2570E+00  2.8331E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2445    1.008000    0.418000
  8.6646E-01  8.7329E+00  2.4474E+00
  1.6566E+01 -3.8546E+01  1.7591E+01
  1.9452E+03  6.6076E+02  8.5452E+02
HC            2446    1.008000    0.040000
  3.6566E+00  8.7048E+00  3.0201E+00
  6.1223E+00 -9.6724E+00  4.9110E+00
 -1.3847E+03  1.9092E+03  4.4816E+02
HC            2447    1.008000    0.040000
  2.7227E+00  7.9920E+00  1.7071E+00
 -1.7559E+01  2.5517E+01 -1.0342E+01
 -7.4264E+02  2.2151E+03 -2.7396E+02
HC            2448    1.008000    0.040000
  2.4934E+00  7.5156E+00  3.3506E+00
  1.1537E+01  1.4260E+01  1.8136E+01
 -1.6213E+02  9.3263E+02  9.9952E+02
CT            2449   12.011000    0.145000
 -1.6393E+01  2.9485E+00  5.5176E+00
 -6.7044E+00  2.7851E+00  1.0315E-01
 -5.4046E+03 -3.0002E+03  3.7425E+02
OH            2450    0.000000   -0.683000
 -1.6484E+01  2.7624E+00  4.1229E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2451    1.008000    0.418000
 -1.7017E+01  3.4044E+00  3.6790E+00
 -3.1699E+00 -3.0537E-01  3.3148E+00
 -7.3758E+02  1.3440E+03  2.8217E+03
HC            2452    1.008000    0.040000
 -1.6114E+01  3.9274E+00  5.9072E+00
 -1.3298E+01  5.1426E+00 -9.6191E-01
  2.7255E+03 -5.9668E+02 -1.7846E+03
HC            2453    1.008000    0.040000
 -1.5823E+01  2.0755E+00  5.8353E+00
 -5.9444E+00  1.1590E+00 -5.6156E+00
  2.0905E+03  1.9556E+03  1.2319E+03
HC            2454    1.008000    0.040000
 -1.7348E+01  2.7895E+00  6.0191E+00
 -8.9213E+00  1.3466E+01 -4.9145E-01
 -1.1585E+03  2.0592E+02 -1.3576E+03
CT            2455   12.011000    0.145000
  1.9095E+01 -1.4870E+01  3.4444E+00
 -6.8531E+00  7.6782E+00 -6.0660E+00
  9.0658E+02 -1.4270E+03  3.4409E+03
OH            2456    0.000000   -0.683000
  1.7952E+01 -1.5422E+01  4.0594E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2457    1.008000    0.418000
  1.8127E+01 -1.5196E+01  4.9602E+00
 -9.9926E+00  2.8847E+01 -4.2492E+00
 -5.2251E+03  2.0651E+02  9.4166E+01
HC            2458    1.008000    0.040000
  1.9280E+01 -1.5148E+01  2.4068E+00
 -6.3670E-01  1.0394E+01 -5.7297E+00
 -1.1799E+03  1.3243E+03 -2.5368E+02
HC            2459    1.008000    0.040000
  1.9939E+01 -1.5286E+01  3.9950E+00
 -9.8561E+00 -1.1485E+01 -1.5102E+01
  4.8811E+01 -9.8233E+02 -9.6442E+02
HC            2460    1.008000    0.040000
  1.9116E+01 -1.3796E+01  3.6282E+00
 -1.7567E+01  9.9398E+00 -1.6795E+01
 -9.0626E+02  3.1727E+02 -2.6177E+03
CT            2461   12.011000    0.145000
 -1.2160E+01 -7.7797E+00 -3.4058E+00
 -2.2915E+00 -2.7507E+00  6.3220E+00
  1.9894E+03  7.3301E+02  6.5645E+03
OH            2462    0.000000   -0.683000
 -1.1193E+01 -8.8011E+00 -3.5082E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2463    1.008000    0.418000
 -1.1297E+01 -9.4475E+00 -2.8266E+00
 -2.6975E+01 -1.8212E+01 -1.9258E+01
 -4.8143E+02  2.7678E+03  1.7423E+02
HC            2464    1.008000    0.040000
 -1.1746E+01 -6.9255E+00 -2.8703E+00
  6.1101E+00  2.7465E+00 -8.3534E+00
  1.9075E+03  1.2949E+02 -1.2156E+03
HC            2465    1.008000    0.040000
 -1.2939E+01 -8.0818E+00 -2.7061E+00
 -1.2742E+01 -1.4697E+01 -9.7427E+00
 -1.6290E+03 -6.6401E+02 -2.1250E+03
HC            2466    1.008000    0.040000
 -1.2599E+01 -7.3708E+00 -4.3157E+00
 -1.4926E+01 -1.7228E+01  5.5109E+00
  5.2888E+02 -2.2253E+03 -3.5712E+02
CT            2467   12.011000    0.145000
 -3.2240E+00  2.0061E+00 -8.7652E+00
 -4.3535E+00  2.2426E+00  1.0720E+00
 -1.5207E+03  7.2271E+03  2.7362E+03
OH            2468    0.000000   -0.683000
 -3.2762E+00  2.5207E+00 -1.0077E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2469    1.008000    0.418000
 -2.9426E+00  3.4039E+00 -1.0118E+01
 -1.2236E+01  4.7187E+00 -2.2180E+00
  7.8107E+02 -5.1356E+02  1.1631E+03
HC            2470    1.008000    0.040000
 -2.1982E+00  1.9668E+00 -8.3990E+00
 -6.6620E+00 -2.0890E+01  6.6136E+00
 -9.1990E+02 -1.5139E+03  1.2325E+03
HC            2471    1.008000    0.040000
 -3.8412E+00  1.1425E+00 -8.5176E+00
 -3.9437E+00 -4.0208E+00 -1.8111E+01
  1.7292E+03 -1.0133E+03 -1.7428E+03
HC            2472    1.008000    0.040000
 -3.7440E+00  2.8906E+00 -8.3972E+00
  6.3843E-01  1.5541E+01 -2.1855E+01
  1.0191E+03 -1.5456E+03  3.7924E+03
CT            2473   12.011000    0.145000
 -2.3273E+00  2.5314E+00  1.7475E+00
  7.3841E+00  5.2689E+00 -2.2018E+00
  7.2289E+03 -3.2215E+03  1.7030E+03
OH            2474    0.000000   -0.683000
 -2.2931E+00  3.0195E+00  3.0698E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2475    1.008000    0.418000
 -2.7658E+00  3.8367E+00  3.0275E+00
  1.8103E+01  1.1772E+01  1.1154E+01
  6.4441E+02  8.3215E+01  3.9024E+03
HC            2476    1.008000    0.040000
 -3.0480E+00  1.8456E+00  1.3019E+00
  2.3372E+01 -1.0903E+00 -1.9621E+01
 -2.1949E+03  1.4799E+03  4.6908E+03
HC            2477    1.008000    0.040000
 -1.4679E+00  1.8657E+00  1.8276E+00
  3.2614E+00  1.5848E+00  1.5861E+01
 -5.5426E+02 -1.2806E+03 -6.5836E+02
HC            2478    1.008000    0.040000
 -2.0692E+00  3.1550E+00  8.9156E-01
 -2.1475E+00  3.2184E+00 -6.7051E+00
 -4.4405E+02  2.8119E+03  2.2702E+03
CT            2479   12.011000    0.145000
  1.9014E+01 -9.2895E+00 -7.6781E-01
  5.0168E-01 -4.3474E-01 -3.2013E-01
 -5.3357E+02 -1.3057E+03  1.0247E+03
OH            2480    0.000000   -0.683000
  1.8065E+01 -9.6689E+00 -1.7387E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2481    1.008000    0.418000
  1.8587E+01 -9.5915E+00 -2.5228E+00
  1.8088E+00  1.6025E+00  1.3522E+00
 -2.7909E+03  1.7513E+02 -1.7662E+03
HC            2482    1.008000    0.040000
  1.9193E+01 -8.2233E+00 -9.0687E-01
 -7.5237E+00  1.1515E+00  1.0164E+00
 -9.8667E+02  3.7996E+02  2.9063E+03
HC            2483    1.008000    0.040000
  1.9984E+01 -9.7865E+00 -8.0379E-01
 -2.7423E+00 -7.0226E+00  1.6705E+00
 -6.2353E+02 -9.8516E+02 -1.9163E+03
HC            2484    1.008000    0.040000
  1.8591E+01 -9.5934E+00  1.8940E-01
 -2.5610E+00  1.4260E+01  3.2380E+00
 -1.9522E+02  3.4838E+03  1.1185E+03
CT            2485   12.011000    0.145000
  6.4273E-01  9.6060E+00  1.4726E+01
 -7.0603E-01  4.1266E+00  2.5190E+00
 -2.5975E+03  7.2551E+03  3.7450E+02
OH            2486    0.000000   -0.683000
  1.8803E+00  1.0096E+01  1.4261E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2487    1.008000    0.418000
  2.3393E+00  9.2746E+00  1.4349E+01
 -2.6569E-01 -1.3596E+00 -1.0127E+01
  5.3940E+03  2.9067E+03 -2.3434E+03
HC            2488    1.008000    0.040000
  2.8315E-01  1.0276E+01  1.5508E+01
 -2.2181E+01  4.0937E+00 -6.6406E+00
 -1.1075E+03 -1.0364E+03  4.0093E+02
HC            2489    1.008000    0.040000
  7.3259E-01  8.5771E+00  1.5075E+01
 -6.5846E+00  7.0659E-01 -5.7412E+00
 -1.8898E+03 -2.7548E+02 -2.1731E+03
HC            2490    1.008000    0.040000
  1.3308E-01  9.8229E+00  1.3788E+01
  9.2988E+00 -1.6073E+01 -8.2424E+00
 -4.0029E+03 -4.6701E+03  1.3997E+03
CT            2491   12.011000    0.145000
  1.2202E+01  1.0156E+01  1.7666E+01
  3.8343E-01 -4.5135E+00  2.8796E-01
 -2.4531E+02  8.0358E+02  3.4589E+03
OH            2492    0.000000   -0.683000
  1.0796E+01  1.0041E+01  1.7668E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2493    1.008000    0.418000
  1.0633E+01  9.1421E+00  1.7908E+01
 -1.4256E+00 -6.2959E+00 -2.2345E+01
  5.5797E+02  8.2960E+02  8.0430E+02
HC            2494    1.008000    0.040000
  1.2419E+01  1.1113E+01  1.8139E+01
 -7.5126E+00 -4.4142E-01 -4.1076E+00
  2.0738E+02  8.3650E+02 -1.5162E+03
HC            2495    1.008000    0.040000
  1.2832E+01  1.0094E+01  1.6779E+01
  3.2979E+01  7.2665E+00  2.0813E+01
 -3.8505E+03  2.3317E+02  1.2289E+01
HC            2496    1.008000    0.040000
  1.2783E+01  9.5223E+00  1.8336E+01
  2.1975E+01  2.4679E+01  1.1334E+01
 -3.2077E+03 -3.0391E+02  1.0855E+01
CT            2497   12.011000    0.145000
  4.7412E+00  4.9828E+00 -3.0203E+00
  3.1090E+00 -2.6459E+00  4.6258E+00
  2.6210E+03 -5.3261E+02 -8.8396E+02
OH            2498    0.000000   -0.683000
  5.2802E+00  6.2385E+00 -2.6726E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2499    1.008000    0.418000
  6.0099E+00  6.4818E+00 -3.2216E+00
 -9.2639E+00  4.3034E+00 -1.0810E+01
  1.2867E+03 -2.6823E+03  1.2330E+03
HC            2500    1.008000    0.040000
  4.5229E+00  5.0349E+00 -4.0869E+00
  2.1135E+01  1.2989E+01  1.1548E+00
 -1.2275E+03 -5.7592E+02  8.9336E+02
HC            2501    1.008000    0.040000
  3.8514E+00  4.8370E+00 -2.4078E+00
 -1.2139E+01  2.4675E+01 -9.1159E+00
  9.8563E+02 -1.6251E+03 -1.5062E+03
HC            2502    1.008000    0.040000
  5.4370E+00  4.1490E+00 -2.9272E+00
 -1.5493E+01 -2.0004E+01 -4.0328E+00
 -3.0146E+02  4.9618E+02  5.9125E+02
CT            2503   12.011000    0.145000
 -8.7773E+00  1.9120E+01 -7.1628E+00
 -7.2454E-02  2.5747E+00 -2.7889E+00
  5.2669E+02 -5.0555E+03  6.1678E+03
OH            2504    0.000000   -0.683000
 -9.5337E+00  1.9982E+01 -6.3424E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2505    1.008000    0.418000
 -1.0355E+01  1.9599E+01 -6.0745E+00
 -4.7716E+00  2.2330E+01  2.0950E+01
  3.1878E+02  1.1749E+03 -8.7529E+02
HC            2506    1.008000    0.040000
 -9.0095E+00  1.9155E+01 -8.2272E+00
  6.5658E+00 -1.0957E+01 -4.8903E+00
 -3.7043E+02  3.0387E+02  9.0281E+02
HC            2507    1.008000    0.040000
 -9.1653E+00  1.8210E+01 -6.7065E+00
 -1.2159E+01  6.9930E+00 -3.8845E+00
  1.0252E+03 -2.3820E+03 -3.1477E+03
HC            2508    1.008000    0.040000
 -7.7182E+00  1.9100E+01 -6.9057E+00
 -5.3798E+00 -1.0822E+01  2.0995E+01
 -4.6910E+02  1.5443E+03 -1.3635E+03
CT            2509   12.011000    0.145000
  1.2611E+01  1.3844E+01  6.9251E+00
 -1.1274E+00  7.7689E-01  4.4064E+00
 -5.7240E+03 -1.7543E+03  6.2395E+02
OH            2510    0.000000   -0.683000
  1.3009E+01  1.2532E+01  7.2534E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2511    1.008000    0.418000
  1.2496E+01  1.2307E+01  8.0147E+00
 -2.0268E+01  3.7355E-01 -1.2780E+01
 -2.6297E+02  1.6672E+03 -3.9423E+02
HC            2512    1.008000    0.040000
  1.1540E+01  1.3800E+01  7.1209E+00
 -2.4815E+00 -3.1194E+00 -3.4854E+00
 -5.9008E+02  7.5183E+02 -7.0992E+02
HC            2513    1.008000    0.040000
  1.2631E+01  1.3965E+01  5.8419E+00
 -8.5454E+00 -2.3176E+01  1.0205E+00
  1.2028E+03  1.4961E+03  1.0775E+03
HC            2514    1.008000    0.040000
  1.2991E+01  1.4657E+01  7.5438E+00
  3.1585E+01 -1.0450E+01  1.0068E+00
  2.2349E+03 -1.4872E+03 -1.1591E+03
CT            2515   12.011000    0.145000
 -4.9820E+00 -1.7514E+01 -1.7971E+00
  4.7303E+00  4.3225E+00 -2.0693E+00
  8.4072E+03 -3.3300E+02  4.6094E+03
OH            2516    0.000000   -0.683000
 -5.4207E+00 -1.6584E+01 -8.3331E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2517    1.008000    0.418000
 -5.6337E+00 -1.7025E+01 -2.5299E-02
 -1.8265E+01  9.2867E+00  7.7799E-01
 -3.0644E+02 -1.1444E+03 -1.2676E+03
HC            2518    1.008000    0.040000
 -4.3179E+00 -1.6940E+01 -2.4426E+00
  4.0136E+00 -1.1287E+00 -7.7578E+00
 -5.5675E+02 -1.8934E+03 -2.6063E+03
HC            2519    1.008000    0.040000
 -5.6047E+00 -1.8220E+01 -2.3476E+00
 -8.6693E+00  7.5970E+00  8.3499E+00
 -2.0484E+03  9.3736E+02  2.4136E+03
HC            2520    1.008000    0.040000
 -4.3332E+00 -1.8044E+01 -1.0994E+00
  7.4786E+00 -1.2649E+01 -1.6769E+01
  9.5177E+02 -3.9177E+03 -2.9443E+03
CT            2521   12.011000    0.145000
  5.9403E+00 -3.3421E+00  5.6297E+00
  4.7783E+00 -4.6149E+00  2.2963E+00
  1.6810E+03  2.2235E+03  7.0544E+02
OH            2522    0.000000   -0.683000
  6.6384E+00 -3.2148E+00  4.4113E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2523    1.008000    0.418000
  5.9854E+00 -3.3456E+00  3.7409E+00
  1.5761E+01 -3.7803E+01 -1.0649E+01
  1.4329E+03  2.5658E+03  1.3576E+03
HC            2524    1.008000    0.040000
  5.3569E+00 -2.4512E+00  5.8620E+00
 -3.5954E+00 -1.4905E+01  2.3401E+01
  1.1842E+03  5.0093E+01  5.4508E+02
HC            2525    1.008000    0.040000
  6.7663E+00 -3.4656E+00  6.3301E+00
 -1.1623E+01 -8.3564E+00  2.1931E+01
 -3.0626E+03 -4.7174E+02  3.3841E+03
HC            2526    1.008000    0.040000
  5.1916E+00 -4.1322E+00  5.6874E+00
  2.1963E+00 -3.4615E+00 -1.1825E+01
  1.9618E+03 -1.4296E+03 -1.3863E+03
CT            2527   12.011000    0.145000
  2.8189E+00 -3.0901E+00 -1.9847E+01
  3.5337E+00 -7.1417E-01  7.5520E+00
  1.7068E+03  4.9977E+03  2.0954E+03
OH            2528    0.000000   -0.683000
  4.0913E+00 -3.1153E+00  2.0446E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2529    1.008000    0.418000
  4.6151E+00 -2.9961E+00 -1.9677E+01
 -7.1471E+00  1.3222E+01  3.0908E+00
  1.7094E+03 -1.0721E+03 -1.4677E+03
HC            2530    1.008000    0.040000
  1.9979E+00 -3.1571E+00  2.0339E+01
  2.2603E+01 -2.7418E+01 -1.4029E+01
  5.5625E+02 -1.8381E+03  1.9464E+03
HC            2531    1.008000    0.040000
  2.9497E+00 -2.1240E+00 -1.9360E+01
  1.7930E+01 -2.1753E+00  7.0129E+00
 -3.5454E+03  5.1821E+02  4.4963E+01
HC            2532    1.008000    0.040000
  2.7911E+00 -3.8048E+00 -1.9025E+01
  1.9611E+00 -6.9501E+00  2.1651E+00
 -7.6628E+01 -2.0968E+03 -1.9964E+03
CT            2533   12.011000    0.145000
 -1.4372E+01 -1.0763E+01 -2.0378E+01
  9.4384E-01 -7.3667E+00 -9.9331E-01
  7.6546E+03 -3.3651E+03 -6.0605E+02
OH            2534    0.000000   -0.683000
 -1.4321E+01 -1.0561E+01  1.9128E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2535    1.008000    0.418000
 -1.5029E+01 -9.9373E+00  1.9090E+01
 -4.3377E+00 -2.9404E+00  2.0838E+01
  1.6258E+03 -2.6295E+02 -6.1711E+03
HC            2536    1.008000    0.040000
 -1.3790E+01 -1.1669E+01 -2.0205E+01
  4.0310E+00 -6.7496E+00 -7.8295E+00
 -1.9252E+03 -1.5722E+03  1.0175E+03
HC            2537    1.008000    0.040000
 -1.5395E+01 -1.0824E+01 -2.0006E+01
 -3.5770E+00  8.9312E+00 -9.8173E+00
  1.1535E+03  8.7472E+02  6.5645E+02
HC            2538    1.008000    0.040000
 -1.3773E+01 -1.0046E+01 -1.9817E+01
 -1.5390E+01 -1.0735E+01  2.2194E+01
 -2.9857E+03  1.5775E+03  3.6161E+02
CT            2539   12.011000    0.145000
 -1.3325E+00 -1.3662E+01  5.0833E+00
 -3.1447E+00 -4.2523E-01  7.8814E-01
  4.4319E+03  6.1562E+02  4.8150E+02
OH            2540    0.000000   -0.683000
 -1.4946E+00 -1.2264E+01  5.1769E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2541    1.008000    0.418000
 -6.9800E-01 -1.1875E+01  4.8504E+00
 -4.5673E+00 -1.6923E+00 -1.3824E+01
  1.6329E+02 -9.6840E+02 -1.1953E+02
HC            2542    1.008000    0.040000
 -5.9501E-01 -1.3922E+01  5.8427E+00
 -1.6788E+01 -4.8459E+00  1.2991E+01
 -2.0607E+02 -6.2325E+02 -5.0572E+01
HC            2543    1.008000    0.040000
 -9.2902E-01 -1.3939E+01  4.1095E+00
 -1.9871E+01  3.9701E+00 -7.7764E+00
 -2.7355E+02  1.1153E+03 -2.1382E+02
HC            2544    1.008000    0.040000
 -2.1435E+00 -1.4381E+01  5.2009E+00
  2.4694E+00 -1.1959E+01 -2.4242E+01
 -1.2056E+03  3.4255E+03  6.3125E+02
CT            2545   12.011000    0.145000
  1.1080E+01  2.6175E+00 -9.2916E+00
  5.7764E-01 -6.2687E+00  2.3495E+00
  1.9838E+03 -5.3110E+03  2.2055E+03
OH            2546    0.000000   -0.683000
  1.1178E+01  3.1253E+00 -7.9799E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2547    1.008000    0.418000
  1.0622E+01  2.6357E+00 -7.3935E+00
  1.5241E+01 -1.6150E+01  1.8206E+00
 -2.1114E+03  2.1697E+03 -1.5620E+03
HC            2548    1.008000    0.040000
  1.1456E+01  1.5970E+00 -9.2168E+00
 -9.9586E+00 -1.2097E+01 -1.7193E+01
  5.0507E+02 -6.5305E+01 -1.7856E+03
HC            2549    1.008000    0.040000
  1.1667E+01  3.2014E+00 -1.0001E+01
 -1.8048E+01  1.8149E+01  5.6927E+00
 -1.4715E+03 -6.5990E+01  2.8012E+02
HC            2550    1.008000    0.040000
  1.0039E+01  2.4829E+00 -9.5841E+00
 -5.1777E+00  5.9338E+00  1.5969E+01
  6.0392E+02  1.2312E+03 -8.9330E+02
CT            2551   12.011000    0.145000
 -1.3710E+01  4.8374E+00 -1.3471E+01
  1.7203E+00 -2.3200E+00  1.3820E+00
  3.5461E+01 -5.9580E+03  4.1323E+03
OH            2552    0.000000   -0.683000
 -1.3880E+01  4.0331E+00 -1.4616E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2553    1.008000    0.418000
 -1.3144E+01  3.4513E+00 -1.4507E+01
 -6.9954E+00 -2.3201E+01 -4.9059E+01
 -2.7632E+03 -2.3146E+03 -7.0817E+03
HC            2554    1.008000    0.040000
 -1.4302E+01  5.7402E+00 -1.3322E+01
  3.1001E+01  1.6379E+01  1.3617E+01
  1.8803E+03 -1.4766E+02 -3.2558E+03
HC            2555    1.008000    0.040000
 -1.2622E+01  4.9150E+00 -1.3470E+01
  1.0340E+00  1.1297E+01 -9.4633E+00
 -5.6150E+02  6.2596E+03  1.6818E+03
HC            2556    1.008000    0.040000
 -1.3846E+01  4.1602E+00 -1.2628E+01
  3.6336E+01 -6.0008E-01  9.8713E+00
 -5.5427E+02  1.6904E+03  4.1105E+02
CT            2557   12.011000    0.145000
 -1.7134E+01  3.4122E+00 -1.2066E+01
  2.8639E+00 -1.7349E+00 -1.0058E+00
 -2.9355E+03  2.9531E+03  2.3155E+03
OH            2558    0.000000   -0.683000
 -1.7353E+01  2.4659E+00 -1.1044E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2559    1.008000    0.418000
 -1.8218E+01  2.6626E+00 -1.0720E+01
 -8.7037E+00  2.0772E+01 -3.1261E+01
  1.3102E+03 -7.5041E+02 -7.3065E+02
HC            2560    1.008000    0.040000
 -1.7262E+01  4.4206E+00 -1.1673E+01
 -2.5792E+01 -4.7012E+00 -6.3982E-01
  9.1156E+02 -3.9579E+02 -2.3445E+02
HC            2561    1.008000    0.040000
 -1.8064E+01  3.2201E+00 -1.2601E+01
 -3.8113E+00  2.7992E+00  8.6800E+00
  2.7113E+03  1.4868E+03 -4.5273E+03
HC            2562    1.008000    0.040000
 -1.6147E+01  3.2301E+00 -1.2491E+01
  1.2395E+00  9.2138E+00 -9.9557E+00
 -1.7263E+03  4.7563E+02 -3.1277E+03
CT            2563   12.011000    0.145000
 -2.5685E+00  4.6905E-01 -1.7636E+01
  1.7002E+00  9.8352E+00  3.7006E+00
  5.7221E+03 -2.1870E+03 -9.5552E+02
OH            2564    0.000000   -0.683000
 -2.3672E+00  9.1969E-01 -1.8956E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2565    1.008000    0.418000
 -1.8977E+00  1.7377E+00 -1.8897E+01
 -2.1367E+01  1.3446E+01 -5.1144E+00
 -1.7648E+03  4.4917E+02 -4.9877E+02
HC            2566    1.008000    0.040000
 -3.4336E+00  6.5535E-01 -1.6999E+01
  3.8099E+00  3.5877E+00  8.5010E+00
 -1.2430E+03  1.3280E+03 -3.1927E+03
HC            2567    1.008000    0.040000
 -1.7711E+00  7.5629E-01 -1.6950E+01
  8.2443E+00 -3.1210E+01  1.6031E+01
  8.6560E+02 -2.3748E+03 -1.9978E+03
HC            2568    1.008000    0.040000
 -2.5494E+00 -6.0922E-01 -1.7794E+01
  4.8337E+00  1.0619E+01 -1.4973E+00
  9.8834E+02 -4.5629E+02  2.4610E+03
CT            2569   12.011000    0.145000
 -1.8050E+01 -1.2835E+01  1.2496E+00
  1.7025E+00  2.1317E+00  6.7352E-02
 -2.6574E+03 -3.4514E+03 -1.5763E+02
OH            2570    0.000000   -0.683000
 -1.7221E+01 -1.3471E+01  3.0287E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2571    1.008000    0.418000
 -1.7276E+01 -1.3092E+01 -5.6113E-01
  1.9705E+00 -2.5617E+01 -1.2297E+01
 -3.1383E+03  5.8135E+02  1.6206E+03
HC            2572    1.008000    0.040000
 -1.8093E+01 -1.1747E+01  1.3020E+00
  1.2805E+01  4.0202E+00 -1.9847E+01
  2.5377E+03 -2.9303E+02 -2.3310E+03
HC            2573    1.008000    0.040000
 -1.7807E+01 -1.3188E+01  2.2520E+00
  2.7520E+01  1.5907E+01 -4.9500E-01
  5.7487E+02  8.1996E+02 -5.3778E+02
HC            2574    1.008000    0.040000
 -1.9080E+01 -1.3141E+01  1.0703E+00
 -4.3936E+00  1.8970E+01  4.5170E+00
 -1.1771E+02  6.9080E+02 -6.5126E+02
CT            2575   12.011000    0.145000
 -4.8016E-01  1.7367E+01  7.8160E+00
  7.5296E-01  4.6070E+00 -2.0514E+00
 -2.2255E+03  5.9768E+03  9.2549E+02
OH            2576    0.000000   -0.683000
  5.1727E-01  1.7626E+01  8.7781E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2577    1.008000    0.418000
  2.3846E-01  1.7278E+01  9.6111E+00
 -5.6075E+00  4.0687E-01 -1.6650E+00
  1.2468E+03  1.4079E+03  9.1621E+02
HC            2578    1.008000    0.040000
 -1.4254E+00  1.7895E+01  7.9404E+00
 -6.8851E+00 -1.2215E+01  1.7008E+01
  1.4154E+03  1.4680E+03  3.2487E+03
HC            2579    1.008000    0.040000
 -9.0017E-01  1.6365E+01  7.9055E+00
  8.3135E+00  1.5958E+00  5.3592E-01
  2.6517E+03 -9.2949E+02 -3.1051E+03
HC            2580    1.008000    0.040000
 -1.6953E-01  1.7686E+01  6.8212E+00
 -2.6913E+00 -4.2330E+01 -2.0784E+01
  5.5335E+01 -4.8340E+03  9.3671E+01
CT            2581   12.011000    0.145000
  1.2602E+01 -5.9011E+00  1.3948E+01
 -2.3362E+00  6.8414E+00  8.1537E-01
  1.5733E+03 -2.4248E+03  3.5110E+03
OH            2582    0.000000   -0.683000
  1.3934E+01 -5.4446E+00  1.3869E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2583    1.008000    0.418000
  1.4408E+01 -6.1907E+00  1.3534E+01
 -1.9745E+01 -1.6357E+01  6.4330E+00
 -4.7138E+02 -7.8627E+02  2.7631E+03
HC            2584    1.008000    0.040000
  1.2106E+01 -5.4612E+00  1.4813E+01
  2.5162E+00 -1.0093E+01  1.2732E+01
 -4.6709E+02  8.2167E+02 -1.2872E+03
HC            2585    1.008000    0.040000
  1.2612E+01 -6.9590E+00  1.4210E+01
 -1.3128E+01  5.1511E+00 -5.0227E+00
  3.0307E+02 -6.2396E+01  2.4062E+02
HC            2586    1.008000    0.040000
  1.1999E+01 -5.8855E+00  1.3040E+01
  1.1146E+01  6.8867E+00 -8.4373E+00
  1.8243E+03  2.1136E+03 -6.1135E+02
CT            2587   12.011000    0.145000
  5.0138E+00  1.8738E+01 -1.1611E+01
  3.0870E+00 -4.7304E+00 -4.3781E+00
  1.6419E+03  4.0077E+03 -2.2019E+03
OH            2588    0.000000   -0.683000
  3.9231E+00  1.8856E+01 -1.2497E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2589    1.008000    0.418000
  3.8866E+00  1.7948E+01 -1.2753E+01
 -2.8597E+01 -1.1999E+00  5.0306E+00
 -6.1564E+03  1.4754E+03 -3.1228E+03
HC            2590    1.008000    0.040000
  4.8271E+00  1.8081E+01 -1.0761E+01
  1.1619E+01 -1.6578E+00 -9.1183E-03
  9.6646E+01  7.0014E+02 -2.6366E+01
HC            2591    1.008000    0.040000
  5.4110E+00  1.9702E+01 -1.1293E+01
 -4.1179E+00  1.9816E-01 -9.9789E+00
 -2.9233E+03  9.8565E+02  1.4530E+03
HC            2592    1.008000    0.040000
  5.8965E+00  1.8386E+01 -1.2145E+01
 -4.2282E+00 -5.5759E+00 -1.6278E+01
 -1.5768E+03 -2.5192E+03 -8.9921E+02
CT            2593   12.011000    0.145000
 -1.8274E+01 -8.9023E+00 -1.1413E+01
 -1.4086E+00 -9.6744E-01  2.7001E+00
 -1.7400E+03 -1.4374E+03 -2.5349E+03
OH            2594    0.000000   -0.683000
 -1.7443E+01 -1.0041E+01 -1.1391E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2595    1.008000    0.418000
 -1.7193E+01 -1.0330E+01 -1.0527E+01
 -3.8579E+00 -2.0146E+01 -5.1073E+00
 -1.3693E+03  2.0252E+03  3.6607E+02
HC            2596    1.008000    0.040000
 -1.9191E+01 -9.0614E+00 -1.0846E+01
  7.5780E+00 -1.9908E+01  1.2875E+01
  1.1182E+03 -1.3931E+02  1.0214E+03
HC            2597    1.008000    0.040000
 -1.8548E+01 -8.7313E+00 -1.2454E+01
  1.6662E+01  1.3368E+01 -2.3165E-01
  1.4174E+02 -4.9841E+02  1.7875E+02
HC            2598    1.008000    0.040000
 -1.7820E+01 -7.9373E+00 -1.1187E+01
 -8.2022E+00  2.8119E+00  4.9057E-01
  2.5406E+02 -1.1223E+03  2.6618E+03
CT            2599   12.011000    0.145000
 -9.1010E+00 -6.4384E-02  3.7532E+00
  1.4241E+00 -1.1892E+00  8.8335E-01
  1.9393E+03 -1.1950E+03  9.8883E+02
OH            2600    0.000000   -0.683000
 -9.2721E+00  6.3491E-01  4.9655E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2601    1.008000    0.418000
 -1.0178E+01  9.0523E-01  4.9659E+00
 -1.9994E+00 -6.5083E+00  2.2869E+00
  7.1594E+02  1.8180E+03 -2.9889E+03
HC            2602    1.008000    0.040000
 -9.9864E+00 -6.9971E-01  3.7754E+00
  4.7519E+00 -6.1772E+00 -5.6210E+00
  1.3140E+03 -1.8779E+03 -3.4946E+03
HC            2603    1.008000    0.040000
 -8.1716E+00 -6.1419E-01  3.9016E+00
 -6.5147E+00 -9.9095E+00  2.2316E+01
 -1.2198E+03 -1.4812E+03  1.9369E+02
HC            2604    1.008000    0.040000
 -8.9982E+00  5.4366E-01  2.8544E+00
  2.1780E+00 -3.6369E+00 -6.9639E-01
 -2.2154E+03  7.1540E+02  4.0617E+02
CT            2605   12.011000    0.145000
 -7.0665E-01 -1.2350E+01  1.2375E+01
  1.7424E+00 -2.0039E+00  2.4074E+00
 -2.2595E+03  1.6446E+03 -2.1428E+03
OH            2606    0.000000   -0.683000
 -7.6503E-01 -1.3450E+01  1.1496E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2607    1.008000    0.418000
 -5.9723E-01 -1.3019E+01  1.0672E+01
 -1.7104E+01  3.5616E+01  1.3040E+01
 -2.2258E+03  1.7868E+03  2.0070E+03
HC            2608    1.008000    0.040000
  9.0329E-02 -1.1683E+01  1.2045E+01
 -2.6942E+00  1.6650E+00 -1.0347E+00
  4.0818E+02  1.2993E+02  1.5064E+03
HC            2609    1.008000    0.040000
 -6.2452E-01 -1.2586E+01  1.3436E+01
  1.1524E+01  2.4368E+00  2.7497E+00
  6.1331E+02 -4.7967E+02 -4.7277E+02
HC            2610    1.008000    0.040000
 -1.6380E+00 -1.1812E+01  1.2197E+01
  6.9081E+00  3.9353E+00 -7.5884E+00
  4.6849E+02  1.2124E+03  4.9084E+02
CT            2611   12.011000    0.145000
 -5.5839E+00  4.9006E+00 -1.1194E+01
  1.0935E+00  1.0046E+00  3.3108E+00
  2.3871E+03  3.0445E+03  8.1672E+03
OH            2612    0.000000   -0.683000
 -4.5141E+00  5.6171E+00 -1.1768E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2613    1.008000    0.418000
 -3.7414E+00  5.3069E+00 -1.1322E+01
 -7.2219E+00  1.1833E+01  2.2243E+01
 -2.1268E+02  1.7574E+03  2.7955E+02
HC            2614    1.008000    0.040000
 -5.6583E+00  3.8176E+00 -1.1291E+01
 -8.8495E+00  2.1636E+00 -3.4748E+00
  1.4387E+03  6.5278E+02 -3.4392E+03
HC            2615    1.008000    0.040000
 -6.5021E+00  5.4418E+00 -1.0965E+01
  1.1574E+01  1.7745E+01  7.5741E+00
 -6.9002E+02  2.9319E+02 -5.7983E+03
HC            2616    1.008000    0.040000
 -5.4180E+00  4.8904E+00 -1.0116E+01
  8.6900E+00  7.9133E+00  2.3058E+00
  3.7366E+03  7.2776E+02  1.3573E+02
CT            2617   12.011000    0.145000
  9.9199E+00 -1.2501E+01  1.2983E+01
 -1.4356E+00  8.6549E-01  2.8707E+00
 -2.0237E+03  4.8854E+02  2.3741E+03
OH            2618    0.000000   -0.683000
  1.0149E+01 -1.3798E+01  1.3485E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2619    1.008000    0.418000
  1.0977E+01 -1.3716E+01  1.3933E+01
 -2.3261E+00  1.4283E+01  2.1405E+00
 -5.9723E+02 -1.2846E+03  7.0964E+02
HC            2620    1.008000    0.040000
  9.4875E+00 -1.1887E+01  1.3773E+01
  3.7564E+00 -2.8977E+01  3.1082E+01
  3.2586E+03 -1.1600E+03  1.2025E+03
HC            2621    1.008000    0.040000
  9.1571E+00 -1.2357E+01  1.2218E+01
  3.8989E+00  1.4380E+01 -1.8908E-01
  1.9060E+03 -2.7659E+03 -1.9588E+03
HC            2622    1.008000    0.040000
  1.0918E+01 -1.2210E+01  1.2654E+01
 -1.5807E+00 -8.6583E+00 -6.5431E+00
 -1.7050E+03  2.6683E+03 -1.3995E+03
CT            2623   12.011000    0.145000
 -1.0102E+01 -5.2092E+00  1.0023E+00
  3.7450E+00 -6.4356E-01 -1.7782E+00
  7.7792E+03 -1.4095E+03 -3.5308E+03
OH            2624    0.000000   -0.683000
 -9.4888E+00 -4.4742E+00  2.0376E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2625    1.008000    0.418000
 -8.6313E+00 -4.1770E+00  1.7740E+00
  2.3422E+00 -3.8097E+00  3.2088E+00
 -1.1079E+03  1.3359E+03 -1.7356E+03
HC            2626    1.008000    0.040000
 -1.0689E+01 -6.0770E+00  1.3023E+00
  5.5859E+00  1.0448E+01  4.0204E+01
 -1.2784E+03  3.5378E+03  1.5342E+03
HC            2627    1.008000    0.040000
 -9.2639E+00 -5.7299E+00  5.3902E-01
 -8.7353E+00 -3.0289E+01  6.5848E+00
 -5.5855E+02 -5.5494E+00 -3.0593E+02
HC            2628    1.008000    0.040000
 -1.0485E+01 -4.5598E+00  2.1486E-01
  4.7048E+00 -1.2733E+01 -1.2548E+01
 -2.2405E+03 -9.9678E+02  7.6647E+02
CT            2629   12.011000    0.145000
 -1.4845E+01  1.1377E+01  6.4352E+00
  2.1084E+00  1.5094E+00 -3.2583E+00
 -8.7473E+02  4.8165E+03  1.5216E+03
OH            2630    0.000000   -0.683000
 -1.6043E+01  1.1437E+01  5.6935E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2631    1.008000    0.418000
 -1.6604E+01  1.0871E+01  6.2014E+00
  6.7036E+00  9.4844E+00  1.8950E+01
  1.2983E+03 -8.7125E+02 -6.1787E+02
HC            2632    1.008000    0.040000
 -1.4087E+01  1.0658E+01  6.1242E+00
 -5.1156E+00 -1.2894E+01  1.0937E+01
 -1.0140E+03 -7.7793E+01  2.5125E+02
HC            2633    1.008000    0.040000
 -1.5219E+01  1.1159E+01  7.4358E+00
  1.1753E+00 -1.5496E+01 -6.9991E+00
  2.9056E+03 -1.0601E+03  6.7286E+02
HC            2634    1.008000    0.040000
 -1.4575E+01  1.2427E+01  6.3295E+00
 -9.8009E+00  3.3871E+00 -1.8728E+01
  3.4316E+03 -1.0338E+03  8.7846E+02
CT            2635   12.011000    0.145000
  2.4342E+00  7.3290E+00 -1.5452E+00
  2.2655E+00 -5.4909E+00 -8.0801E+00
  5.2263E+03 -2.9650E+03 -1.3324E+03
OH            2636    0.000000   -0.683000
  3.1240E+00  8.4320E+00 -2.0890E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2637    1.008000    0.418000
  4.0473E+00  8.2677E+00 -2.2051E+00
 -3.0474E+00 -1.9204E+01 -3.2503E-01
 -9.8127E+02 -6.4597E+03  1.0004E+03
HC            2638    1.008000    0.040000
  1.3618E+00  7.5087E+00 -1.4695E+00
  2.9827E+00  3.2508E+00 -1.6675E+01
  1.1894E+03  1.0530E+03  3.8089E+03
HC            2639    1.008000    0.040000
  3.0896E+00  7.1729E+00 -6.8831E-01
 -1.0957E+01 -3.9723E+01 -2.5944E+00
 -5.2139E+03 -3.0614E+03  2.8408E+03
HC            2640    1.008000    0.040000
  2.5528E+00  6.4726E+00 -2.2090E+00
  6.6902E+00 -2.7220E+00 -1.0915E+01
 -4.5803E+02 -3.9999E+02  7.6101E+00
CT            2641   12.011000    0.145000
 -8.5239E+00  1.0599E+01 -5.9997E+00
 -1.7603E+00 -8.5737E+00 -2.6547E+00
 -6.6334E+03  3.5390E+03  2.9668E+03
OH            2642    0.000000   -0.683000
 -8.3344E+00  1.0160E+01 -4.6735E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2643    1.008000    0.418000
 -8.6171E+00  9.2580E+00 -4.6898E+00
  1.3022E+01 -4.2883E+00 -2.0340E-01
  2.1876E+03 -6.2070E+02  1.2704E+03
HC            2644    1.008000    0.040000
 -7.7460E+00  1.0546E+01 -6.7614E+00
 -4.7244E+00 -2.2603E+01 -4.9802E+00
 -2.0586E+02 -4.1500E+03  9.3588E+02
HC            2645    1.008000    0.040000
 -8.7318E+00  1.1666E+01 -5.9159E+00
  2.1484E+00 -8.2985E+00  4.2994E+00
  4.2393E+02  3.5685E+02  1.7639E+03
HC            2646    1.008000    0.040000
 -9.5295E+00  1.0272E+01 -6.2633E+00
 -1.2528E+01  2.7868E+01 -1.2722E+01
  2.3908E+03 -3.5220E+02 -3.8718E+03
CT            2647   12.011000    0.145000
 -1.5351E+01  2.0359E+01  1.5358E+01
  9.5986E-03 -3.5027E-02 -6.6872E-01
 -1.6742E+03  1.8273E+03  7.1285E+03
OH            2648    0.000000   -0.683000
 -1.4404E+01 -1.9497E+01  1.5318E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2649    1.008000    0.418000
 -1.4671E+01 -1.9022E+01  1.4546E+01
 -2.8426E+00 -1.0899E+01 -5.9378E+00
 -1.4553E+02  1.8100E+03  1.5385E+03
HC            2650    1.008000    0.040000
 -1.5013E+01  1.9797E+01  1.6229E+01
 -5.8409E+00 -3.0460E+00 -2.8978E-01
 -1.4108E+03 -3.5086E+03 -1.2824E+03
HC            2651    1.008000    0.040000
 -1.5496E+01  1.9807E+01  1.4429E+01
 -5.5257E+00  1.6745E+01 -1.0198E+01
 -1.7375E+02  6.3026E+02  7.2822E+02
HC            2652    1.008000    0.040000
 -1.6223E+01 -1.9999E+01  1.5721E+01
 -1.2025E+01 -2.3743E+01  7.9871E+00
 -2.7616E+03 -3.0758E+03 -2.2673E+03
CT            2653   12.011000    0.145000
 -4.8528E+00 -5.0922E+00  1.9960E+01
  4.2685E+00  7.3885E+00 -3.4198E+00
  1.0074E+03  4.4131E+02  5.4501E+02
OH            2654    0.000000   -0.683000
 -3.6209E+00 -5.7717E+00  2.0055E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2655    1.008000    0.418000
 -3.7011E+00 -6.2870E+00  1.9267E+01
  5.4483E+00  6.6617E+00 -5.0366E+00
  1.6405E+03 -1.3032E+03  8.4559E+02
HC            2656    1.008000    0.040000
 -5.1068E+00 -4.8169E+00  1.8937E+01
 -1.1597E+01 -1.0030E+00 -2.0556E+00
  2.0057E+03  1.4960E+03  4.5669E+02
HC            2657    1.008000    0.040000
 -4.8634E+00 -4.2306E+00 -2.0272E+01
  5.6999E+00  5.2005E+00 -5.5008E-01
  2.2498E+02  4.6369E+02 -5.4168E+02
HC            2658    1.008000    0.040000
 -5.7314E+00 -5.6817E+00  2.0222E+01
  1.6327E+01 -5.3489E+00  1.0248E+01
  1.8808E+03 -1.7436E+03  9.7760E+02
CT            2659   12.011000    0.145000
  5.7126E+00 -6.1445E+00  4.4287E-01
 -1.4564E+00 -1.3031E+00  1.1835E+00
 -2.5143E+03 -2.0467E+03  3.5782E+03
OH            2660    0.000000   -0.683000
  6.7156E+00 -7.1240E+00  5.9414E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2661    1.008000    0.418000
  7.5620E+00 -6.7400E+00  4.2360E-01
 -2.5528E+00  8.4004E+00  5.6068E+00
 -8.8614E+02  8.7798E+02 -1.7258E+03
HC            2662    1.008000    0.040000
  5.7107E+00 -5.5027E+00 -4.3813E-01
 -5.6630E+00 -2.6175E+00  2.1231E-01
  2.3957E+03 -1.2718E+01  5.0070E+02
HC            2663    1.008000    0.040000
  5.7792E+00 -5.6164E+00  1.3940E+00
 -9.2218E+00  2.7261E+00 -4.2709E-01
 -1.3827E+03  3.4542E+03 -1.6403E+03
HC            2664    1.008000    0.040000
  4.7441E+00 -6.6427E+00  3.9926E-01
  6.2656E+00 -1.5928E+01 -2.3505E+01
  6.3636E+02 -8.2029E+01  2.0649E+02
CT            2665   12.011000    0.145000
  1.5918E+01  1.1919E+01 -2.6266E+00
 -2.2659E+00  4.8922E-01  9.4662E+00
  2.5712E+03 -1.3126E+03 -3.5172E+02
OH            2666    0.000000   -0.683000
  1.5670E+01  1.0531E+01 -2.6244E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2667    1.008000    0.418000
  1.5510E+01  1.0240E+01 -3.5092E+00
 -9.4396E+00  1.7101E+01 -4.3904E+00
  4.6494E+02  1.4589E+03 -1.9908E+02
HC            2668    1.008000    0.040000
  1.5277E+01  1.2335E+01 -3.4035E+00
  7.2080E+00 -5.8509E+00 -2.0883E+00
 -1.3739E+02  1.2416E+03  1.4901E+03
HC            2669    1.008000    0.040000
  1.6937E+01  1.2105E+01 -2.9672E+00
 -8.2849E+00 -2.2168E+01 -2.6221E+01
 -1.4264E+03 -7.8883E+02 -3.1107E+02
HC            2670    1.008000    0.040000
  1.5781E+01  1.2322E+01 -1.6230E+00
  1.8413E+00  1.9296E+01  2.8953E+00
 -1.1881E+03  1.5422E+03 -1.1811E+03
CT            2671   12.011000    0.145000
 -1.5137E+01 -1.5433E+01  2.2164E+00
 -7.4993E-02  1.7464E-02  1.5041E+00
 -8.5753E+01  3.3402E+03 -1.1388E+03
OH            2672    0.000000   -0.683000
 -1.6544E+01 -1.5483E+01  2.1453E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2673    1.008000    0.418000
 -1.6889E+01 -1.5079E+01  1.3636E+00
 -1.9890E+01 -5.9199E+00  5.1326E+00
  1.9963E+03  2.9682E+03  1.5331E+03
HC            2674    1.008000    0.040000
 -1.4555E+01 -1.5516E+01  1.2985E+00
 -1.8422E+00  3.2049E+01 -3.6469E+00
 -2.6653E+03 -1.2554E+03 -2.7359E+02
HC            2675    1.008000    0.040000
 -1.4774E+01 -1.6141E+01  2.9621E+00
 -1.2519E+00 -1.2869E+00  8.4329E-01
  3.0095E+02  1.3936E+03  7.8769E+02
HC            2676    1.008000    0.040000
 -1.4921E+01 -1.4384E+01  2.4172E+00
  2.3916E+01  1.1417E+00 -2.4047E+01
  1.8167E+03 -1.5035E+03  1.1896E+03
CT            2677   12.011000    0.145000
 -1.1287E+01  5.5850E+00  1.4766E+01
  1.4285E+00 -7.7352E+00 -5.7679E+00
 -4.0368E+02 -4.9725E+02 -2.1289E+03
OH            2678    0.000000   -0.683000
 -1.2676E+01  5.5099E+00  1.4539E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2679    1.008000    0.418000
 -1.2581E+01  5.0238E+00  1.3734E+01
  3.1639E+01  2.1411E+00  1.2046E+00
 -6.0701E+03  1.5117E+03  6.6113E+02
HC            2680    1.008000    0.040000
 -1.1096E+01  6.3042E+00  1.5562E+01
 -5.1966E+00 -2.5760E+00 -8.7380E+00
  7.0347E+02 -3.0731E+03  2.1069E+03
HC            2681    1.008000    0.040000
 -1.0614E+01  5.9580E+00  1.3993E+01
  2.2890E+01  1.0823E+01  1.9961E+01
 -2.9806E+03  4.6308E+02 -2.7077E+02
HC            2682    1.008000    0.040000
 -1.1058E+01  4.5218E+00  1.4838E+01
 -2.0751E+01 -1.3045E+01 -6.4174E+00
  2.2205E+03  1.5140E+03  4.1980E+03
CT            2683   12.011000    0.145000
 -1.5113E+01  1.5949E+01  1.8994E+01
 -2.9805E-01 -3.2287E+00  8.2836E-01
 -1.4671E+03  5.8531E+03 -4.2869E+03
OH            2684    0.000000   -0.683000
 -1.6265E+01  1.6252E+01  1.9748E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2685    1.008000    0.418000
 -1.6591E+01  1.5376E+01  1.9885E+01
 -2.3270E+01  6.7109E+00 -7.7368E+00
 -1.9470E+03  1.3571E+03  6.4494E+02
HC            2686    1.008000    0.040000
 -1.4304E+01  1.6679E+01  1.9024E+01
  7.3984E+00 -1.1129E+01 -7.8511E+00
 -5.9495E+02  5.3520E+02  1.6078E+03
HC            2687    1.008000    0.040000
 -1.5459E+01  1.6067E+01  1.7967E+01
  9.0454E+00 -5.2494E+00 -2.6601E+00
  3.5652E+02 -8.5582E+02 -6.0296E+02
HC            2688    1.008000    0.040000
 -1.4652E+01  1.4963E+01  1.9065E+01
 -1.5038E+00 -3.0950E+00  1.2542E+01
 -2.0266E+03 -1.9359E+02  1.8719E+03
CT            2689   12.011000    0.145000
  7.5917E+00  3.2881E+00  1.9439E+01
  5.8316E+00  4.6413E+00 -9.5177E-01
  3.5199E+03  1.0222E+03  1.7589E+03
OH            2690    0.000000   -0.683000
  8.3396E+00  2.2244E+00  1.8894E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2691    1.008000    0.418000
  8.8328E+00  2.5579E+00  1.8160E+01
 -1.7653E+01  9.1323E+00 -8.3452E+00
 -1.5354E+03  1.1679E+03 -6.1155E+01
HC            2692    1.008000    0.040000
  7.8914E+00  3.3010E+00 -2.0413E+01
  1.4616E+01 -1.4003E+01 -2.8251E+00
 -1.4396E+03 -2.1555E+02  1.9255E+02
HC            2693    1.008000    0.040000
  6.5053E+00  3.2140E+00  1.9390E+01
  6.1162E+00 -3.1093E+01  1.5458E+01
  1.6946E+03 -4.2308E+03 -1.7155E+03
HC            2694    1.008000    0.040000
  7.7408E+00  4.3226E+00  1.9129E+01
 -2.3661E+01  9.0048E+00 -3.4691E+00
  3.1851E+03 -2.0483E+03 -1.4089E+03
CT            2695   12.011000    0.145000
  1.8868E+01  1.9869E+01 -1.7909E+01
  2.6557E-01  2.0946E+00  9.6507E-01
 -4.0435E+02  1.5212E+03  8.4071E+02
OH            2696    0.000000   -0.683000
  1.9072E+01  1.9261E+01 -1.6653E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2697    1.008000    0.418000
  1.8215E+01  1.8887E+01 -1.6523E+01
 -7.7665E+00  1.9882E+01  1.0209E+01
  4.2463E+02  8.8032E+02  1.9618E+03
HC            2698    1.008000    0.040000
  1.8310E+01 -2.0098E+01 -1.7840E+01
  1.8060E+01  1.3475E+01 -2.5778E+00
  1.0153E+03  2.7702E+02  8.1011E+02
HC            2699    1.008000    0.040000
  1.8309E+01  1.9302E+01 -1.8654E+01
  2.4669E+00  1.5640E+01 -1.1455E+01
  7.4146E+02 -1.9139E+03  1.7792E+03
HC            2700    1.008000    0.040000
  1.9799E+01  2.0085E+01 -1.8433E+01
  1.0558E+00  1.0115E+01  5.5231E+00
 -1.5151E+02  2.2984E+03  7.8610E+02
CT            2701   12.011000    0.145000
 -3.4879E+00  1.1988E+00  1.0434E+01
 -1.1844E+00 -1.5494E+00 -3.7658E+00
  2.9156E+03  2.1957E+03  7.8494E+03
OH            2702    0.000000   -0.683000
 -2.1906E+00  1.4338E+00  9.9337E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2703    1.008000    0.418000
 -1.5080E+00  1.6676E+00  1.0544E+01
  7.0672E+00 -6.1489E+00 -5.3574E+00
 -3.3148E+03  2.0228E+02  3.0997E+03
HC            2704    1.008000    0.040000
 -3.7261E+00  2.0777E+00  1.1033E+01
  1.8636E+01  1.0985E-01  2.4057E+00
 -1.3940E+00 -2.0356E+02  3.4950E+02
HC            2705    1.008000    0.040000
 -3.3955E+00  3.6374E-01  1.1128E+01
  6.3510E+00 -4.5174E+00 -8.2138E+00
 -2.7136E+02  8.2232E+01  4.6420E+02
HC            2706    1.008000    0.040000
 -4.4004E+00  1.0292E+00  9.8622E+00
 -1.5077E+01  1.9306E+01  1.0761E+01
  3.5497E+03  2.0171E+02 -2.4394E+03
CT            2707   12.011000    0.145000
  3.3330E+00  1.1178E+00 -6.8011E+00
  1.0467E+00  5.6095E+00 -1.9872E+00
 -2.6304E+03  4.0847E+03  4.0736E+03
OH            2708    0.000000   -0.683000
  4.4978E+00  1.1747E+00 -6.0086E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2709    1.008000    0.418000
  5.1968E+00  1.1541E+00 -6.6442E+00
  9.9253E+00 -6.2586E+00  1.0719E+01
  2.3253E+03  7.6016E+02  2.6781E+03
HC            2710    1.008000    0.040000
  2.3910E+00  8.9282E-01 -6.3010E+00
 -1.2856E+01  3.9254E+01 -1.0252E+01
  2.3923E+03 -2.9657E+03 -2.4707E+02
HC            2711    1.008000    0.040000
  3.5394E+00  5.2036E-01 -7.6891E+00
 -8.6858E+00  2.6348E+00 -2.3650E+00
 -2.2075E+03  6.2273E+02 -2.6510E+02
HC            2712    1.008000    0.040000
  3.0330E+00  2.1538E+00 -6.9586E+00
  8.4408E+00  1.0870E+01  1.5957E+01
  1.9726E+03 -2.6168E+02 -3.5335E+03
CT            2713   12.011000    0.145000
 -1.3494E+01  2.0984E+00  8.5205E+00
 -2.1041E+00 -2.8829E+00 -4.8725E-02
 -1.5635E+03 -2.1646E+03 -2.6540E+02
OH            2714    0.000000   -0.683000
 -1.4509E+01  2.8543E+00  7.8991E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2715    1.008000    0.418000
 -1.4625E+01  3.5947E+00  8.4750E+00
  1.1469E+00 -6.8402E+00  9.2573E+00
 -6.1349E+02  1.4358E+03 -2.4646E+03
HC            2716    1.008000    0.040000
 -1.3773E+01  1.4525E+00  9.3528E+00
  1.0089E+01 -3.9647E+00  3.4011E+00
 -3.3262E+03  1.3676E+03 -3.1931E+02
HC            2717    1.008000    0.040000
 -1.2660E+01  2.6303E+00  8.9786E+00
  1.4881E+01 -1.7307E+01 -1.2784E+01
  6.8372E+02  5.5175E+02 -3.4529E+03
HC            2718    1.008000    0.040000
 -1.2993E+01  1.3795E+00  7.8720E+00
  1.2653E+01  6.9342E+00 -2.0245E-02
 -4.8755E+02  8.2000E+02 -9.4167E+02
CT            2719   12.011000    0.145000
  1.8785E+01 -1.4848E+01  1.5626E+01
 -7.7748E-02 -1.8516E+00 -1.1483E+00
  1.0008E+03 -1.9424E+03 -7.2077E+02
OH            2720    0.000000   -0.683000
  1.9325E+01 -1.4176E+01  1.4510E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2721    1.008000    0.418000
  1.8663E+01 -1.4276E+01  1.3844E+01
 -1.0062E+00 -1.4473E+01  2.8456E+00
  1.9609E+02 -2.9554E+03  3.4486E+02
HC            2722    1.008000    0.040000
  1.7873E+01 -1.4283E+01  1.5823E+01
  4.1197E+00  6.7327E+00 -5.7847E+00
  1.4041E+01 -1.5989E+03  2.5648E+03
HC            2723    1.008000    0.040000
  1.9489E+01 -1.4868E+01  1.6458E+01
  6.5457E+00  2.7986E+01 -4.8972E+00
 -9.1214E+02  2.4966E+03  2.7211E+01
HC            2724    1.008000    0.040000
  1.8509E+01 -1.5880E+01  1.5411E+01
 -3.5621E+01  4.4634E+00  7.7041E+00
 -1.0229E+03  1.3108E+03 -1.0638E+02
CT            2725   12.011000    0.145000
  7.7689E+00 -1.3090E+01  1.7265E+01
  6.0692E+00  7.4946E+00 -1.3129E+00
 -2.5181E+03 -1.8351E+03  1.3436E+03
OH            2726    0.000000   -0.683000
  6.6803E+00 -1.2201E+01  1.7378E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2727    1.008000    0.418000
  6.7123E+00 -1.1694E+01  1.6582E+01
 -4.5446E+00 -2.8180E-01 -3.8846E-01
 -8.1285E+02 -2.0898E+03 -1.3440E+03
HC            2728    1.008000    0.040000
  7.8935E+00 -1.3405E+01  1.8301E+01
 -2.0170E+01  5.9173E-02  3.0569E-01
  2.8450E+03 -5.4422E+02 -1.4296E+03
HC            2729    1.008000    0.040000
  8.5732E+00 -1.2622E+01  1.6697E+01
 -1.9233E+01  2.0381E+01 -2.9343E+01
 -9.2162E+02 -4.6788E+02  1.9534E+03
HC            2730    1.008000    0.040000
  7.5092E+00 -1.4016E+01  1.6751E+01
  9.7656E+00 -9.1755E+00  2.4957E+01
 -2.9022E+02  9.2624E+02  2.5103E+02
CT            2731   12.011000    0.145000
 -1.7084E+01  8.7985E+00 -1.8194E+01
 -2.5697E+00  8.7924E-01 -7.7480E-01
  1.0833E+03 -3.2580E+03  3.2535E+03
OH            2732    0.000000   -0.683000
 -1.7050E+01  9.7797E+00 -1.7182E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2733    1.008000    0.418000
 -1.7849E+01  1.0271E+01 -1.7294E+01
 -9.0038E-01 -1.6494E+00 -8.5094E-01
 -6.8458E+02 -1.0226E+03  3.9874E+02
HC            2734    1.008000    0.040000
 -1.7297E+01  9.0945E+00 -1.9222E+01
 -1.3266E+01 -2.8350E+01 -7.9724E+00
  2.7082E+03  5.3340E+02  1.2076E+03
HC            2735    1.008000    0.040000
 -1.7848E+01  8.0505E+00 -1.7982E+01
 -1.8195E+00  3.0679E+00  1.0224E+01
 -6.3222E+02  9.2689E+02  1.5743E+03
HC            2736    1.008000    0.040000
 -1.6149E+01  8.2818E+00 -1.7978E+01
  6.3675E+00  2.4186E+01  2.1403E+01
  1.1789E+02  8.0491E+02 -3.8488E+03
CT            2737   12.011000    0.145000
 -1.8097E+01  4.5013E+00  8.7350E+00
 -1.3412E+00 -6.8526E+00 -3.3692E+00
 -1.4526E+02  2.8396E+03  1.2785E+03
OH            2738    0.000000   -0.683000
 -1.9340E+01  4.4275E+00  9.3977E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2739    1.008000    0.418000
 -1.9278E+01  5.0284E+00  1.0124E+01
  2.6832E+00 -1.9436E+01  1.6763E+01
 -1.8442E+03  6.9795E+02 -1.6126E+03
HC            2740    1.008000    0.040000
 -1.7446E+01  3.6404E+00  8.5833E+00
  7.6879E+00 -3.0596E+00  1.1724E+01
 -3.2861E+03 -2.1733E+03  2.3164E+03
HC            2741    1.008000    0.040000
 -1.7401E+01  5.0984E+00  9.3238E+00
  9.6843E+00 -2.1355E+01 -1.1301E+00
 -9.5399E+02  9.3777E+02 -2.1423E+02
HC            2742    1.008000    0.040000
 -1.8208E+01  4.9026E+00  7.7275E+00
 -3.3119E+01 -6.9378E+00 -9.2359E-01
 -1.8589E+03  1.4925E+03  1.5930E+03
CT            2743   12.011000    0.145000
  1.1698E+01 -1.7916E+01 -1.3379E+01
 -9.9508E+00 -7.0709E+00  7.2947E+00
  2.8695E+02  3.0237E+03  2.4156E+03
OH            2744    0.000000   -0.683000
  1.2600E+01 -1.8048E+01 -1.2304E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2745    1.008000    0.418000
  1.2300E+01 -1.7482E+01 -1.1609E+01
 -2.1278E+00  2.6581E+01 -2.0894E+01
  9.4222E+01 -1.9673E+03 -3.0012E+02
HC            2746    1.008000    0.040000
  1.1479E+01 -1.6851E+01 -1.3310E+01
  2.5368E+01  2.9111E+00 -1.0575E+01
  5.6583E+02 -7.2798E+02 -3.3966E+03
HC            2747    1.008000    0.040000
  1.0754E+01 -1.8461E+01 -1.3415E+01
 -1.0953E+01 -4.7945E+00 -1.5049E+01
  1.3206E+03 -8.3001E+02  1.9903E+03
HC            2748    1.008000    0.040000
  1.2247E+01 -1.8117E+01 -1.4299E+01
  1.5247E+01  1.2588E+01  1.6854E+01
 -4.1936E+02  1.5619E+03  7.8929E+02
CT            2749   12.011000    0.145000
  2.6091E+00  7.2857E+00 -5.1510E+00
 -2.4474E+00 -1.1937E+00 -2.0576E-01
  5.1790E+03  6.2092E+02  4.1933E+02
OH            2750    0.000000   -0.683000
  2.7580E+00  7.2280E+00 -6.5520E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2751    1.008000    0.418000
  2.5854E+00  8.0896E+00 -6.8996E+00
 -1.5068E+01 -9.8808E+00 -1.8979E+01
 -1.1876E+03 -6.4733E+02  9.0468E+02
HC            2752    1.008000    0.040000
  2.6459E+00  6.2272E+00 -4.8934E+00
 -1.2851E+01 -6.4756E+00 -1.8581E+01
 -4.2455E+03  1.1088E+03  2.8277E+03
HC            2753    1.008000    0.040000
  1.7403E+00  7.8844E+00 -4.8774E+00
 -2.0435E+01 -3.3562E+01  2.0011E+01
 -3.3516E+02 -3.9112E+03  2.2975E+03
HC            2754    1.008000    0.040000
  3.5392E+00  7.6903E+00 -4.7519E+00
  2.2384E+00  6.6205E+00 -1.8043E+01
 -7.1208E+02  2.0310E+03 -1.9559E+02
CT            2755   12.011000    0.145000
  1.8164E+00 -1.1342E+01 -5.0813E+00
 -1.0933E+00 -9.6926E-01  4.2878E+00
 -5.8282E+02  3.5749E+03 -5.8315E+03
OH            2756    0.000000   -0.683000
  2.7236E+00 -1.0360E+01 -4.6328E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2757    1.008000    0.418000
  2.1383E+00 -9.7078E+00 -4.2786E+00
  3.6986E-01  6.0768E+00 -1.0173E+01
  1.2177E+02  1.1681E+03 -2.0625E+03
HC            2758    1.008000    0.040000
  2.2625E+00 -1.1858E+01 -5.9309E+00
  2.3110E+01 -1.1974E+00  1.6277E+01
  9.7453E+02 -2.9742E+03  2.6584E+03
HC            2759    1.008000    0.040000
  1.0518E+00 -1.0755E+01 -5.5904E+00
  3.5187E-01  1.0349E+01  1.4695E+01
 -1.4817E+03 -4.6511E+02  1.2188E+03
HC            2760    1.008000    0.040000
  1.3190E+00 -1.1963E+01 -4.3367E+00
 -5.0093E+00 -1.7510E+01 -1.1415E+01
  1.1656E+03 -5.9797E+02 -1.0575E+03
CT            2761   12.011000    0.145000
 -2.0392E+01  2.0235E+01 -1.2878E+01
  3.9063E+00 -3.9461E+00  1.9524E+00
  1.9217E+03  1.7536E+03 -4.3851E+02
OH            2762    0.000000   -0.683000
 -2.0432E+01 -2.0064E+01 -1.1603E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2763    1.008000    0.418000
  1.9912E+01  2.0312E+01 -1.1047E+01
 -1.4337E+01  6.5587E+00 -7.6327E+00
 -4.7044E+02  8.4545E+02 -1.3897E+02
HC            2764    1.008000    0.040000
 -1.9654E+01 -2.0163E+01 -1.3504E+01
 -1.7802E+00 -1.0041E+01 -9.9869E+00
  7.3911E+02 -4.9870E+02  5.1026E+02
HC            2765    1.008000    0.040000
  1.9610E+01  2.0406E+01 -1.3472E+01
  3.4979E+00  7.0789E+00  5.5230E+00
 -1.1443E+03 -1.2987E+03  1.8315E+03
HC            2766    1.008000    0.040000
 -2.0120E+01  1.9180E+01 -1.2881E+01
 -7.4606E+00 -7.5468E+00 -2.3345E+01
 -1.0426E+03  5.4127E+02 -2.8428E+01
CT            2767   12.011000    0.145000
 -3.4218E+00 -2.1110E+00 -8.0039E+00
  4.8131E+00 -1.2529E-01 -8.8960E+00
 -2.1133E+03 -6.5967E+02  1.3509E+03
OH            2768    0.000000   -0.683000
 -3.6868E+00 -3.4913E+00 -8.1163E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2769    1.008000    0.418000
 -3.7299E+00 -3.7275E+00 -7.2024E+00
  6.1703E+00  3.8656E+01  1.2122E+01
 -2.5329E+02  4.4826E+02 -1.7811E+03
HC            2770    1.008000    0.040000
 -4.0542E+00 -1.6182E+00 -7.2654E+00
 -1.3406E+01  4.2612E+00 -2.6528E+01
 -1.1413E+03 -2.2873E+03 -8.1495E+01
HC            2771    1.008000    0.040000
 -3.7841E+00 -1.5771E+00 -8.8825E+00
 -2.4060E+01 -1.6631E+01 -8.2778E+00
  2.4560E+03 -1.3184E+03 -1.9903E+02
HC            2772    1.008000    0.040000
 -2.4366E+00 -1.8943E+00 -7.5908E+00
 -2.4019E+00 -1.8667E+01  2.1184E+01
 -3.0149E+02 -1.5186E+03 -2.5435E+03
CT            2773   12.011000    0.145000
  5.3939E+00  5.7227E+00  1.7140E+00
  3.2129E+00 -1.8534E+00  1.9016E+00
 -9.3397E+02  4.5400E+02  3.4803E+03
OH            2774    0.000000   -0.683000
  4.6753E+00  4.5098E+00  1.7368E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2775    1.008000    0.418000
  4.0016E+00  4.5596E+00  2.3975E+00
  1.2831E+01  3.6605E+00  1.3348E+01
  8.7272E+02  2.0943E+03  3.1220E+02
HC            2776    1.008000    0.040000
  5.2800E+00  6.1237E+00  2.7211E+00
 -3.2236E+01  3.3148E+00 -2.8707E+00
 -2.9029E+02  1.4658E+03 -1.5245E+03
HC            2777    1.008000    0.040000
  4.9096E+00  6.3558E+00  9.7056E-01
  2.8270E+00 -4.2652E+00  8.6572E-02
  1.0232E+03  1.4210E+03  7.9895E+02
HC            2778    1.008000    0.040000
  6.4579E+00  5.5638E+00  1.5381E+00
  6.8358E+00 -1.5254E+00  2.1307E+01
 -2.6769E+02  1.3467E+03  2.4504E+02
CT            2779   12.011000    0.145000
 -3.2891E+00 -1.3355E+01 -9.3415E+00
  1.5890E+00 -9.5257E+00  1.2958E-01
  1.1091E+03 -2.0503E+03 -2.3731E+03
OH            2780    0.000000   -0.683000
 -4.4305E+00 -1.3547E+01 -1.0147E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2781    1.008000    0.418000
 -4.2405E+00 -1.3598E+01 -1.1071E+01
  8.2199E-01  1.8187E+01 -1.1934E+00
  2.7412E+03  5.2739E+02  8.6896E+02
HC            2782    1.008000    0.040000
 -3.4596E+00 -1.3270E+01 -8.2683E+00
  1.9052E+01 -1.0523E+00  2.5882E+00
 -1.3851E+03  1.2140E+03 -9.7171E+02
HC            2783    1.008000    0.040000
 -2.7562E+00 -1.2478E+01 -9.7080E+00
  9.6670E-01 -1.4004E+01 -1.1953E+01
 -1.2621E+02  1.1637E+02  7.7764E+02
HC            2784    1.008000    0.040000
 -2.5748E+00 -1.4173E+01 -9.4323E+00
  8.7324E+00 -1.5955E+00 -2.1617E+01
 -5.5858E+02  8.4585E+00 -1.4551E+03
CT            2785   12.011000    0.145000
  1.9947E+01  1.2882E+01  1.1152E+01
 -5.7912E+00 -1.7865E+00 -2.0221E+00
 -2.8509E+02 -8.9376E+02  1.2094E+03
OH            2786    0.000000   -0.683000
  1.9358E+01  1.3771E+01  1.2074E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2787    1.008000    0.418000
  2.0006E+01  1.4263E+01  1.2554E+01
  1.4585E+01  1.6282E+00 -2.0049E+01
  1.4474E+03 -2.1533E+03 -7.9439E+02
HC            2788    1.008000    0.040000
 -2.0423E+01  1.2087E+01  1.1676E+01
  1.4226E+01  1.2461E+01  5.0687E-01
  2.1884E+02  7.1218E+02 -5.0214E+00
HC            2789    1.008000    0.040000
 -2.0209E+01  1.3288E+01  1.0467E+01
  9.2802E+00 -1.4225E+01  6.3044E+00
 -4.3504E+02  1.1708E+03  1.1418E+03
HC            2790    1.008000    0.040000
  1.9140E+01  1.2455E+01  1.0557E+01
 -1.9001E+01  1.5636E+01  2.5519E+00
  5.4572E+02 -2.8023E+00  1.6353E+02
CT            2791   12.011000    0.145000
  1.4921E+01  1.3121E+01  3.7999E+00
  4.4025E+00 -1.3057E+00  1.2412E+00
 -6.9094E+03  4.6641E+03  9.5483E+02
OH            2792    0.000000   -0.683000
  1.5448E+01  1.4156E+01  3.0011E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2793    1.008000    0.418000
  1.5793E+01  1.3755E+01  2.2181E+00
  2.3181E+01  2.9134E+00  7.9360E+00
  2.0641E+03  1.0300E+03  8.8469E+02
HC            2794    1.008000    0.040000
  1.4304E+01  1.3726E+01  4.4649E+00
 -6.5290E+00 -2.3901E+01  1.2795E+01
 -2.2627E+02 -1.0790E+03  8.0623E+02
HC            2795    1.008000    0.040000
  1.5423E+01  1.2517E+01  4.5555E+00
  7.7476E+00 -3.8954E+00 -3.0046E+00
  4.0759E+03  8.7927E+02 -2.6121E+03
HC            2796    1.008000    0.040000
  1.4172E+01  1.2540E+01  3.2605E+00
  1.2975E+01  5.2163E-01 -1.3145E+01
  1.1015E+03 -7.6158E+02 -6.3096E+02
CT            2797   12.011000    0.145000
  1.4299E+01  9.2858E-01  1.9149E+01
 -6.5434E+00  6.0768E+00  4.1337E+00
 -3.5037E+03 -1.4602E+03 -2.6672E+03
OH            2798    0.000000   -0.683000
  1.3817E+01 -1.3952E-01  1.9934E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2799    1.008000    0.418000
  1.3175E+01  8.4673E-02 -2.0310E+01
 -9.1427E+00 -2.2441E+01 -3.8427E-01
 -1.3706E+03  9.9485E+02 -2.6677E+03
HC            2800    1.008000    0.040000
  1.4641E+01  1.8363E+00  1.9647E+01
 -1.7227E+01  1.7958E+01 -9.3304E+00
  1.1162E+03 -2.2393E+03  1.2661E+03
HC            2801    1.008000    0.040000
  1.3598E+01  1.3111E+00  1.8408E+01
 -1.3939E+01 -1.0288E+01  2.2463E+00
 -3.2145E+03 -6.4748E+02  2.6198E+03
HC            2802    1.008000    0.040000
  1.4981E+01  5.1428E-01  1.8407E+01
 -1.1063E+01 -1.2385E+01  9.7552E+00
  2.4059E+03 -2.0241E+02  2.8456E+03
CT            2803   12.011000    0.145000
  1.5572E+01 -1.4761E+01 -1.5115E+01
 -1.8340E+00  3.2927E+00  5.2353E-01
  1.1809E+03 -1.4098E+02  3.6899E+03
OH            2804    0.000000   -0.683000
  1.4418E+01 -1.5470E+01 -1.4724E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2805    1.008000    0.418000
  1.4750E+01 -1.6268E+01 -1.4343E+01
 -1.1676E+01 -1.5131E+01 -1.9560E+01
 -2.2921E+03  2.2644E+02  5.9183E+02
HC            2806    1.008000    0.040000
  1.5380E+01 -1.3735E+01 -1.5430E+01
 -8.0249E-01  7.1025E-01 -8.8016E+00
 -6.0935E+02 -9.7400E+02 -2.3714E+03
HC            2807    1.008000    0.040000
  1.6055E+01 -1.5387E+01 -1.5864E+01
 -9.0934E+00  2.5545E+00 -3.6356E+00
  1.2426E+03  2.0351E+03 -5.2005E+02
HC            2808    1.008000    0.040000
  1.6323E+01 -1.4676E+01 -1.4330E+01
  1.7251E+01 -1.2812E+01 -1.4926E+01
 -8.1245E+02 -1.2420E+03  2.2090E+02
CT            2809   12.011000    0.145000
 -1.0743E+01 -1.6932E+01  1.8626E+01
  2.8312E+00  2.5971E+00  3.7934E+00
 -3.5305E+03 -3.8842E+03 -5.3435E+03
OH            2810    0.000000   -0.683000
 -1.0305E+01 -1.8170E+01  1.9139E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2811    1.008000    0.418000
 -1.0768E+01 -1.8729E+01  1.8534E+01
  4.3469E+00  9.6510E+00 -1.2683E+01
  1.5471E+03 -2.8006E+03  2.2246E+03
HC            2812    1.008000    0.040000
 -1.0476E+01 -1.5935E+01  1.8977E+01
  9.2445E+00  5.7570E+00 -9.4157E+00
 -6.6905E+02 -2.2310E+03  3.7492E+03
HC            2813    1.008000    0.040000
 -1.1782E+01 -1.7260E+01  1.8670E+01
  7.9634E+00 -1.3056E+01  2.1406E+01
 -1.2523E+03  5.8893E+03  7.1216E+02
HC            2814    1.008000    0.040000
 -1.0572E+01 -1.6869E+01  1.7551E+01
 -1.9395E+01 -8.9799E+00 -1.0246E+00
  8.6930E+02 -1.3381E+03  3.6073E+02
CT            2815   12.011000    0.145000
  4.4856E+00  3.9945E-01  1.3477E+01
 -5.5408E+00 -1.8527E+00  9.3711E-01
 -1.3024E+03  1.4209E+03  5.0113E+03
OH            2816    0.000000   -0.683000
  4.0017E+00  1.6602E+00  1.3071E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2817    1.008000    0.418000
  4.7124E+00  2.0627E+00  1.2596E+01
 -1.3096E+00 -1.9435E+01 -2.0065E+01
 -3.2108E+02 -9.5271E+02  2.6077E+02
HC            2818    1.008000    0.040000
  5.1931E+00  7.3571E-01  1.4235E+01
 -7.8471E+00 -1.6786E+01  1.0128E+01
  1.9263E+03 -3.6266E+03 -3.3647E+01
HC            2819    1.008000    0.040000
  4.9333E+00 -3.0270E-01  1.2773E+01
  6.9243E+00  2.5212E+01 -2.0036E+01
  7.6125E+02  4.0078E+03 -1.8795E+03
HC            2820    1.008000    0.040000
  3.7340E+00 -1.7688E-01  1.4016E+01
 -4.5458E+00 -5.5313E+00 -1.5680E+00
 -7.5338E+02  1.0687E+03  4.6243E+02
CT            2821   12.011000    0.145000
  1.5702E+01  1.8089E+01 -4.5711E+00
  1.3574E+00 -4.7738E+00  3.6232E-01
 -8.1981E+02  3.4186E+02 -1.1688E+02
OH            2822    0.000000   -0.683000
  1.5116E+01  1.8025E+01 -3.2903E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2823    1.008000    0.418000
  1.5009E+01  1.7117E+01 -3.0522E+00
  1.8336E+01 -8.2244E-01  6.7267E+00
  3.5452E+02 -1.8477E+02 -2.3672E+03
HC            2824    1.008000    0.040000
  1.5109E+01  1.8046E+01 -5.4844E+00
 -1.3229E+01  3.1155E+01  6.4560E+00
 -3.8425E+03 -1.1832E+03  4.1100E+03
HC            2825    1.008000    0.040000
  1.6454E+01  1.7312E+01 -4.7069E+00
  6.4021E-01 -8.7166E+00  1.6842E+01
  1.4376E+03  1.3161E+03  2.2912E+03
HC            2826    1.008000    0.040000
  1.6037E+01  1.9116E+01 -4.7208E+00
 -1.8287E+01  3.1335E+00  7.3863E+00
  1.8654E+03 -1.0268E+03  1.4761E+03
CT            2827   12.011000    0.145000
  8.7683E+00  1.8210E+01  1.0935E+00
  4.7573E-02 -4.2733E+00  5.6380E-01
  4.1475E+02 -1.8075E+03  1.0877E+03
OH            2828    0.000000   -0.683000
  1.0121E+01  1.8177E+01  6.9861E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2829    1.008000    0.418000
  1.0329E+01  1.9093E+01  5.9298E-01
  1.1013E+00 -7.0100E-01 -4.0859E+00
 -1.1266E+02 -1.5201E+02 -1.5576E+03
HC            2830    1.008000    0.040000
  8.5051E+00  1.7163E+01  1.2410E+00
  1.8690E+01 -1.2823E+01 -2.0911E+01
 -1.2939E+03  8.6720E+02 -1.2563E+03
HC            2831    1.008000    0.040000
  8.1657E+00  1.8781E+01  3.8746E-01
  2.5056E+01  1.7010E+01 -5.1282E+00
  7.7316E+02 -2.0904E+03 -3.9578E+02
HC            2832    1.008000    0.040000
  8.6986E+00  1.8743E+01  2.0419E+00
  2.2008E+01 -1.6355E+00  1.2117E+00
  2.5439E+03  2.1377E+02 -2.2807E+02
CT            2833   12.011000    0.145000
 -7.8792E+00 -1.6016E+01 -1.6512E+01
 -4.1271E+00 -3.0372E+00 -5.6756E-01
 -2.6067E+03  2.1425E+03 -2.5573E+02
OH            2834    0.000000   -0.683000
 -8.0963E+00 -1.5972E+01 -1.5120E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2835    1.008000    0.418000
 -8.3964E+00 -1.5132E+01 -1.4810E+01
  1.2477E+01 -3.4429E+00  2.3765E+01
 -2.1204E+03 -6.7199E+02 -4.4401E+03
HC            2836    1.008000    0.040000
 -7.2521E+00 -1.6859E+01 -1.6802E+01
 -3.6511E+00 -1.1838E+00 -5.0071E+00
  6.2476E+00  5.7243E+02 -6.4062E+02
HC            2837    1.008000    0.040000
 -7.4195E+00 -1.5051E+01 -1.6727E+01
 -6.0155E+00  2.4429E+00  1.8203E+01
  1.4406E+03 -1.4100E+03 -1.1305E+03
HC            2838    1.008000    0.040000
 -8.7491E+00 -1.6095E+01 -1.7164E+01
  2.0937E+01 -2.4464E+00 -3.7093E+01
  9.2872E+02  4.7067E+02  1.6582E+03
CT            2839   12.011000    0.145000
  1.9707E+01 -8.4332E+00 -1.6465E+01
  1.3263E+00  3.8704E-01  1.5415E+00
 -3.4080E+03 -2.9930E+03  4.4705E+03
OH            2840    0.000000   -0.683000
  2.0381E+01 -9.6389E+00 -1.6745E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2841    1.008000    0.418000
  2.0416E+01 -9.5616E+00 -1.7686E+01
 -1.5178E+00 -9.8854E-01 -1.4147E-01
  2.5660E+03 -3.6361E+03 -1.5679E+02
HC            2842    1.008000    0.040000
  2.0290E+01 -7.5817E+00 -1.6814E+01
  2.6176E+01 -1.1155E+01  1.2450E+01
  7.8604E+02 -1.4354E+03  1.2388E+03
HC            2843    1.008000    0.040000
  1.9484E+01 -8.4043E+00 -1.5398E+01
 -2.0051E+01  2.7057E+01 -2.5213E+00
  2.4144E+03  3.0297E+03 -1.8486E+02
HC            2844    1.008000    0.040000
  1.8658E+01 -8.4531E+00 -1.6760E+01
 -4.9882E+00 -2.6078E+01  2.1832E+01
  1.8759E+03 -2.2474E+02 -2.3472E+03
CT            2845   12.011000    0.145000
 -9.3085E+00 -1.5137E+01  1.5041E+01
 -3.3385E+00 -2.5476E+00 -2.4077E+00
  1.3368E+03  3.2171E+03  3.8891E+03
OH            2846    0.000000   -0.683000
 -9.6464E+00 -1.3986E+01  1.4301E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2847    1.008000    0.418000
 -9.0740E+00 -1.4108E+01  1.3559E+01
  5.3793E+00 -1.3606E+01  6.0625E+00
  9.3858E+02  1.7442E+03  8.6165E+02
HC            2848    1.008000    0.040000
 -8.9255E+00 -1.5983E+01  1.4471E+01
  1.4977E+00  4.1141E+00 -9.2334E+00
 -1.2056E+03  7.9009E+02 -1.1624E+03
HC            2849    1.008000    0.040000
 -1.0080E+01 -1.5459E+01  1.5740E+01
  3.2354E+00 -9.9275E+00  1.6160E+00
 -6.7858E+02  5.8976E+01 -8.6264E+02
HC            2850    1.008000    0.040000
 -8.5183E+00 -1.4749E+01  1.5684E+01
 -1.5871E+01  1.8215E+01  1.3968E+00
  4.2159E+02 -1.4021E+03 -2.5299E+02
CT            2851   12.011000    0.145000
 -2.5572E+00  3.5863E+00 -1.3868E+01
 -5.2232E-01 -4.0669E+00  8.9228E-01
  9.6836E+02  1.6973E+03 -1.7584E+03
OH            2852    0.000000   -0.683000
 -1.2523E+00  3.5398E+00 -1.3336E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2853    1.008000    0.418000
 -1.3066E+00  4.1579E+00 -1.2623E+01
  1.6815E+01 -3.0532E+00  4.3635E+00
  1.8296E+03 -2.0743E+03  1.7187E+03
HC            2854    1.008000    0.040000
 -2.6293E+00  3.4887E+00 -1.4951E+01
 -1.9856E+00 -1.8699E-01  6.2420E-01
  1.7419E+03 -3.8418E+03  2.1770E+02
HC            2855    1.008000    0.040000
 -2.9724E+00  4.5938E+00 -1.3847E+01
  1.3267E+01  1.7291E+00  9.5962E+00
  1.2945E+03  4.3541E+02  2.9863E+03
HC            2856    1.008000    0.040000
 -3.2659E+00  2.9508E+00 -1.3337E+01
 -6.7642E+00  8.3568E+00  7.8867E+00
  1.8061E+02  1.4430E+02 -4.9592E+02
CT            2857   12.011000    0.145000
  6.6144E+00 -1.0194E+01  1.6201E+00
 -1.1782E+00 -6.3930E+00  1.0355E+01
  2.2153E+03  1.3078E+03 -3.4529E+02
OH            2858    0.000000   -0.683000
  6.8746E+00 -9.0220E+00  2.3590E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2859    1.008000    0.418000
  6.6025E+00 -8.3055E+00  1.8062E+00
  3.8572E+00  3.2770E+00  2.2918E+00
  1.1667E+03 -9.4100E+02 -1.7008E+03
HC            2860    1.008000    0.040000
  7.1550E+00 -9.8862E+00  7.2509E-01
  1.5583E+01 -3.4380E+01  9.6556E+00
 -2.2281E+02 -4.9985E+03 -1.3854E+03
HC            2861    1.008000    0.040000
  5.6187E+00 -1.0507E+01  1.3054E+00
  1.5452E+00  1.0100E+01 -1.8107E+01
 -5.1981E+02  4.4891E+03  9.2699E+02
HC            2862    1.008000    0.040000
  7.0062E+00 -1.1136E+01  2.0042E+00
 -1.1571E+01 -1.3882E+01  3.1561E+00
  2.5957E+03  1.5187E+03 -1.1410E+01
CT            2863   12.011000    0.145000
 -2.6679E+00 -6.1506E+00 -1.1691E+01
 -6.0822E-01 -4.1929E+00  1.4014E-02
 -1.4888E+03 -1.3737E+03  1.3842E+03
OH            2864    0.000000   -0.683000
 -1.7158E+00 -6.2810E+00 -1.0660E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2865    1.008000    0.418000
 -2.0509E+00 -5.5672E+00 -1.0139E+01
 -7.9533E+00  2.2776E+01 -3.3104E+01
  2.7892E+03 -2.6958E+03  1.2252E+03
HC            2866    1.008000    0.040000
 -3.5572E+00 -6.3617E+00 -1.1097E+01
 -7.2936E+00  7.9083E+00 -5.3249E+00
 -2.2555E+03  8.0291E+01 -3.1986E+03
HC            2867    1.008000    0.040000
 -2.5260E+00 -6.8447E+00 -1.2520E+01
  1.4937E+00 -1.1069E+00 -2.2351E+00
 -2.6517E+02 -3.3715E+02  3.0828E+02
HC            2868    1.008000    0.040000
 -2.7181E+00 -5.1422E+00 -1.2102E+01
  5.6573E+00 -1.1061E+01 -1.8663E+01
 -9.7069E+01 -5.2890E+02  1.4158E+02
CT            2869   12.011000    0.145000
  1.7551E+01 -6.9102E+00 -2.0050E+01
 -2.5916E+00 -9.8937E-02  3.9226E+00
 -2.4494E+03  1.9016E+03 -1.6024E+03
OH            2870    0.000000   -0.683000
  1.6873E+01 -8.0487E+00  2.0368E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2871    1.008000    0.418000
  1.6142E+01 -7.6235E+00  1.9947E+01
 -1.0940E+00  3.2090E+01  2.9758E+01
  2.6776E+03 -2.3124E+03 -1.2474E+03
HC            2872    1.008000    0.040000
  1.7712E+01 -6.1596E+00  2.0077E+01
  7.3441E+00  3.1593E+00  8.9779E+00
 -5.7602E+02 -1.7788E+03 -1.8037E+03
HC            2873    1.008000    0.040000
  1.8571E+01 -7.0368E+00 -1.9686E+01
  4.7295E+00 -1.3670E+01 -1.9239E+01
 -1.9180E+03 -3.9416E+03  1.1316E+03
HC            2874    1.008000    0.040000
  1.6964E+01 -6.3138E+00 -1.9351E+01
  1.5896E+01  4.3772E+00  1.6390E+01
  3.8841E+02 -1.8471E+03  1.4367E+03
CT            2875   12.011000    0.145000
 -1.5489E+01 -3.6678E+00 -1.1280E+01
 -3.9571E+00 -2.3569E+00  1.0720E+00
 -6.4370E+02 -9.0449E+02 -1.9101E+02
OH            2876    0.000000   -0.683000
 -1.6045E+01 -3.2876E+00 -1.2519E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2877    1.008000    0.418000
 -1.5772E+01 -2.4089E+00 -1.2734E+01
 -1.7305E+01  4.3385E+00 -5.8546E+00
  1.0856E+03 -6.6920E+02  8.0638E+02
HC            2878    1.008000    0.040000
 -1.4400E+01 -3.6822E+00 -1.1332E+01
 -3.5127E+00  2.1843E+01 -9.9763E+00
 -6.5470E+02  5.9270E+02 -1.2301E+03
HC            2879    1.008000    0.040000
 -1.5820E+01 -4.6430E+00 -1.0923E+01
  1.4879E+01 -2.5839E+00  1.9923E+01
  5.6346E+01  4.7681E+02 -4.9039E+02
HC            2880    1.008000    0.040000
 -1.5705E+01 -3.0247E+00 -1.0427E+01
  3.2543E+00 -1.2756E+01  1.1038E+01
 -9.0380E+02  6.7127E+02 -1.2289E+03
CT            2881   12.011000    0.145000
 -1.4886E+01  1.4073E+01 -1.5374E+01
  3.0108E+00  3.1785E-01  6.0390E-01
 -3.7224E+03 -9.3800E+01 -1.3419E+03
OH            2882    0.000000   -0.683000
 -1.5112E+01  1.5403E+01 -1.4963E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2883    1.008000    0.418000
 -1.4581E+01  1.5428E+01 -1.4182E+01
 -3.0423E+00  1.4873E+01  1.8810E+00
 -1.9959E+03  2.9590E+03  1.1909E+03
HC            2884    1.008000    0.040000
 -1.5244E+01  1.4130E+01 -1.6402E+01
  7.8841E+00  8.7509E+00 -7.1577E-01
  9.0823E+01 -3.5939E+03 -2.2160E+02
HC            2885    1.008000    0.040000
 -1.5542E+01  1.3486E+01 -1.4731E+01
 -1.0454E+01 -5.7982E+00 -1.7837E+01
 -1.5038E+02 -1.3363E+03 -1.8170E+03
HC            2886    1.008000    0.040000
 -1.3871E+01  1.3679E+01 -1.5332E+01
  7.3662E+00  9.8612E+00 -1.0031E+01
  3.2400E+02  1.9172E+03 -5.5122E+02
CT            2887   12.011000    0.145000
 -2.5984E+00  1.4530E+01  2.4030E+00
 -4.3266E+00  5.4152E+00 -5.6237E+00
  7.3925E+02 -1.0719E+03  2.6308E+03
OH            2888    0.000000   -0.683000
 -3.8216E+00  1.4150E+01  2.9923E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2889    1.008000    0.418000
 -4.4456E+00  1.4856E+01  2.9236E+00
  1.9450E+01  1.6783E+01 -1.8893E+01
  1.5209E+03  6.3972E+01 -2.8915E+03
HC            2890    1.008000    0.040000
 -2.1266E+00  1.5383E+01  2.8905E+00
 -1.8980E+01  1.5706E+01 -8.7752E+00
 -1.8656E+03  7.3594E+02  2.4037E+02
HC            2891    1.008000    0.040000
 -2.4682E+00  1.4716E+01  1.3369E+00
  1.7550E+01  1.0808E+01 -2.4956E+00
 -3.2296E+03 -6.8111E+01  5.9772E+02
HC            2892    1.008000    0.040000
 -1.8999E+00  1.3715E+01  2.5921E+00
 -1.1443E+01 -6.9789E-01 -5.2217E+00
 -8.0025E+02 -8.7045E+02 -2.1751E+02
CT            2893   12.011000    0.145000
  1.9178E+01 -1.8083E+01  5.7986E+00
  9.2463E+00  8.3217E-01 -6.9751E+00
  5.2900E+03  1.4394E+02 -2.6481E+03
OH            2894    0.000000   -0.683000
  1.9883E+01 -1.8959E+01  6.6489E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2895    1.008000    0.418000
 -2.0119E+01 -1.9071E+01  6.3757E+00
 -1.5524E+00  1.2121E+01 -1.1057E+01
 -1.0476E+03  8.0160E+02 -3.3864E+03
HC            2896    1.008000    0.040000
  1.8147E+01 -1.7874E+01  6.0839E+00
  5.7609E+00  2.1785E+00 -1.9921E+01
  7.3873E+02 -9.9369E+01  1.9020E+02
HC            2897    1.008000    0.040000
  1.9107E+01 -1.8363E+01  4.7475E+00
  1.6875E+01 -3.4878E-01 -7.2276E+00
  6.0286E+02 -2.9348E+03  6.0985E+02
HC            2898    1.008000    0.040000
  1.9736E+01 -1.7152E+01  5.7036E+00
  1.8099E+01 -3.7696E+00 -1.3701E+00
 -3.1526E+02  5.5431E+02  2.0007E+03
CT            2899   12.011000    0.145000
  4.3604E+00 -3.0588E+00 -2.0395E+00
 -4.2161E+00 -2.1346E+00 -1.9844E+00
 -2.3323E+03  3.3340E+02 -4.9158E+03
OH            2900    0.000000   -0.683000
  3.6133E+00 -1.9255E+00 -1.6580E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2901    1.008000    0.418000
  3.2826E+00 -1.4744E+00 -2.4196E+00
 -5.6103E+00  2.8138E+00  4.0296E+00
  6.2339E+02  1.9950E+03  9.6684E+02
HC            2902    1.008000    0.040000
  4.3883E+00 -3.1177E+00 -3.1275E+00
  1.8468E+01 -9.7551E+00 -1.5179E+00
  2.5224E+03  2.6539E+03 -8.1782E+01
HC            2903    1.008000    0.040000
  3.9639E+00 -4.0710E+00 -1.9601E+00
 -4.1286E+00 -1.9614E+00  7.5737E-01
 -2.6437E+03  1.3800E+03  4.3951E+03
HC            2904    1.008000    0.040000
  5.3781E+00 -3.0910E+00 -1.6503E+00
 -5.6765E+00  4.4996E+00  2.5553E+00
 -3.0539E+02  1.4596E+03 -7.6337E+01
CT            2905   12.011000    0.145000
 -6.4824E+00  1.1133E+01 -1.4343E+01
 -7.1184E+00 -2.3750E-01 -2.0131E+00
 -5.2487E+03  4.0572E+02 -1.1579E+03
OH            2906    0.000000   -0.683000
 -6.3492E+00  1.2405E+01 -1.4937E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2907    1.008000    0.418000
 -5.6656E+00  1.2896E+01 -1.4507E+01
  4.1257E+00 -1.6912E+01  1.3896E+01
  3.5628E+02 -2.2265E+03  1.3140E+03
HC            2908    1.008000    0.040000
 -7.1598E+00  1.1206E+01 -1.3492E+01
  7.0986E+00  7.4547E+00  9.1023E+00
  2.4291E+03  6.6743E+02  1.9702E+03
HC            2909    1.008000    0.040000
 -5.5956E+00  1.0554E+01 -1.4086E+01
 -6.0183E+00  5.2750E+00  7.0692E+00
  9.7187E+02  2.5496E+03  5.1384E+02
HC            2910    1.008000    0.040000
 -7.0310E+00  1.0483E+01 -1.5025E+01
  8.6983E+00  1.2813E+01 -2.8864E+01
  1.0197E+03  1.2186E+03 -1.0825E+03
CT            2911   12.011000    0.145000
 -6.2043E+00  5.1698E+00 -1.8225E+01
 -8.1581E-01  4.5785E+00 -9.2729E-02
  1.0669E+03  3.4318E+03 -3.0435E+02
OH            2912    0.000000   -0.683000
 -6.2710E+00  5.1247E+00 -1.9633E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2913    1.008000    0.418000
 -6.4659E+00  4.2486E+00 -1.9929E+01
  1.6465E+01  1.3413E+00 -1.6677E+01
  1.9359E+03 -7.8865E+01  5.5973E+02
HC            2914    1.008000    0.040000
 -6.1099E+00  6.2056E+00 -1.7899E+01
 -3.4422E+00  9.5578E+00 -1.4415E+01
 -1.9865E+03  7.1522E+02 -1.2422E+03
HC            2915    1.008000    0.040000
 -5.3038E+00  4.6916E+00 -1.7840E+01
 -2.0201E+01 -3.3461E+01  2.7531E+00
 -3.1728E+03 -3.7090E+03 -5.4254E+01
HC            2916    1.008000    0.040000
 -7.1480E+00  4.7397E+00 -1.7890E+01
  1.0946E+01 -1.1288E+01  1.4446E+01
  2.3493E+03 -1.4158E+03  3.4647E+03
CT            2917   12.011000    0.145000
 -7.8948E+00 -1.0415E+01 -1.3746E+01
 -1.5625E+00  3.6745E+00 -1.5376E+00
  5.9544E+02 -1.8719E+03 -4.9826E+03
OH            2918    0.000000   -0.683000
 -9.1917E+00 -1.0968E+01 -1.3738E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2919    1.008000    0.418000
 -9.6737E+00 -1.0289E+01 -1.3292E+01
 -1.1246E+01  2.1977E+00 -1.4717E+01
 -6.2407E+02 -3.2660E+02 -8.0537E+02
HC            2920    1.008000    0.040000
 -7.1887E+00 -1.1225E+01 -1.3927E+01
  5.5978E-01  3.5495E+00  6.8953E+00
  1.0891E+03  2.8166E+02  1.7138E+03
HC            2921    1.008000    0.040000
 -7.5795E+00 -9.8076E+00 -1.2897E+01
  9.5433E+00  4.5013E+00 -6.0859E+00
 -3.9821E+02 -1.8689E+03  7.3634E+02
HC            2922    1.008000    0.040000
 -7.7569E+00 -9.7918E+00 -1.4630E+01
  1.7007E+01 -2.5786E-01 -1.8194E+00
 -1.9694E+02  8.1790E+02  6.8623E+02
CT            2923   12.011000    0.145000
 -1.4174E+01 -1.7239E+01  7.9974E+00
 -1.1740E+00  2.3177E+00  5.5445E+00
 -4.4883E+03 -1.0480E+03 -1.6910E+03
OH            2924    0.000000   -0.683000
 -1.4360E+01 -1.5966E+01  7.4192E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2925    1.008000    0.418000
 -1.3611E+01 -1.5443E+01  7.6622E+00
  4.3179E+00  9.6114E+00 -2.9869E+01
 -1.3580E+03  9.1254E+02 -1.2939E+03
HC            2926    1.008000    0.040000
 -1.3249E+01 -1.7796E+01  7.8474E+00
 -7.6155E+00 -1.0105E+01  1.0497E+01
  4.4770E+02  2.0365E+03 -5.0487E+02
HC            2927    1.008000    0.040000
 -1.4918E+01 -1.7789E+01  7.4220E+00
  1.1677E+01 -5.3529E+00 -4.3167E+00
  2.7436E+01 -2.3608E+03  2.1027E+03
HC            2928    1.008000    0.040000
 -1.4417E+01 -1.7207E+01  9.0593E+00
 -2.5319E+00 -7.6798E+00  5.6240E+00
  2.0165E+02 -1.0405E+03 -4.7051E+01
CT            2929   12.011000    0.145000
  1.2949E+01 -1.6351E+01  9.1689E+00
 -5.0850E-01 -4.3350E+00 -3.2928E+00
  1.5824E+03  5.8021E+03 -9.0130E+02
OH            2930    0.000000   -0.683000
  1.4323E+01 -1.6623E+01  9.3239E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2931    1.008000    0.418000
  1.4336E+01 -1.7505E+01  8.9848E+00
  6.1403E+00 -7.4237E+00  1.8288E+01
  2.4520E+03  5.5084E+02 -1.3219E+02
HC            2932    1.008000    0.040000
  1.2222E+01 -1.7154E+01  9.2893E+00
 -1.2329E+01  7.8795E+00  1.0911E+01
  2.7963E+03 -1.0670E+03 -5.1669E+02
HC            2933    1.008000    0.040000
  1.2811E+01 -1.5813E+01  8.2308E+00
  2.1957E+01 -1.9759E+01 -1.6400E+01
  1.1778E+03 -4.1600E+03 -2.3857E+03
HC            2934    1.008000    0.040000
  1.2482E+01 -1.5563E+01  9.7595E+00
 -9.6149E+00 -1.2214E+01  3.0344E-01
  3.5508E+03 -9.6527E+02  4.1552E+03
CT            2935   12.011000    0.145000
  1.6454E+00  1.4111E+01  1.7887E+01
 -3.2640E+00 -1.4348E+00  1.8817E+00
 -2.7341E+03  2.6867E+03 -2.9514E+03
OH            2936    0.000000   -0.683000
  1.6837E+00  1.5204E+01  1.8778E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2937    1.008000    0.418000
  8.2833E-01  1.5473E+01  1.9075E+01
  3.9032E+00  1.2091E+01  8.1467E-01
 -2.0218E+02  3.0320E+03 -3.5762E+03
HC            2938    1.008000    0.040000
  2.1685E+00  1.3207E+01  1.8197E+01
 -3.2828E+00 -5.0031E+00 -8.1361E+00
 -5.5328E+02  5.0361E+02  6.1305E+02
HC            2939    1.008000    0.040000
  2.0604E+00  1.4390E+01  1.6918E+01
  8.1764E-01  1.0314E+01  6.8321E+00
  1.9417E+03  9.0556E+02  9.8431E+02
HC            2940    1.008000    0.040000
  6.3901E-01  1.3863E+01  1.7550E+01
 -4.0461E-02 -3.0297E+00 -6.8337E+00
 -7.1296E+02 -5.5777E+02  2.3593E+03
CT            2941   12.011000    0.145000
  1.4490E+01  1.0440E+01 -5.8956E+00
  5.1977E+00 -4.7133E+00 -1.0312E+01
  3.7807E+03 -1.0539E+02 -1.2163E+03
OH            2942    0.000000   -0.683000
  1.5179E+01  9.4993E+00 -5.1031E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2943    1.008000    0.418000
  1.4732E+01  8.6845E+00 -5.2750E+00
  1.1976E+01 -5.6238E+00 -5.6859E+00
  2.7393E+03 -1.8338E+03  2.2681E+03
HC            2944    1.008000    0.040000
  1.4264E+01  9.9207E+00 -6.8267E+00
  5.3608E-01  6.5649E-01 -1.2232E+01
  2.8275E+02  1.8030E+03 -1.0873E+03
HC            2945    1.008000    0.040000
  1.5174E+01  1.1281E+01 -6.0097E+00
  2.2440E+01 -1.4733E+01  1.1552E+01
  7.5252E+02 -1.5054E+03 -9.0496E+02
HC            2946    1.008000    0.040000
  1.3561E+01  1.0919E+01 -5.5884E+00
  2.6443E+00 -1.3767E+01 -3.4840E+00
 -4.3831E+02 -3.7448E+03  3.6047E+03
CT            2947   12.011000    0.145000
  6.2650E+00  1.2162E+01 -1.8766E+01
 -2.4678E+00 -1.3177E-01  2.3786E-01
 -8.2093E+02 -4.3786E+02  1.3146E+03
OH            2948    0.000000   -0.683000
  6.3035E+00  1.0804E+01 -1.9145E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2949    1.008000    0.418000
  6.6465E+00  1.0884E+01 -2.0022E+01
 -4.8226E+00  1.4750E+01 -8.2511E-01
 -1.5088E+02 -2.3417E+03  1.7382E+02
HC            2950    1.008000    0.040000
  5.6376E+00  1.2256E+01 -1.7880E+01
 -2.8646E+01 -1.0755E+01 -1.5972E+01
 -1.9312E+02  3.4377E+02 -1.1403E+03
HC            2951    1.008000    0.040000
  5.7938E+00  1.2683E+01 -1.9600E+01
 -5.4735E-01  8.6838E+00  4.5417E+00
 -3.6857E+02  1.5277E+03  1.2998E+03
HC            2952    1.008000    0.040000
  7.2211E+00  1.2633E+01 -1.8539E+01
 -1.3317E+01  1.1936E+01  2.4608E+01
 -3.5590E+02 -1.1312E+03 -7.9967E+02
CT            2953   12.011000    0.145000
  7.2107E+00  3.5030E+00  8.3993E+00
  3.3062E+00 -4.6105E-01 -1.1666E+00
  2.3071E+03  2.5717E+03  1.9453E+03
OH            2954    0.000000   -0.683000
  7.4407E+00  2.5694E+00  9.4307E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2955    1.008000    0.418000
  7.4012E+00  1.6945E+00  9.0759E+00
 -5.4617E+00 -1.1986E+01  2.7539E+01
  1.1823E+03  1.9849E+03 -1.5222E+03
HC            2956    1.008000    0.040000
  6.8845E+00  4.3584E+00  8.9908E+00
  7.7552E+00  5.8574E+00 -7.6792E+00
 -8.8774E+02  1.9172E+03 -2.9374E+03
HC            2957    1.008000    0.040000
  6.4859E+00  3.2336E+00  7.6311E+00
  1.3865E+00  8.7501E+00 -2.7039E+00
 -7.8722E+02  6.5276E+01  1.2728E+03
HC            2958    1.008000    0.040000
  8.1624E+00  3.7614E+00  7.9349E+00
  1.1742E+01 -1.9177E+01  4.7193E+00
 -3.9475E+02 -4.4569E+02 -4.4850E+02
CT            2959   12.011000    0.145000
 -1.1037E+01  5.0332E+00  5.9677E+00
 -6.0529E-01  6.5168E-01  8.1532E+00
 -2.7568E+02  8.3649E+02  2.2662E+03
OH            2960    0.000000   -0.683000
 -1.2036E+01  6.0149E+00  5.8068E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2961    1.008000    0.418000
 -1.1570E+01  6.8336E+00  5.7284E+00
 -1.3772E+00  2.2156E+00  1.2787E+01
  1.8146E+03 -1.1242E+03  9.8172E+02
HC            2962    1.008000    0.040000
 -1.0090E+01  5.3173E+00  5.5082E+00
 -6.2543E+00 -9.8923E+00 -1.1125E+01
 -9.6616E+02 -1.4070E+03 -2.0617E+03
HC            2963    1.008000    0.040000
 -1.1353E+01  4.0810E+00  5.5414E+00
  2.0100E+01 -1.6167E+00 -3.4458E+00
  1.3571E+03  1.1884E+02  1.3963E+02
HC            2964    1.008000    0.040000
 -1.0807E+01  4.9236E+00  7.0275E+00
 -3.9637E-01 -4.1024E+00  7.6380E+00
 -6.1152E+02 -9.6059E+02  2.0487E+02
CT            2965   12.011000    0.145000
  1.3473E+01 -2.7392E+00  9.1465E+00
  3.3166E+00  1.7046E-01  1.1634E+00
  3.2249E+03 -1.6963E+03  5.4332E+02
OH            2966    0.000000   -0.683000
  1.3906E+01 -2.3937E+00  7.8500E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2967    1.008000    0.418000
  1.3094E+01 -2.3290E+00  7.3711E+00
 -1.5167E+01  2.8821E+01  2.5991E+01
  1.2652E+03  5.3246E+02  1.3379E+03
HC            2968    1.008000    0.040000
  1.3061E+01 -1.8257E+00  9.5754E+00
 -6.0902E+00  3.3891E+00 -1.3961E+01
 -5.0802E+02 -1.5389E+03  1.3281E+03
HC            2969    1.008000    0.040000
  1.4457E+01 -3.0191E+00  9.5218E+00
  9.1272E+00  2.3434E+01  4.8440E+00
 -1.4659E+03  7.0899E+02  3.8115E+03
HC            2970    1.008000    0.040000
  1.2784E+01 -3.5830E+00  9.1068E+00
 -1.0465E+01  1.1222E+01 -2.8784E+00
 -1.0735E+03  1.1761E+03  9.2320E+02
CT            2971   12.011000    0.145000
  2.0185E+01  7.8171E+00 -1.7009E+01
 -6.6255E+00 -3.8029E+00 -6.4955E-01
  6.4159E+03  3.9449E+03  2.8678E+03
OH            2972    0.000000   -0.683000
 -2.0098E+01  6.6675E+00 -1.6473E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2973    1.008000    0.418000
 -2.0145E+01  6.7489E+00 -1.5533E+01
 -3.2391E+00 -2.5481E+01  2.7537E+00
  1.3030E+03 -1.1553E+03 -4.5516E+02
HC            2974    1.008000    0.040000
  1.9128E+01  8.0829E+00 -1.7020E+01
 -4.0937E+00  7.0657E+00 -1.7165E+01
  3.4595E+01 -4.1814E+03  6.7129E+02
HC            2975    1.008000    0.040000
 -2.0291E+01  8.1420E+00 -1.7959E+01
 -1.7711E+01 -2.9269E+01 -1.5332E+01
 -1.0365E+03 -2.3473E+03 -7.2808E+02
HC            2976    1.008000    0.040000
 -2.0362E+01  8.5387E+00 -1.6272E+01
 -3.1384E+01 -6.9900E+00  1.5508E+01
 -7.9733E+02  5.4464E+02 -4.2799E+02
CT            2977   12.011000    0.145000
  1.5140E+01  2.1690E+00 -8.6720E+00
  6.1093E+00  3.7154E+00  5.5137E+00
  2.0592E+03 -3.9858E+03 -1.1774E+03
OH            2978    0.000000   -0.683000
  1.4669E+01  1.3590E+00 -7.6185E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2979    1.008000    0.418000
  1.3772E+01  1.6111E+00 -7.4588E+00
  2.0050E+00  2.3358E+00  8.0302E+00
 -2.1577E+02 -1.6387E+03  9.4722E+02
HC            2980    1.008000    0.040000
  1.6126E+01  1.7953E+00 -8.9506E+00
 -1.5614E+00  1.8195E+00 -2.2008E+01
  8.8514E+02  3.2676E+03  1.4612E+03
HC            2981    1.008000    0.040000
  1.5062E+01  3.2109E+00 -8.3612E+00
  7.9668E+00  1.1917E+00  1.4747E+01
  1.6201E+03  3.9423E+01 -1.4627E+03
HC            2982    1.008000    0.040000
  1.4646E+01  1.9795E+00 -9.6249E+00
 -1.9709E+00  7.7883E+00  8.7953E+00
 -2.5322E+03  1.0141E+03  1.0246E+03
CT            2983   12.011000    0.145000
 -1.3843E+01 -1.0407E+01 -1.4951E+01
  1.7521E+00 -1.8038E+00 -2.5276E+00
  9.9777E+02 -2.2419E+03 -1.2349E+03
OH            2984    0.000000   -0.683000
 -1.5058E+01 -1.0625E+01 -1.5632E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2985    1.008000    0.418000
 -1.5250E+01 -9.7103E+00 -1.5770E+01
  3.2127E+01  1.1512E+01  2.0268E+01
 -2.5565E+03 -3.2733E+03 -1.8118E+03
HC            2986    1.008000    0.040000
 -1.3310E+01 -1.1237E+01 -1.4487E+01
  1.4578E+01  1.2791E+01  1.0006E+01
 -2.3091E+03 -1.0313E+03 -4.6264E+02
HC            2987    1.008000    0.040000
 -1.4068E+01 -9.7008E+00 -1.4152E+01
 -5.3511E+00 -5.5449E+00 -1.1341E+00
  1.3821E+03  8.1697E+02 -7.8871E+02
HC            2988    1.008000    0.040000
 -1.3110E+01 -1.0043E+01 -1.5671E+01
  8.8420E+00  3.1309E+00  6.9572E+00
 -1.0957E+00  1.8402E+03  9.7324E+02
CT            2989   12.011000    0.145000
  1.3106E+00  2.7515E+00  1.5242E+00
  2.5110E-01  5.9638E+00  9.3253E-01
 -1.1051E+03  5.7468E+03 -6.3281E+02
OH            2990    0.000000   -0.683000
  2.2460E+00  2.8699E+00  4.7577E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2991    1.008000    0.418000
  3.0801E+00  2.7047E+00  8.8806E-01
  1.1851E+00  3.9581E+00 -7.6809E-01
  1.0975E+03  1.0849E+03 -1.7881E+03
HC            2992    1.008000    0.040000
  1.4705E+00  3.5191E+00  2.2813E+00
 -1.6527E+01  1.2820E+01 -2.0299E+00
  1.4971E+03 -9.0533E+02  3.5923E+02
HC            2993    1.008000    0.040000
  1.2365E+00  1.7960E+00  2.0435E+00
 -2.4048E+01  7.1961E+00  8.6943E-01
 -1.0105E+03  7.2446E+01 -1.9359E+03
HC            2994    1.008000    0.040000
  3.1923E-01  3.0618E+00  1.1941E+00
 -1.9988E+01 -3.4727E+01  1.6482E+01
  2.8416E+02 -3.6009E+03  1.6151E+02
CT            2995   12.011000    0.145000
 -2.0157E+01  1.6069E+01  1.9800E+01
  6.7969E+00  3.2482E+00  2.9618E+00
 -9.0511E+02  3.8439E+03 -9.1121E+02
OH            2996    0.000000   -0.683000
  2.0060E+01  1.6392E+01 -1.9910E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            2997    1.008000    0.418000
 -2.0273E+01  1.6933E+01 -1.9382E+01
 -2.6785E+00  1.3575E+01 -1.0464E+01
 -1.1169E+03 -3.8346E+02  9.2036E+02
HC            2998    1.008000    0.040000
 -1.9756E+01  1.7022E+01  1.9456E+01
 -2.0718E+00  9.1564E+00  8.5628E+00
  1.4170E+03 -8.7456E+02 -9.1114E+02
HC            2999    1.008000    0.040000
  1.9915E+01  1.5811E+01  1.9138E+01
 -4.4151E+00  6.3648E+00  1.5338E+01
  2.1838E+03 -2.5055E+03 -1.0421E+03
HC            3000    1.008000    0.040000
 -1.9414E+01  1.5292E+01  1.9980E+01
 -7.6707E+00 -1.0713E+01  4.6743E+00
 -7.1190E+02 -6.4544E+01 -1.1344E+03
CT            3001   12.011000    0.145000
 -8.5725E+00 -1.7480E+01  6.1263E+00
 -2.5145E+00  1.6102E+00  2.7286E+00
  1.0973E+03  4.6781E+03  1.3952E+03
OH            3002    0.000000   -0.683000
 -7.7406E+00 -1.7949E+01  7.1637E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3003    1.008000    0.418000
 -7.0341E+00 -1.7322E+01  7.1383E+00
  1.9954E+00 -1.8730E+00  7.0215E+00
  8.1224E+02 -8.6668E+02  1.5377E+03
HC            3004    1.008000    0.040000
 -9.5934E+00 -1.7823E+01  5.9577E+00
 -2.8461E+00  1.3242E+01 -2.3920E+01
  1.5462E+03 -1.3561E+03  1.1281E+03
HC            3005    1.008000    0.040000
 -7.9941E+00 -1.7487E+01  5.2025E+00
  1.0216E+01  1.2948E+00  1.0462E+01
 -1.1164E+03 -1.3132E+03 -2.9719E+02
HC            3006    1.008000    0.040000
 -8.6709E+00 -1.6414E+01  6.3330E+00
 -2.4834E+01  4.9078E+00 -1.9946E+01
 -2.2446E+03 -2.6452E+02 -1.1466E+03
CT            3007   12.011000    0.145000
  7.1422E+00 -1.1690E+01 -1.3677E+01
 -1.5830E-01  5.9948E+00  9.0176E+00
 -3.8603E+02 -3.5683E+03 -2.3276E+03
OH            3008    0.000000   -0.683000
  5.8552E+00 -1.2186E+01 -1.3383E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3009    1.008000    0.418000
  5.6162E+00 -1.1540E+01 -1.2735E+01
  2.6989E+01  1.8782E+01 -7.0138E+00
  9.7274E+02 -5.1771E+02 -7.5511E+02
HC            3010    1.008000    0.040000
  7.6860E+00 -1.2324E+01 -1.4378E+01
 -7.7538E-01  1.8448E+01 -3.1368E+00
 -1.3891E+03 -1.4080E+03  3.0746E+02
HC            3011    1.008000    0.040000
  7.7286E+00 -1.1681E+01 -1.2758E+01
 -1.7169E+01  4.3429E+00  2.0350E+01
 -5.1370E+02  1.9146E+03 -3.7237E+02
HC            3012    1.008000    0.040000
  7.1531E+00 -1.0780E+01 -1.4276E+01
 -6.7286E+00 -4.0828E+00 -7.0969E+00
 -1.1372E+03  8.7155E+02  2.6125E+03
CT            3013   12.011000    0.145000
  9.6615E+00 -3.4057E+00 -8.5293E+00
  1.6600E+00 -6.5530E+00  5.1327E+00
 -2.3889E+03 -2.7060E+03  4.7427E+03
OH            3014    0.000000   -0.683000
  8.7772E+00 -4.2070E+00 -9.2803E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3015    1.008000    0.418000
  8.5186E+00 -4.9368E+00 -8.7385E+00
  2.7803E+01 -1.1112E+01 -4.2324E-02
  3.3961E+03 -8.7380E+02 -5.0105E+02
HC            3016    1.008000    0.040000
  9.1984E+00 -2.4254E+00 -8.4162E+00
 -5.7981E+00 -1.2509E+01  3.4811E+01
  2.7247E+03  4.3100E+01  5.6427E+02
HC            3017    1.008000    0.040000
  1.0719E+01 -3.4091E+00 -8.7933E+00
 -6.4902E+00  1.4234E+01 -3.6118E+01
 -2.3492E+03  4.0440E+02 -1.2586E+03
HC            3018    1.008000    0.040000
  9.4868E+00 -3.8903E+00 -7.5687E+00
  4.6524E-02  1.5811E+01  1.6786E+01
  2.3505E+03  3.0047E+03  2.1496E+03
CT            3019   12.011000    0.145000
  4.7870E+00  4.7014E+00 -1.3332E+01
  3.8146E-01 -1.1031E+00  9.0831E-02
  1.9070E+03 -6.4989E+03  6.3706E+03
OH            3020    0.000000   -0.683000
  6.1152E+00  5.1683E+00 -1.3253E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3021    1.008000    0.418000
  6.5531E+00  4.9506E+00 -1.2445E+01
  7.8835E+00 -2.5465E+01 -1.0122E+01
 -2.0449E+03 -4.7085E+02 -6.1000E+01
HC            3022    1.008000    0.040000
  4.1130E+00  5.3542E+00 -1.2777E+01
 -1.5901E+01 -9.9884E+00 -8.4862E+00
 -9.0611E+02 -3.1595E+02 -1.5699E+03
HC            3023    1.008000    0.040000
  4.8989E+00  3.7474E+00 -1.2816E+01
  4.7747E+01  8.3673E+00  1.2149E+01
 -7.8624E+02  1.9933E+03  3.8808E+02
HC            3024    1.008000    0.040000
  4.4091E+00  4.4615E+00 -1.4326E+01
 -1.3219E+01  1.6895E+01  4.0639E-01
 -2.2265E+02  4.3894E+03 -3.2173E+02
CT            3025   12.011000    0.145000
 -1.8196E+01 -5.3898E+00  1.8496E+01
  3.9346E+00  4.1286E+00 -1.3715E+00
 -1.5496E+03 -3.8276E+02  4.5118E+02
OH            3026    0.000000   -0.683000
 -1.8897E+01 -5.1267E+00  1.7302E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3027    1.008000    0.418000
 -1.8653E+01 -4.2611E+00  1.7012E+01
 -7.7629E+00 -3.3921E+00 -1.8068E+01
 -1.5319E+03 -7.9588E+00 -1.0682E+02
HC            3028    1.008000    0.040000
 -1.7123E+01 -5.5700E+00  1.8564E+01
  2.5262E+00 -1.0284E+01 -1.2441E+01
  1.7002E+02  1.4189E+03 -4.6659E+03
HC            3029    1.008000    0.040000
 -1.8572E+01 -6.3628E+00  1.8813E+01
 -1.2090E-01 -1.4887E+00 -2.1980E+01
 -1.3920E+03  1.9151E+03  2.2941E+03
HC            3030    1.008000    0.040000
 -1.8369E+01 -4.5132E+00  1.9121E+01
  1.6249E+01  7.2008E-01  7.1952E+00
 -7.6777E+02 -2.0540E+03  2.4100E+03
CT            3031   12.011000    0.145000
  2.0328E+01 -5.0815E+00 -1.2525E+00
 -2.4367E+00 -2.7165E+00 -3.3598E+00
  1.1429E+03  6.6099E+02  4.5691E+02
OH            3032    0.000000   -0.683000
 -1.9780E+01 -6.1986E+00 -9.1635E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3033    1.008000    0.418000
 -2.0169E+01 -6.4924E+00 -1.0664E-01
 -1.1422E+01  4.8760E+00 -3.5080E+00
 -2.4191E+02  2.5864E+03  6.6159E+02
HC            3034    1.008000    0.040000
  1.9286E+01 -5.3996E+00 -1.2882E+00
 -2.8621E+00 -2.2710E+00  3.6745E+00
 -7.7067E+01  8.6464E+02 -3.8286E+02
HC            3035    1.008000    0.040000
 -2.0220E+01 -4.6963E+00 -2.2094E+00
 -7.6602E+00 -1.5591E+01 -1.0724E+01
 -1.6917E+03  3.9062E+02 -2.4707E+02
HC            3036    1.008000    0.040000
  2.0415E+01 -4.3438E+00 -4.5486E-01
 -1.0743E+01 -1.2510E+01  6.9498E+00
 -4.4106E+02  1.8566E+02 -3.7228E+02
CT            3037   12.011000    0.145000
 -1.9670E+01 -1.6472E+01  1.1041E+01
 -2.2651E+00  7.3494E+00 -3.2164E+00
  3.9783E+03 -6.2688E+03  1.2580E+03
OH            3038    0.000000   -0.683000
 -1.8641E+01 -1.5844E+01  1.1772E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3039    1.008000    0.418000
 -1.8950E+01 -1.4975E+01  1.1977E+01
  1.5045E+01  5.0923E+00  2.3249E+00
  1.6105E+03  4.7371E+02 -3.7398E+02
HC            3040    1.008000    0.040000
  2.0285E+01 -1.6481E+01  1.1585E+01
 -1.3836E+01  3.0518E+00 -2.2413E+01
 -1.7401E+03  3.4894E+03 -3.9125E+03
HC            3041    1.008000    0.040000
 -1.9399E+01 -1.7528E+01  1.1036E+01
  4.0496E+00  8.5346E+00 -2.6197E+01
  4.0093E+02 -1.5322E+02 -2.2629E+03
HC            3042    1.008000    0.040000
 -1.9489E+01 -1.6131E+01  1.0022E+01
  2.2173E+01 -9.8877E+00 -5.5165E+00
 -5.5242E+03 -5.7179E+02  5.6613E+02
CT            3043   12.011000    0.145000
 -1.1094E+01  1.7542E+01  1.2844E+01
 -1.1152E+00  3.1143E+00  2.4545E+00
  1.1028E+03  2.3265E+03  1.6858E+03
OH            3044    0.000000   -0.683000
 -1.1087E+01  1.8413E+01  1.1735E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3045    1.008000    0.418000
 -1.0553E+01  1.9168E+01  1.1932E+01
 -1.1386E+01  7.0198E+00  4.9640E+00
 -1.6757E+03  2.4919E+02  3.1534E+03
HC            3046    1.008000    0.040000
 -1.1451E+01  1.8194E+01  1.3641E+01
  2.3533E+01  1.2667E+01  6.5760E+00
  1.5120E+03 -2.1616E+03  1.8711E+03
HC            3047    1.008000    0.040000
 -1.0056E+01  1.7252E+01  1.3007E+01
 -3.9452E+00 -1.9463E+00  1.2276E+01
 -2.8046E+02  1.7530E+02  2.1398E+03
HC            3048    1.008000    0.040000
 -1.1677E+01  1.6621E+01  1.2846E+01
 -5.4011E-01  2.7484E+00  2.0100E+00
 -8.9947E+02  8.3746E+02 -2.7776E+03
CT            3049   12.011000    0.145000
 -1.5725E+01 -1.5642E+01 -2.1312E+00
 -2.3030E+00 -3.7014E+00 -3.6964E-02
  3.5481E+02 -3.2000E+03  2.1571E+03
OH            3050    0.000000   -0.683000
 -1.4798E+01 -1.6205E+01 -3.0320E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3051    1.008000    0.418000
 -1.4141E+01 -1.5527E+01 -3.0807E+00
 -2.1041E+01  2.2091E+01  4.3588E+00
 -5.6795E+02 -9.7690E+02 -5.4684E+02
HC            3052    1.008000    0.040000
 -1.6244E+01 -1.6385E+01 -1.5262E+00
  8.3108E+00 -7.4741E+00  4.6812E+00
  4.6042E+02 -1.4781E+03 -1.1779E+03
HC            3053    1.008000    0.040000
 -1.6487E+01 -1.5045E+01 -2.6332E+00
  1.4122E+01  1.0492E+01 -9.2159E+00
  1.6066E+03  1.6444E+03  8.2548E+02
HC            3054    1.008000    0.040000
 -1.5162E+01 -1.5074E+01 -1.3906E+00
 -9.1085E+00  1.2431E+01 -6.7555E+00
 -1.3029E+03  2.0755E+03 -8.1420E+02
CT            3055   12.011000    0.145000
  1.1593E+01  1.6008E+01  2.9738E+00
 -3.0700E-01 -1.5296E+00  4.3636E+00
 -8.8031E+02  2.9168E+02 -3.6601E+03
OH            3056    0.000000   -0.683000
  1.2326E+01  1.4857E+01  2.6171E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3057    1.008000    0.418000
  1.3241E+01  1.5018E+01  2.7886E+00
 -5.3337E+00  2.1277E+01  1.2121E+01
 -7.3551E+02  1.6806E+02  3.3798E+02
HC            3058    1.008000    0.040000
  1.0551E+01  1.5912E+01  2.6700E+00
 -1.6508E+00 -9.1478E+00  1.1020E+01
 -2.9481E+02 -1.6605E+03  1.0628E+03
HC            3059    1.008000    0.040000
  1.1934E+01  1.6786E+01  2.2908E+00
  9.3863E+00 -1.8963E+01 -1.1615E+01
  1.5902E+03  5.2336E+02  2.2823E+03
HC            3060    1.008000    0.040000
  1.1629E+01  1.6215E+01  4.0434E+00
  1.3481E+00 -2.2561E+00  4.4519E+00
  1.0932E+03  1.2084E+03 -5.7990E+02
CT            3061   12.011000    0.145000
 -1.0775E+01 -3.2367E+00  1.3765E+01
  1.7641E+00  1.3269E+00 -9.8799E-01
  8.1498E+02 -3.3340E+03  1.4760E+03
OH            3062    0.000000   -0.683000
 -1.0520E+01 -2.6459E+00  1.5020E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3063    1.008000    0.418000
 -9.6575E+00 -2.9622E+00  1.5241E+01
 -1.4634E+00 -9.2894E+00 -6.9500E+00
 -5.0232E+02  2.1255E+02  1.4169E+03
HC            3064    1.008000    0.040000
 -1.0002E+01 -3.0601E+00  1.3017E+01
 -1.0394E+01  9.3660E+00 -1.2106E+01
 -1.6832E+03  2.6354E+03 -8.0694E+02
HC            3065    1.008000    0.040000
 -1.1763E+01 -2.9375E+00  1.3414E+01
  1.2624E+01  9.8010E+00 -2.6787E+01
  1.2960E+03 -9.1335E+02 -2.1311E+03
HC            3066    1.008000    0.040000
 -1.0702E+01 -4.3133E+00  1.3919E+01
 -1.1394E+01 -1.3442E+00 -1.1539E+01
 -2.5269E+03 -3.8691E+02 -3.6313E+02
CT            3067   12.011000    0.145000
  5.8288E+00  1.8430E+01  1.9669E+01
  5.5521E+00 -1.8433E-01 -8.5814E+00
  2.8694E+03  1.9280E+03  1.3263E+03
OH            3068    0.000000   -0.683000
  5.4734E+00  1.9772E+01  1.9422E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3069    1.008000    0.418000
  6.3404E+00  2.0141E+01  1.9350E+01
  1.1193E-01  4.6123E+00  1.9471E+01
 -1.6411E+03  2.9782E+03  3.2579E+02
HC            3070    1.008000    0.040000
  6.4608E+00  1.8537E+01 -2.0350E+01
 -4.2054E+00 -8.9030E+00 -2.5529E-01
  1.5091E+03 -1.7130E+03 -8.7847E+02
HC            3071    1.008000    0.040000
  6.3719E+00  1.7962E+01  1.8848E+01
  1.2150E+00 -4.4322E+01  1.0848E+01
 -9.9620E+02 -8.0911E+02  2.2999E+03
HC            3072    1.008000    0.040000
  5.0612E+00  1.7758E+01  2.0052E+01
 -1.6718E+00  1.0989E+01 -2.9002E+00
 -1.3604E+03  9.0316E+02 -2.3313E+03
CT            3073   12.011000    0.145000
  5.1101E+00 -9.6497E+00 -6.8149E+00
  4.7680E+00  1.4541E+00  7.8995E-01
  6.2473E+02  1.7162E+03  1.5313E+03
OH            3074    0.000000   -0.683000
  5.1818E+00 -1.0508E+01 -5.6988E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3075    1.008000    0.418000
  4.3877E+00 -1.0282E+01 -5.2389E+00
 -2.5776E+00  3.1210E+01 -1.7020E+01
  6.5167E+02 -1.8604E+03 -1.1214E+03
HC            3076    1.008000    0.040000
  5.8994E+00 -9.7836E+00 -7.5546E+00
  1.9394E+00 -1.4452E+01  2.9687E-01
  1.0209E+03 -5.9366E+02  1.6167E+03
HC            3077    1.008000    0.040000
  5.1599E+00 -8.6664E+00 -6.3471E+00
 -1.4338E+01  9.8152E+00 -1.3390E+01
 -7.0378E+02  1.0804E+03 -2.6418E+03
HC            3078    1.008000    0.040000
  4.1844E+00 -9.6628E+00 -7.3902E+00
  2.1097E+00  2.3785E+01  3.6630E+00
 -6.5074E+02 -2.1691E+02  2.1873E+03
CT            3079   12.011000    0.145000
  1.1542E+01 -1.0679E+01  1.7092E+01
 -5.4531E+00  4.2642E+00  1.1171E+00
 -5.1747E+03  1.8489E+03  2.9806E+03
OH            3080    0.000000   -0.683000
  1.0718E+01 -1.1550E+01  1.6349E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3081    1.008000    0.418000
  1.0418E+01 -1.0984E+01  1.5653E+01
  8.4985E+00  2.2780E+01  1.3731E+01
 -1.4504E+03  1.3996E+03  2.6063E+03
HC            3082    1.008000    0.040000
  1.2154E+01 -1.1158E+01  1.7856E+01
  1.7353E+00  1.9218E+01  5.1095E+00
  2.7871E+02  2.1158E+02 -6.6049E+02
HC            3083    1.008000    0.040000
  1.0731E+01 -1.0197E+01  1.7638E+01
 -5.1813E+00 -1.7699E+01  2.2636E+01
  3.0487E+03  3.0037E+03  7.0493E+02
HC            3084    1.008000    0.040000
  1.2138E+01 -1.0048E+01  1.6432E+01
  5.2736E+00  5.6285E+00  1.1771E+01
  3.0645E+02  6.8723E+02  1.6466E+03
CT            3085   12.011000    0.145000
 -9.2886E+00  2.0208E+00  8.0426E+00
 -5.3007E+00  4.6302E-01  2.4229E+00
 -3.0580E+03 -4.6796E+01  1.5978E+03
OH            3086    0.000000   -0.683000
 -9.5570E+00  6.8029E-01  7.6975E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3087    1.008000    0.418000
 -9.1251E+00  5.5025E-01  6.8671E+00
  4.8425E+00 -4.6824E+00  3.1844E+00
 -1.1732E+03 -4.8114E+02 -4.3974E+02
HC            3088    1.008000    0.040000
 -8.6953E+00  2.5297E+00  7.2830E+00
  1.2262E+01  5.3360E+00  1.8621E+01
 -1.3216E+03  5.6419E+02  5.2650E+02
HC            3089    1.008000    0.040000
 -8.7426E+00  2.0467E+00  8.9857E+00
  4.2509E+00  9.5433E+00 -3.1391E+00
 -3.5806E+01  1.5359E+03 -1.8432E+02
HC            3090    1.008000    0.040000
 -1.0314E+01  2.3878E+00  8.0878E+00
  4.2301E+00  3.4048E+01 -1.7946E+01
  2.3452E+03  4.3275E+03  6.1992E+02
CT            3091   12.011000    0.145000
 -1.2548E+01 -6.8834E-01  1.7178E+00
 -2.5678E+00 -4.3687E-01 -5.5676E+00
  1.4478E+03  3.5005E+03 -1.4023E+03
OH            3092    0.000000   -0.683000
 -1.1356E+01 -1.2535E+00  1.2193E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3093    1.008000    0.418000
 -1.1199E+01 -2.0284E+00  1.7368E+00
  1.3112E+00  8.3103E+00  1.2484E+01
 -2.0105E+03  2.1159E+02  5.1210E+02
HC            3094    1.008000    0.040000
 -1.3455E+01 -9.4894E-01  1.1728E+00
 -1.1816E+01  1.1799E+00  8.5268E+00
 -3.3792E+02 -1.8272E+03  1.9998E+03
HC            3095    1.008000    0.040000
 -1.2400E+01  3.8356E-01  1.5867E+00
 -1.7346E+01  3.2913E+00  5.5124E+00
 -4.2622E+02  5.0938E+02  2.6662E+03
HC            3096    1.008000    0.040000
 -1.2524E+01 -9.4052E-01  2.7780E+00
 -1.1192E+01  1.4421E+00 -4.8500E+00
 -3.8063E+03  3.4550E+03  7.5283E+02
CT            3097   12.011000    0.145000
  4.3086E+00  1.1408E+01 -7.8828E-01
  3.4670E-01 -1.4524E+00 -4.9502E-02
 -6.7310E+02 -2.1827E+03  2.9778E+03
OH            3098    0.000000   -0.683000
  3.0210E+00  1.1119E+01 -1.2851E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3099    1.008000    0.418000
  2.9173E+00  1.0227E+01 -1.5793E+00
  8.8622E+00  2.6355E+00 -1.1886E+01
  4.0797E+03 -7.2510E+02  1.4340E+03
HC            3100    1.008000    0.040000
  5.0831E+00  1.1240E+01 -1.5365E+00
  2.1942E-01 -1.2050E+01  2.0458E+00
 -2.1095E+01  1.1523E+03  2.2414E+02
HC            3101    1.008000    0.040000
  4.5008E+00  1.0751E+01  6.0128E-02
  2.5240E+01  3.4779E+00 -1.1122E+00
  1.6233E+03  3.8616E+02 -2.5144E+02
HC            3102    1.008000    0.040000
  4.2205E+00  1.2434E+01 -4.3023E-01
 -5.3532E+00  1.0609E+00 -8.3505E+00
  2.6279E+03  1.8708E+02 -5.8183E+02
CT            3103   12.011000    0.145000
 -6.3646E+00 -6.5393E+00  3.2803E+00
 -1.6168E+00 -2.5449E+00 -3.0599E+00
  3.4444E+03  5.5891E+02 -9.4643E+02
OH            3104    0.000000   -0.683000
 -5.9159E+00 -7.6715E+00  3.9909E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3105    1.008000    0.418000
 -5.1266E+00 -7.5049E+00  4.4831E+00
  7.8134E+00 -6.9020E+00 -9.7796E+00
  5.2664E+02  4.3005E+03 -2.8104E+03
HC            3106    1.008000    0.040000
 -5.5276E+00 -6.1793E+00  2.6821E+00
  5.6907E+00 -7.4661E+00  3.9912E+00
 -3.0074E+02  2.0399E+03  5.8777E+02
HC            3107    1.008000    0.040000
 -6.7926E+00 -5.8257E+00  3.9844E+00
  3.6846E+00 -1.0400E+01  8.4392E+00
  8.6821E+02  9.6559E+02 -1.0707E+03
HC            3108    1.008000    0.040000
 -7.1162E+00 -6.9555E+00  2.6095E+00
 -3.9336E+00 -8.4026E+00  3.0554E+00
  2.9476E+03  1.9918E+03 -3.8333E+03
CT            3109   12.011000    0.145000
 -1.3291E+01  1.9102E+01  2.4381E+00
  4.7368E-01  2.4606E-01  5.4546E-01
  1.1229E+03 -6.9471E+02 -2.5829E+03
OH            3110    0.000000   -0.683000
 -1.3474E+01  2.0429E+01  1.9970E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3111    1.008000    0.418000
 -1.3531E+01  2.0408E+01  1.0540E+00
  1.4883E+01 -2.5562E+00 -1.1019E+00
 -9.7252E+01  2.4271E+02  2.5599E+02
HC            3112    1.008000    0.040000
 -1.2302E+01  1.8679E+01  2.2602E+00
  1.8221E+00 -4.4465E+00  1.7464E+01
  7.9971E+02  2.2501E+03  1.2628E+02
HC            3113    1.008000    0.040000
 -1.3860E+01  1.8306E+01  1.9578E+00
  2.0774E+01 -2.1593E+01  1.0634E+01
 -2.0411E+03  2.2920E+03  1.2148E+03
HC            3114    1.008000    0.040000
 -1.3430E+01  1.9111E+01  3.5191E+00
 -5.8323E+00  2.3578E+01  9.0559E-02
 -4.0775E+02 -1.5825E+03 -9.3886E+02
CT            3115   12.011000    0.145000
  1.5500E+01  1.3420E+01  1.2356E+01
  4.1365E+00  4.2742E+00 -9.2283E+00
  1.7380E+03  2.5380E+03  4.0516E+03
OH            3116    0.000000   -0.683000
  1.6724E+01  1.2769E+01  1.2616E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3117    1.008000    0.418000
  1.7464E+01  1.3301E+01  1.2366E+01
  1.1598E+01 -8.1651E+00  1.5219E+01
  8.6879E+02 -3.0134E+02  2.8529E+03
HC            3118    1.008000    0.040000
  1.5434E+01  1.4112E+01  1.1517E+01
  4.9938E+00 -6.7272E+00 -1.8628E+01
  2.4067E+03 -2.8368E+03 -2.3434E+03
HC            3119    1.008000    0.040000
  1.5252E+01  1.4139E+01  1.3136E+01
 -8.0957E+00  2.9201E+00 -1.1671E+01
  4.7135E+02 -1.7043E+03  1.9655E+03
HC            3120    1.008000    0.040000
  1.4661E+01  1.2728E+01  1.2292E+01
  6.8469E+00  1.2400E+00 -1.2422E+01
  5.6381E+02 -2.6431E+02  2.7831E+02
CT            3121   12.011000    0.145000
 -4.4002E+00 -1.0522E+01  5.5698E+00
 -5.2278E+00 -2.5892E+00 -8.3003E+00
 -1.0386E+03 -1.3096E+03 -1.3676E+03
OH            3122    0.000000   -0.683000
 -4.2457E+00 -1.1882E+01  5.9090E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3123    1.008000    0.418000
 -3.5098E+00 -1.2110E+01  5.3617E+00
 -1.4449E+01  5.7391E+00 -2.3244E+01
  3.1469E+02 -4.4926E+02  2.5627E+03
HC            3124    1.008000    0.040000
 -5.3658E+00 -1.0048E+01  5.7459E+00
  7.4996E+00  2.7940E+01 -1.4271E+01
  1.3199E+03 -6.1876E+02  2.1647E+03
HC            3125    1.008000    0.040000
 -4.2572E+00 -1.0420E+01  4.4941E+00
  7.2835E+00 -2.8507E+01 -9.8777E+00
  6.6659E+02 -4.9895E+02  6.6127E+02
HC            3126    1.008000    0.040000
 -3.5936E+00 -1.0037E+01  6.1194E+00
 -3.6027E+00 -1.5640E+01  1.3203E+00
 -1.4355E+03  1.7244E+03 -4.7728E+02
CT            3127   12.011000    0.145000
 -1.9107E+01  8.3439E+00  1.6596E+01
  3.0155E+00 -3.4191E+00 -3.1842E+00
 -1.3880E+03  2.0981E+03  9.2690E+02
OH            3128    0.000000   -0.683000
 -1.8015E+01  9.2307E+00  1.6688E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3129    1.008000    0.418000
 -1.7601E+01  9.0995E+00  1.5849E+01
  1.2845E+01 -5.1482E+00  6.8445E+00
  1.5734E+03  2.6794E+03  6.1538E+02
HC            3130    1.008000    0.040000
 -1.9761E+01  8.6674E+00  1.5787E+01
 -1.4299E+01 -2.1300E+01  2.8565E+00
 -6.9102E+02 -6.3402E+02  8.9430E+02
HC            3131    1.008000    0.040000
 -1.9701E+01  8.3496E+00  1.7510E+01
 -1.0651E+01 -1.0047E+00 -1.1783E+01
  2.1881E+01  2.6721E+03 -1.2951E+02
HC            3132    1.008000    0.040000
 -1.8997E+01  7.2677E+00  1.6462E+01
 -3.2663E+00 -3.9890E+00 -4.0562E+00
  3.7784E+03  9.3628E+02 -1.5601E+03
CT            3133   12.011000    0.145000
  1.4716E+00 -1.7510E+01  1.5197E+01
 -9.9130E+00 -3.5486E+00  1.1569E+00
 -1.0530E+03  6.1425E+02 -1.5260E+01
OH            3134    0.000000   -0.683000
  9.9168E-01 -1.6197E+01  1.5018E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3135    1.008000    0.418000
  1.6251E+00 -1.5828E+01  1.4421E+01
  1.9483E+01 -1.7249E+01  8.7641E+00
  1.9848E+02  3.5121E+02  1.6300E+03
HC            3136    1.008000    0.040000
  1.9510E+00 -1.7745E+01  1.4247E+01
 -9.2707E+00  1.2012E+01 -2.6303E+00
  4.8433E+01 -1.4765E+03  8.3679E+02
HC            3137    1.008000    0.040000
  6.1200E-01 -1.8136E+01  1.5438E+01
 -3.8902E+00 -8.1182E+00  1.1472E+01
  1.0978E+03 -1.4693E+03 -2.4089E+02
HC            3138    1.008000    0.040000
  2.1924E+00 -1.7575E+01  1.6013E+01
 -7.1031E+00  8.6618E+00 -1.6321E-01
  2.2658E+02  4.5100E+02 -4.1449E+02
CT            3139   12.011000    0.145000
  5.6314E+00  3.8533E+00 -1.8434E+01
  4.6613E+00 -3.5488E+00 -9.3781E-01
 -9.7060E+02  1.7566E+03 -6.3767E+02
OH            3140    0.000000   -0.683000
  5.0084E+00  3.3517E+00 -1.9595E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3141    1.008000    0.418000
  4.4116E+00  2.7065E+00 -1.9248E+01
  1.2635E+01  7.0187E+00  3.9972E+01
  2.4673E+03  8.5400E+02  1.7697E+03
HC            3142    1.008000    0.040000
  6.2243E+00  4.7563E+00 -1.8579E+01
 -6.7567E+00  8.6943E+00  2.2786E+01
 -1.2634E+03 -1.7128E+02 -7.7467E+02
HC            3143    1.008000    0.040000
  6.3037E+00  3.1531E+00 -1.7938E+01
 -4.4602E+00 -9.4820E+00  3.3265E+00
 -2.1643E+03 -1.2970E+03  6.7272E+02
HC            3144    1.008000    0.040000
  4.7863E+00  4.1914E+00 -1.7834E+01
 -1.0253E+00  1.9780E+01 -2.0508E+01
  2.1736E+03 -2.3955E+02  1.3739E+03
CT            3145   12.011000    0.145000
 -2.3614E+00  5.4498E+00 -9.0921E+00
 -6.5986E+00  2.9216E+00 -2.1908E+00
  4.4275E+03 -1.9812E+02  3.5111E+02
OH            3146    0.000000   -0.683000
 -2.0918E+00  5.0465E+00 -1.0416E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3147    1.008000    0.418000
 -1.1674E+00  4.8505E+00 -1.0422E+01
  9.2173E-01  4.2903E+00 -4.2595E+00
  6.3626E+02  3.0543E+03  6.7377E+02
HC            3148    1.008000    0.040000
 -1.6202E+00  4.8610E+00 -8.5517E+00
 -1.9606E+01 -2.9352E+01 -1.6877E+01
 -1.4287E+03  1.7862E+03  1.3688E+03
HC            3149    1.008000    0.040000
 -3.3580E+00  5.2492E+00 -8.6990E+00
 -1.2477E+01  3.2782E+01  5.2138E-01
  2.6059E+02  2.1724E+03 -9.1121E+02
HC            3150    1.008000    0.040000
 -2.1047E+00  6.5050E+00 -9.1862E+00
  5.1093E+00  9.4547E-01  5.4650E+00
 -1.6109E+03  6.1875E+02  4.0490E+03
CT            3151   12.011000    0.145000
 -7.4527E+00  2.6172E-01 -8.6460E+00
  2.9044E-01  2.2367E+00  1.4637E-01
  2.1281E+03  7.7472E+02 -1.7316E+03
OH            3152    0.000000   -0.683000
 -8.3598E+00  4.4680E-01 -9.7095E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3153    1.008000    0.418000
 -7.8177E+00  6.4030E-01 -1.0459E+01
 -1.1624E+01  1.3182E+01 -5.4575E+00
  2.8466E+02 -1.7612E+03  3.6789E+02
HC            3154    1.008000    0.040000
 -6.7665E+00  1.1041E+00 -8.5581E+00
 -2.2901E+00  7.4052E+00 -2.2839E+01
 -1.5065E+03  1.0381E+03 -1.2689E+03
HC            3155    1.008000    0.040000
 -6.7351E+00 -5.2235E-01 -8.8876E+00
  1.4324E+01  1.4359E+01  1.0600E+00
 -1.1569E+03 -5.7516E+02 -1.3954E+02
HC            3156    1.008000    0.040000
 -7.8375E+00  1.0352E-01 -7.6386E+00
 -9.4675E+00  1.5200E+01 -1.2822E+00
 -2.9166E+03 -4.6520E+02 -1.5990E+03
CT            3157   12.011000    0.145000
  8.8154E+00 -1.6404E+01 -3.0517E+00
  1.1318E+00  3.2112E+00 -2.9427E+00
 -1.8536E+03  2.5768E+03 -3.7548E+03
OH            3158    0.000000   -0.683000
  9.2103E+00 -1.7395E+01 -3.9740E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3159    1.008000    0.418000
  9.8137E+00 -1.7107E+01 -4.6422E+00
 -1.6601E+01 -1.6290E-01 -1.5850E+01
 -1.1709E+03  3.6920E+03  1.3938E+03
HC            3160    1.008000    0.040000
  8.0409E+00 -1.6730E+01 -2.3575E+00
 -5.8743E+00  1.8999E+01 -2.9124E+00
  3.2642E+03 -9.4862E+02  2.2209E+03
HC            3161    1.008000    0.040000
  8.1936E+00 -1.5652E+01 -3.5377E+00
 -4.6344E+00  1.0712E+01  1.5178E+01
  2.5766E+03  1.6337E+03 -6.2428E+02
HC            3162    1.008000    0.040000
  9.7355E+00 -1.6009E+01 -2.6208E+00
  2.7621E+00 -1.4461E+01  1.0951E+01
 -2.0661E+03  7.3109E+02  2.2766E+03
CT            3163   12.011000    0.145000
 -1.8288E+01  7.6259E+00 -1.4023E+01
  2.3044E-01  6.1744E+00  2.8028E+00
  3.1323E+02  5.7375E+03  3.8087E+03
OH            3164    0.000000   -0.683000
 -1.9612E+01  7.4604E+00 -1.3566E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3165    1.008000    0.418000
 -1.9827E+01  8.2176E+00 -1.3043E+01
  9.9422E+00  2.2068E+00  1.1023E+00
  1.8727E+03  1.0558E+03 -8.2657E+02
HC            3166    1.008000    0.040000
 -1.7761E+01  6.6923E+00 -1.4219E+01
 -8.3217E+00  1.2331E-01  7.9124E+00
 -8.0040E+02  1.6650E+02  1.4029E+02
HC            3167    1.008000    0.040000
 -1.7886E+01  8.1753E+00 -1.3172E+01
 -2.4793E+00  2.3077E+01 -6.3854E+00
  3.1258E+03 -1.5707E+03 -4.7138E+02
HC            3168    1.008000    0.040000
 -1.8243E+01  8.3470E+00 -1.4839E+01
 -2.9339E+01 -2.6541E+00 -7.9604E+00
 -4.9233E+02 -1.5962E+03 -4.1736E+02
CT            3169   12.011000    0.145000
  9.1012E+00  1.5615E+01  8.9771E+00
 -5.2791E-01 -3.9905E+00  2.2636E+00
 -1.1476E+03 -2.5204E+03  2.4910E+03
OH            3170    0.000000   -0.683000
  1.0071E+01  1.6024E+01  9.9156E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3171    1.008000    0.418000
  1.0140E+01  1.5371E+01  1.0595E+01
 -1.5423E+00 -8.7833E+00 -8.0811E+00
 -1.3163E+03 -1.5963E+03 -1.4714E+03
HC            3172    1.008000    0.040000
  9.6501E+00  1.5355E+01  8.0718E+00
 -1.5292E+01 -1.4715E+00 -7.7686E+00
 -2.7794E+03  1.2893E+03 -1.7350E+03
HC            3173    1.008000    0.040000
  8.4437E+00  1.6483E+01  8.9480E+00
  2.9351E+01  2.0342E+01  2.5872E+00
  5.1398E+02 -1.7152E+03 -3.3298E+03
HC            3174    1.008000    0.040000
  8.6496E+00  1.4695E+01  9.3493E+00
  3.3140E+00 -1.4662E+01 -1.7994E+01
 -9.1220E+02  5.2064E+01 -1.3342E+03
CT            3175   12.011000    0.145000
  5.5566E-01  2.0266E+01  4.3186E+00
 -3.4473E+00  3.0037E+00 -1.7029E+00
 -4.3342E+03  2.5635E+03  5.5650E+02
OH            3176    0.000000   -0.683000
  1.2304E+00 -1.9539E+01  4.8973E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3177    1.008000    0.418000
  5.9856E-01 -1.8903E+01  5.1958E+00
 -9.5552E+00 -1.2384E+01  7.1612E+00
 -1.6010E+03 -1.7995E+03 -9.7501E+01
HC            3178    1.008000    0.040000
 -4.4471E-01 -2.0327E+01  4.0127E+00
 -5.5630E-01  2.1728E+01  6.2126E+00
 -6.5292E+02  1.5596E+03  3.1625E+03
HC            3179    1.008000    0.040000
  4.6972E-01  1.9408E+01  4.9845E+00
  2.2005E+00 -2.1965E+01 -3.0903E+01
 -1.1938E+01  5.3324E+02 -1.5450E+03
HC            3180    1.008000    0.040000
  8.6013E-01  1.9927E+01  3.3285E+00
  2.7431E+01  1.4722E+01  2.6569E+00
  5.2729E+03  3.9987E+02  2.1700E+03
CT            3181   12.011000    0.145000
  1.8612E+01 -3.1684E+00 -7.9614E+00
 -1.7846E-01  9.8970E-01  1.3088E+00
 -1.3237E+02 -7.5183E+02 -3.6978E+03
OH            3182    0.000000   -0.683000
  1.9943E+01 -2.7296E+00 -8.1138E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3183    1.008000    0.418000
  2.0291E+01 -2.8648E+00 -7.2457E+00
  1.1863E+01 -2.5779E+01 -7.7736E+00
  7.9794E+02 -4.8588E+02 -1.2601E+03
HC            3184    1.008000    0.040000
  1.8698E+01 -4.2507E+00 -8.0586E+00
  1.0752E+00  8.1027E-01  4.3104E+00
 -2.2259E+03 -4.2341E+02  1.8884E+03
HC            3185    1.008000    0.040000
  1.8231E+01 -2.7093E+00 -8.8738E+00
 -4.6809E+00 -1.1846E+01 -3.5006E+00
 -4.5227E+03 -4.7965E+02  1.5721E+03
HC            3186    1.008000    0.040000
  1.8344E+01 -2.7473E+00 -6.9924E+00
 -1.2269E+01  1.6223E+01 -8.1717E+00
 -4.2362E+03 -4.5701E+02 -1.5980E+03
CT            3187   12.011000    0.145000
 -1.6738E+01 -2.3767E+00 -7.6604E+00
 -5.3377E-01  5.2734E-01  2.1364E+00
  1.4855E+03  3.3839E+02 -2.2444E+03
OH            3188    0.000000   -0.683000
 -1.5770E+01 -3.2908E+00 -7.1954E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3189    1.008000    0.418000
 -1.6129E+01 -3.8713E+00 -6.5418E+00
 -1.5632E+01  1.4333E-01 -7.9847E+00
 -1.8131E+03 -2.7606E+02 -1.4872E+03
HC            3190    1.008000    0.040000
 -1.7334E+01 -1.9553E+00 -6.8509E+00
 -3.6452E+01 -1.1567E+01 -1.5840E+01
 -2.6728E+03 -2.1197E+03 -2.5316E+03
HC            3191    1.008000    0.040000
 -1.7215E+01 -2.9435E+00 -8.4602E+00
  7.7542E+00 -7.2723E+00  2.5620E+00
 -4.9115E+03  3.3227E+02  3.0642E+03
HC            3192    1.008000    0.040000
 -1.6322E+01 -1.5577E+00 -8.2473E+00
  1.7933E+01 -9.1743E+00  9.3418E-01
  2.2264E+03 -3.3362E+02  1.2914E+03
CT            3193   12.011000    0.145000
 -1.2455E+01  2.8849E+00 -3.7678E+00
  1.5221E+00 -1.1725E+00 -8.1764E-01
  5.0948E+03 -9.0442E+02 -1.4949E+03
OH            3194    0.000000   -0.683000
 -1.2730E+01  3.4198E+00 -5.0429E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3195    1.008000    0.418000
 -1.3431E+01  4.0476E+00 -4.9509E+00
  1.2858E+01  1.5834E+01 -5.3430E+00
 -4.2666E+02 -1.2452E+03 -6.1853E+02
HC            3196    1.008000    0.040000
 -1.1420E+01  2.5416E+00 -3.7798E+00
 -1.7836E+00 -1.2879E+01 -2.8849E+01
 -1.1210E+03 -2.9701E+03 -2.1872E+03
HC            3197    1.008000    0.040000
 -1.3094E+01  2.0045E+00 -3.7030E+00
  2.2638E+01 -1.7510E+01 -3.3350E+00
  9.9580E+02  7.5046E+02  4.1642E+03
HC            3198    1.008000    0.040000
 -1.2373E+01  3.6298E+00 -2.9762E+00
 -8.1678E+00  2.2112E+01 -2.0445E+01
 -4.9912E+03  3.0022E+02 -9.1200E+02
CT            3199   12.011000    0.145000
 -8.8528E+00 -4.2990E+00  5.8569E+00
 -1.0333E-01 -2.3382E-01 -3.9614E-01
 -1.2712E+03 -2.2603E+03 -4.2451E+03
OH            3200    0.000000   -0.683000
 -9.8822E+00 -4.9866E+00  6.5319E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3201    1.008000    0.418000
 -9.6264E+00 -4.9273E+00  7.4397E+00
 -1.1513E+01  2.2044E+01  2.4926E+00
 -5.8747E+02  2.9114E+02 -4.9604E+02
HC            3202    1.008000    0.040000
 -8.6084E+00 -3.2583E+00  6.0698E+00
  2.4743E+01 -1.1736E+01  3.7615E+01
 -1.1120E+03 -2.4091E+03  4.3914E+03
HC            3203    1.008000    0.040000
 -9.0286E+00 -4.2547E+00  4.7821E+00
 -8.1768E+00  2.1353E+00  9.5448E-01
 -1.7944E+03 -2.0207E+03 -1.1179E+02
HC            3204    1.008000    0.040000
 -7.9465E+00 -4.8986E+00  5.9417E+00
  5.9953E+00  8.3146E+00 -3.6933E+00
  1.0242E+03  1.8087E+03  1.0031E+03
CT            3205   12.011000    0.145000
  8.9001E+00  7.3085E+00 -9.3670E+00
  6.9245E+00  1.2472E+00 -2.6989E+00
  1.4736E+02 -6.1219E+02 -7.2764E+02
OH            3206    0.000000   -0.683000
  9.2395E+00  5.9673E+00 -9.0951E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3207    1.008000    0.418000
  1.0160E+01  6.0725E+00 -8.9083E+00
  1.1165E+00 -1.4976E-01 -5.2599E+00
 -1.1649E+02 -4.9661E+03  2.6015E+03
HC            3208    1.008000    0.040000
  9.3252E+00  8.0153E+00 -8.6544E+00
 -8.5755E+00  8.4421E+00 -1.7194E-01
 -2.2777E+03 -6.7781E+02  1.6786E+03
HC            3209    1.008000    0.040000
  7.8104E+00  7.2930E+00 -9.3845E+00
  6.9735E+00  2.6003E+00 -1.0956E+01
  4.3197E+01  2.4569E+03  1.3502E+02
HC            3210    1.008000    0.040000
  9.2482E+00  7.6971E+00 -1.0324E+01
 -6.7828E+00  1.3719E+01 -2.9791E+00
 -8.2863E+02 -1.4587E+03 -5.4585E+02
CT            3211   12.011000    0.145000
 -1.1494E+01 -7.6429E+00  7.7503E+00
  8.5456E-01  2.5723E-01 -3.0209E-01
 -2.2788E+03 -1.8195E+03 -7.4970E+03
OH            3212    0.000000   -0.683000
 -1.1956E+01 -6.3236E+00  7.5678E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3213    1.008000    0.418000
 -1.1240E+01 -5.9423E+00  7.0837E+00
  1.6083E+01 -1.0698E+01  1.4190E+01
 -1.5037E+03  1.9854E+03  8.3958E+02
HC            3214    1.008000    0.040000
 -1.1387E+01 -7.9806E+00  6.7194E+00
  2.4043E+01  2.4052E+01 -6.8109E+00
  5.8718E+02  9.2713E+02  7.0648E+01
HC            3215    1.008000    0.040000
 -1.2173E+01 -8.4005E+00  8.1407E+00
  1.8808E+01 -1.1655E+01  9.2517E+00
 -7.5246E+01  2.2145E+03  2.7063E+03
HC            3216    1.008000    0.040000
 -1.0480E+01 -7.8122E+00  8.1140E+00
  7.3377E-01  2.1015E+01  1.1247E+01
 -8.6731E+02  2.8693E+03  2.0357E+03
CT            3217   12.011000    0.145000
  1.8569E+00  6.5193E+00 -1.8639E+01
  2.4872E+00 -1.4078E+00 -3.0865E+00
 -4.5886E+03  5.1229E+03  5.3758E+03
OH            3218    0.000000   -0.683000
  7.6084E-01  6.5395E+00 -1.9526E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3219    1.008000    0.418000
  2.2960E-01  5.7642E+00 -1.9427E+01
 -5.1085E+00  4.5281E+00  9.4859E+00
  9.8133E+02 -3.2688E+02  1.6034E+03
HC            3220    1.008000    0.040000
  1.4204E+00  6.6022E+00 -1.7644E+01
  1.7737E+00 -1.2925E+01 -2.3056E+00
 -7.5485E+02 -8.0887E+02  3.1131E+02
HC            3221    1.008000    0.040000
  2.3223E+00  7.5050E+00 -1.8645E+01
 -3.2084E+00  1.9250E+00  1.8510E+01
  2.9237E+03 -1.9722E+03 -1.3589E+03
HC            3222    1.008000    0.040000
  2.4823E+00  5.6334E+00 -1.8529E+01
 -1.3845E+01 -1.4656E+01 -1.2125E+01
  2.9485E+02  8.5996E+02 -4.2094E+03
CT            3223   12.011000    0.145000
  1.0769E+00 -1.4760E+01 -7.0361E+00
  2.0598E+00  1.1786E+00  3.3190E+00
  1.2655E+03 -9.3410E+02 -7.4390E+02
OH            3224    0.000000   -0.683000
  7.2540E-01 -1.5966E+01 -6.3948E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3225    1.008000    0.418000
  1.1683E+00 -1.6671E+01 -6.8405E+00
 -1.8285E+01  1.8571E-01 -2.0128E+01
 -1.5346E+02  1.6136E+03 -1.2744E+03
HC            3226    1.008000    0.040000
  9.8751E-01 -1.5069E+01 -8.0776E+00
  7.5056E-01 -2.7472E+01  1.1079E+01
 -6.8294E+02  3.5806E+03  1.9256E+02
HC            3227    1.008000    0.040000
  2.0666E+00 -1.4348E+01 -6.8390E+00
 -8.4149E+00  3.2345E+01 -3.5031E+00
  6.2250E+01 -2.2171E+03 -2.2708E+03
HC            3228    1.008000    0.040000
  4.5819E-01 -1.3945E+01 -6.6608E+00
 -2.7783E+00  3.4439E-01 -2.6850E+00
 -1.7407E+03 -2.6516E+02 -2.6542E+03
CT            3229   12.011000    0.145000
  4.6922E+00 -8.4477E+00  1.9056E+01
  3.8335E-02 -3.4464E+00  3.9850E+00
  2.2551E+03  1.6304E+02  2.9302E+03
OH            3230    0.000000   -0.683000
  5.7130E+00 -9.1750E+00  1.8410E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3231    1.008000    0.418000
  5.8082E+00 -1.0020E+01  1.8822E+01
  2.1738E+01 -1.4701E+00 -6.7810E+00
  1.8601E+03  1.6196E+03  1.8230E+03
HC            3232    1.008000    0.040000
  3.9700E+00 -9.1932E+00  1.9389E+01
  5.8369E+00 -1.1488E+01 -1.0739E+00
 -1.3256E+03  1.4119E+03 -5.0735E+02
HC            3233    1.008000    0.040000
  4.2332E+00 -7.6492E+00  1.8473E+01
 -3.1567E+00 -2.0976E+01 -1.8958E+01
  2.8923E+02 -1.8181E+03 -1.3289E+03
HC            3234    1.008000    0.040000
  5.1117E+00 -7.9765E+00  1.9945E+01
 -8.7905E+00 -7.5275E+00  1.0470E+01
 -1.3006E+02 -4.7855E+02  5.3173E+02
CT            3235   12.011000    0.145000
  1.5108E+01 -1.5152E+01 -1.8513E+01
  1.5278E-01 -2.5638E+00 -2.5594E+00
 -1.2323E+03  1.0878E+03  1.8617E+02
OH            3236    0.000000   -0.683000
  1.4338E+01 -1.6006E+01 -1.7698E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3237    1.008000    0.418000
  1.4225E+01 -1.5624E+01 -1.6841E+01
 -1.3273E+01  4.7089E+00 -3.5954E+00
  1.5675E+03 -1.0283E+03  2.8275E+02
HC            3238    1.008000    0.040000
  1.4756E+01 -1.5183E+01 -1.9544E+01
  2.3859E+01 -1.9309E+01 -1.1048E+01
  1.5910E+03 -1.8580E+03  1.2310E+02
HC            3239    1.008000    0.040000
  1.6180E+01 -1.5346E+01 -1.8469E+01
  5.8710E+00  2.4861E+01 -3.0733E+00
 -1.1616E+03 -1.1856E+03 -1.7129E+03
HC            3240    1.008000    0.040000
  1.5049E+01 -1.4098E+01 -1.8240E+01
 -1.5561E+01 -5.5196E+00  6.6916E+00
 -1.4034E+03 -6.5831E+02  1.9119E+03
CT            3241   12.011000    0.145000
  2.1939E+00  6.0735E-01 -1.8225E+01
  2.5819E+00 -3.3648E+00  1.1702E+00
  1.2057E+03 -1.4211E+03 -8.5941E+03
OH            3242    0.000000   -0.683000
  3.3121E+00  1.4661E+00 -1.8240E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3243    1.008000    0.418000
  3.6090E+00  1.2233E+00 -1.7376E+01
 -4.6072E+00 -8.9298E+00 -8.0828E-01
  5.6316E+03  2.1329E+03 -1.7470E+03
HC            3244    1.008000    0.040000
  2.5050E+00 -3.2865E-01 -1.7761E+01
 -1.9494E+01 -8.4757E+00  6.8372E+00
 -4.2547E+03  1.5198E+02  2.4080E+03
HC            3245    1.008000    0.040000
  2.1310E+00  3.9518E-01 -1.9292E+01
  1.0639E+01  1.6991E+00 -3.9856E-01
 -2.8330E+03 -5.4549E+02 -2.5956E+02
HC            3246    1.008000    0.040000
  1.3024E+00  1.1343E+00 -1.7885E+01
 -1.0266E+00 -9.9225E+00  2.0383E+00
 -3.2259E+02 -2.5944E+03  1.9903E+03
CT            3247   12.011000    0.145000
  1.9436E+01  1.1462E+01  7.1239E+00
  2.9652E+00  2.2292E+00 -7.5728E-01
  1.9917E+03 -6.5012E+02 -2.9930E+03
OH            3248    0.000000   -0.683000
  1.8607E+01  1.2293E+01  6.3425E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3249    1.008000    0.418000
  1.7937E+01  1.1753E+01  5.9508E+00
 -3.5882E+00  2.1253E+01 -2.6050E+01
 -1.1318E+03  2.7089E+03  7.6918E+02
HC            3250    1.008000    0.040000
  2.0212E+01  1.2211E+01  7.2778E+00
  1.7932E+00  2.5222E+00  3.8804E+00
  3.1731E+03 -3.8334E+03  2.6481E+03
HC            3251    1.008000    0.040000
  1.9633E+01  1.0583E+01  6.5104E+00
 -1.5028E+01 -8.0202E+00  7.3337E+00
  2.8710E+03  2.2928E+03 -1.3549E+03
HC            3252    1.008000    0.040000
  1.9137E+01  1.0938E+01  8.0320E+00
 -4.2400E+00  2.2517E+01  9.1858E+00
 -3.0084E+03  4.7119E+03  1.3464E+03
CT            3253   12.011000    0.145000
 -1.8572E+01  1.1349E+01  1.4147E+01
  1.5912E+00 -5.6022E-01  3.8820E+00
  3.0904E+02 -2.0869E+02  5.1660E+02
OH            3254    0.000000   -0.683000
 -1.7544E+01  1.0550E+01  1.3606E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3255    1.008000    0.418000
 -1.6796E+01  1.1123E+01  1.3527E+01
 -7.1679E+00  7.4884E+00 -1.9996E+01
  1.6375E+02 -1.1875E+03  1.0388E+03
HC            3256    1.008000    0.040000
 -1.9454E+01  1.0714E+01  1.4065E+01
  2.8838E+00 -7.0934E-01 -1.1837E+01
 -1.1971E+03  2.0839E+03  8.8577E+02
HC            3257    1.008000    0.040000
 -1.8668E+01  1.2262E+01  1.3559E+01
 -9.3760E+00  6.6442E+00  1.6312E+01
 -1.5323E+03 -7.8181E+01  6.1233E+02
HC            3258    1.008000    0.040000
 -1.8361E+01  1.1549E+01  1.5198E+01
 -2.1772E+01 -3.5225E+01  1.7001E+01
 -2.3431E+03 -6.8753E+01 -1.1698E+03
CT            3259   12.011000    0.145000
  5.7800E+00 -6.6972E+00  7.0146E+00
  2.9514E-01  7.5213E+00 -4.4555E+00
  1.4178E+03 -7.7193E+02  1.8932E+03
OH            3260    0.000000   -0.683000
  5.3156E+00 -6.0127E+00  8.1565E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3261    1.008000    0.418000
  4.4007E+00 -6.2138E+00  8.0317E+00
  6.8593E+00 -1.8889E+01 -3.0584E+01
  1.0293E+03  3.2547E+03  2.3859E+03
HC            3262    1.008000    0.040000
  5.4815E+00 -7.7455E+00  7.0279E+00
 -2.2430E+01  1.1387E+01 -4.5159E+01
  1.4764E+03  1.6659E+03 -3.6919E+02
HC            3263    1.008000    0.040000
  6.8519E+00 -6.5237E+00  7.1097E+00
  8.0293E-01  3.3268E+00 -2.2875E+00
  5.5368E+02 -1.1003E+03 -3.5515E+03
HC            3264    1.008000    0.040000
  5.4133E+00 -6.3408E+00  6.0520E+00
  1.5697E+01  1.0281E+01 -9.5823E+00
  3.7909E+02  3.9613E+02  5.0055E+02
CT            3265   12.011000    0.145000
  7.1706E+00 -1.1928E+00 -1.4524E+01
  2.5319E-01 -3.0120E-01 -1.4873E+00
  8.2749E+01 -3.6490E+02  8.7548E+02
OH            3266    0.000000   -0.683000
  8.4825E+00 -6.9073E-01 -1.4401E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3267    1.008000    0.418000
  8.4004E+00  2.4236E-01 -1.4276E+01
 -1.5493E+01 -6.9138E-01 -3.0038E+00
 -1.7344E+03 -4.0613E+02  6.3240E+02
HC            3268    1.008000    0.040000
  6.7385E+00 -7.9944E-01 -1.3604E+01
  9.3303E+00 -4.3940E+00  4.6750E+00
 -3.1684E+03 -1.2932E+03 -1.1939E+03
HC            3269    1.008000    0.040000
  7.2103E+00 -2.2821E+00 -1.4515E+01
 -2.6956E+01 -1.9640E+00  5.9572E+00
 -1.4111E+03  5.1167E+02  6.7029E+02
HC            3270    1.008000    0.040000
  6.7660E+00 -7.6463E-01 -1.5441E+01
  4.3691E+00  2.3382E+01  7.0445E+00
 -8.2157E+02  2.7182E+02  1.2402E+03
CT            3271   12.011000    0.145000
  2.0117E+00  1.6398E+01 -1.1717E+01
 -1.0117E+00  7.8108E+00 -1.2393E+00
 -1.1583E+03 -3.6787E+03 -5.5072E+02
OH            3272    0.000000   -0.683000
  2.4241E+00  1.6231E+01 -1.3055E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3273    1.008000    0.418000
  1.6967E+00  1.5961E+01 -1.3594E+01
 -6.2610E+00 -1.6303E+01  1.5572E+01
  8.5063E+02 -1.1697E+02 -3.3604E+01
HC            3274    1.008000    0.040000
  1.7421E+00  1.5439E+01 -1.1275E+01
 -7.1108E-02  4.8657E+00 -6.9617E+00
 -1.4334E+03 -5.0325E+02 -1.3353E+03
HC            3275    1.008000    0.040000
  1.1149E+00  1.7014E+01 -1.1651E+01
 -1.0169E+01 -6.0565E+00  9.7176E+00
  1.4931E+03  1.0580E+03  1.6094E+03
HC            3276    1.008000    0.040000
  2.8323E+00  1.6691E+01 -1.1062E+01
 -8.9907E+00  2.1599E+01  2.9992E+00
 -1.1056E+03  3.0306E+03 -4.1308E+02
CT            3277   12.011000    0.145000
 -1.7154E+01  1.9233E+01  1.8924E+01
  2.1788E-01  5.7011E+00  4.7816E+00
  5.9817E+03  6.4720E+03 -1.5394E+03
OH            3278    0.000000   -0.683000
 -1.8047E+01  1.9948E+01  1.8101E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3279    1.008000    0.418000
 -1.8652E+01  2.0437E+01  1.8637E+01
 -1.5173E+01 -4.6635E+00 -1.2113E+01
 -1.2896E+02 -3.6769E+02 -4.8918E+02
HC            3280    1.008000    0.040000
 -1.7634E+01  1.8555E+01  1.9630E+01
 -6.9353E+00  1.2832E+01  6.9166E+00
  9.6500E+02 -1.0869E+03 -1.6516E+03
HC            3281    1.008000    0.040000
 -1.6640E+01  2.0050E+01  1.9430E+01
 -8.7731E+00  9.5744E+00  7.8737E+00
 -2.2622E+02 -1.2781E+03  3.3614E+03
HC            3282    1.008000    0.040000
 -1.6403E+01  1.8906E+01  1.8205E+01
 -9.9538E+00  6.1190E+00 -6.3396E+00
 -6.4559E+02 -5.0363E+03  1.6877E+03
CT            3283   12.011000    0.145000
  6.3962E+00  1.8227E+01  1.5194E+01
  1.3199E+00 -1.4540E-01 -2.8715E-01
 -2.8275E+03  7.2456E+02 -3.7628E+03
OH            3284    0.000000   -0.683000
  6.2114E+00  1.6836E+01  1.5055E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3285    1.008000    0.418000
  5.9468E+00  1.6523E+01  1.5906E+01
 -1.3097E+01  2.9498E+01  8.0705E+00
 -3.6500E+02  1.4249E+03 -7.1336E+02
HC            3286    1.008000    0.040000
  7.2955E+00  1.8510E+01  1.5741E+01
  5.7866E+00  3.4002E+00 -9.2588E+00
 -1.9145E+03  8.0518E+01  1.9884E+03
HC            3287    1.008000    0.040000
  5.4305E+00  1.8696E+01  1.5383E+01
 -1.4061E+01 -2.3740E+01 -1.4996E+01
  1.3952E+03 -1.3123E+03  4.4245E+03
HC            3288    1.008000    0.040000
  6.5506E+00  1.8724E+01  1.4236E+01
  1.1874E+01 -1.6493E+01 -7.5067E+00
  1.2111E+03 -2.8894E+03 -1.4318E+03
CT            3289   12.011000    0.145000
 -1.8579E+01  1.8689E+01 -1.8335E+01
 -5.0535E+00  7.5118E+00 -8.4831E-01
 -6.5465E+02 -1.4689E+03 -1.7313E+03
OH            3290    0.000000   -0.683000
 -1.9706E+01  1.7970E+01 -1.7888E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3291    1.008000    0.418000
 -2.0205E+01  1.8530E+01 -1.7313E+01
  1.9034E+01  7.7383E+00  9.8896E+00
  4.0986E+02 -6.9716E+01 -4.7177E+02
HC            3292    1.008000    0.040000
 -1.8862E+01  1.9670E+01 -1.8717E+01
  7.5068E+00  1.4746E+01  7.6683E+00
  1.9048E+03  1.2661E+03  2.2002E+03
HC            3293    1.008000    0.040000
 -1.8157E+01  1.8168E+01 -1.9195E+01
 -6.8207E+00 -1.4050E+01  1.0663E+01
 -4.7437E+02 -1.7056E+03  1.0941E+03
HC            3294    1.008000    0.040000
 -1.7764E+01  1.8604E+01 -1.7616E+01
 -4.1038E+00 -2.8117E+01 -4.3472E+00
 -1.8888E+03  2.2940E+03 -9.4878E+01
CT            3295   12.011000    0.145000
  5.8128E-01 -6.1442E+00 -1.2913E+01
  3.6981E+00 -3.6941E+00 -2.7561E+00
  4.3125E+03  1.3079E+03  8.3887E+02
OH            3296    0.000000   -0.683000
  6.7669E-01 -6.9165E+00 -1.1737E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3297    1.008000    0.418000
 -1.9013E-01 -6.8094E+00 -1.1377E+01
  5.6797E+00 -6.5304E+00  1.6551E+01
  1.1960E+03 -1.4990E+03  3.0092E+03
HC            3298    1.008000    0.040000
  2.3864E-01 -6.6569E+00 -1.3812E+01
 -1.2437E+01 -2.8772E+01  1.6308E+01
  2.1718E+02 -2.0227E+03  2.3284E+03
HC            3299    1.008000    0.040000
  1.6041E+00 -5.7931E+00 -1.3050E+01
  2.3357E+00 -3.5092E+00 -1.3274E+01
 -3.6589E+02  1.3289E+03 -1.9879E+03
HC            3300    1.008000    0.040000
 -6.3420E-02 -5.2704E+00 -1.2819E+01
  2.0558E+01  1.0613E+01 -1.3617E+01
  1.4862E+03  1.8318E+02  9.7599E+02
CT            3301   12.011000    0.145000
  1.6705E+01 -1.9673E+00  4.1132E+00
  7.7925E-01 -3.1051E+00 -1.5099E+00
 -1.3293E+03  4.6168E+03  2.1083E+03
OH            3302    0.000000   -0.683000
  1.5360E+01 -2.3680E+00  4.2516E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3303    1.008000    0.418000
  1.5362E+01 -3.0196E+00  4.9360E+00
  2.7823E+01 -2.2078E+01 -1.8752E+01
  3.7939E+02  1.4315E+03 -1.0333E+03
HC            3304    1.008000    0.040000
  1.7366E+01 -2.3876E+00  4.8708E+00
  1.7313E+01 -1.2843E+01 -2.0389E+01
  3.9717E+02 -2.6724E+03 -2.5039E+03
HC            3305    1.008000    0.040000
  1.6790E+01 -8.9553E-01  4.2925E+00
 -2.4745E+01 -9.7020E-01  1.6105E+00
 -1.7214E+03  2.2502E+02 -1.0491E+03
HC            3306    1.008000    0.040000
  1.6983E+01 -2.1693E+00  3.0789E+00
  1.5782E+01 -1.6822E+01  4.7673E+00
  2.6849E+03 -1.2090E+03  1.4277E+03
CT            3307   12.011000    0.145000
  1.6356E+01  9.4094E+00 -1.4189E+01
 -1.2758E+00 -3.2938E+00 -1.3689E+00
 -6.8094E+02  5.8881E+02  3.2030E+02
OH            3308    0.000000   -0.683000
  1.6060E+01  1.0038E+01 -1.5416E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3309    1.008000    0.418000
  1.6373E+01  1.0928E+01 -1.5365E+01
 -1.0776E+01  3.2300E+00  2.3147E+01
  9.5971E+02 -1.1258E+03  6.2709E+02
HC            3310    1.008000    0.040000
  1.6311E+01  8.3203E+00 -1.4192E+01
  3.2353E+01 -5.7275E+00  1.9272E-01
 -1.3265E+02  1.1545E+03 -2.0172E+03
HC            3311    1.008000    0.040000
  1.5799E+01  9.7027E+00 -1.3299E+01
 -5.0635E+00 -2.1884E-01 -4.7131E+00
 -4.8803E+03  1.7874E+03 -3.5307E+03
HC            3312    1.008000    0.040000
  1.7261E+01  9.6803E+00 -1.3646E+01
  1.3075E+00  3.0379E+01 -1.9754E+01
  2.7856E+03  6.8022E+02 -6.8345E+03
CT            3313   12.011000    0.145000
 -3.6644E+00  4.4092E+00  9.0012E+00
  1.5030E-01  4.7725E+00 -3.9663E+00
 -2.2613E+02 -2.3230E+03  1.2117E+03
OH            3314    0.000000   -0.683000
 -2.8666E+00  3.6466E+00  8.1236E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3315    1.008000    0.418000
 -2.6034E+00  2.9482E+00  8.7032E+00
 -2.3673E+01 -7.6258E+00  2.6398E+00
  9.5529E+00 -1.6218E+03 -3.0595E+03
HC            3316    1.008000    0.040000
 -3.2871E+00  4.5068E+00  1.0019E+01
 -1.3028E+01 -8.3134E+00  2.5541E+00
  2.6443E+03  2.4172E+02 -1.5327E+03
HC            3317    1.008000    0.040000
 -4.5142E+00  3.7734E+00  9.2494E+00
  2.7246E+00 -6.4403E-01 -8.7869E+00
 -2.0896E+03  1.9377E+03 -1.9809E+03
HC            3318    1.008000    0.040000
 -3.9781E+00  5.3997E+00  8.6719E+00
 -3.7598E+01 -5.7484E-01  1.0835E+01
 -2.9564E+03 -2.9531E+03 -1.4182E+03
CT            3319   12.011000    0.145000
  1.8359E-01 -1.9255E+01  1.9275E+01
 -5.6760E-01  1.2599E+00 -3.2206E+00
  7.3955E+02  9.4572E+01  6.6134E+03
OH            3320    0.000000   -0.683000
 -1.2060E+00 -1.9395E+01  1.9469E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3321    1.008000    0.418000
 -1.4053E+00 -1.9191E+01  2.0370E+01
  7.6305E+00 -2.8687E+01  9.2569E+00
  1.4728E+03 -1.7335E+03 -1.0853E+02
HC            3322    1.008000    0.040000
  4.4958E-01 -1.8396E+01  1.9892E+01
 -1.3494E+01 -1.0281E+01  1.9779E+01
  8.0876E+02 -4.1478E+02 -7.7123E+02
HC            3323    1.008000    0.040000
  6.6287E-01 -1.9232E+01  1.8296E+01
 -1.0405E+01 -1.0539E+01 -8.5848E+00
 -3.3620E+03 -5.8545E+02 -1.0345E+03
HC            3324    1.008000    0.040000
  5.6802E-01 -2.0123E+01  1.9811E+01
  1.9694E+00  5.1320E+00  1.3030E+00
  2.0588E+03  5.2816E+02 -1.0015E+02
CT            3325   12.011000    0.145000
 -5.7648E+00 -2.0009E+01  1.7494E+01
  2.3442E+00  4.0138E+00  8.4199E-01
 -1.7330E+02  1.6059E+03 -2.7713E+03
OH            3326    0.000000   -0.683000
 -6.9773E+00 -1.9380E+01  1.7842E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3327    1.008000    0.418000
 -6.8583E+00 -1.8881E+01  1.8636E+01
  7.9318E-01  1.2806E+00 -9.1914E-01
 -1.7016E+02  1.6379E+03 -1.0020E+03
HC            3328    1.008000    0.040000
 -6.0638E+00  1.9857E+01  1.7323E+01
  1.4411E+01 -2.1499E+00  1.4842E+01
  2.5717E+03 -5.5849E+02  6.5131E+02
HC            3329    1.008000    0.040000
 -4.9330E+00 -2.0002E+01  1.8198E+01
  1.9376E+00 -3.6584E+01  4.1038E+00
 -2.5997E+03 -6.1418E+02  6.2622E+02
HC            3330    1.008000    0.040000
 -5.4327E+00 -1.9651E+01  1.6519E+01
 -6.8966E+00 -2.1012E+01 -1.2416E+01
 -5.6832E+02 -6.3375E+02  1.3643E+02
CT            3331   12.011000    0.145000
 -5.2507E+00  7.7687E-01 -1.5452E+00
 -4.0394E+00 -8.6090E-01  6.4799E+00
 -1.4823E+02 -1.0665E+03  3.1460E+03
OH            3332    0.000000   -0.683000
 -4.5156E+00  1.8263E+00 -9.5668E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3333    1.008000    0.418000
 -5.0871E+00  2.5782E+00 -9.9109E-01
 -1.5224E+01 -9.2997E+00  2.3850E+01
  2.0780E+03  8.6909E+01 -6.8346E+02
HC            3334    1.008000    0.040000
 -4.7318E+00 -1.8056E-01 -1.4978E+00
  5.6964E+00  3.8075E+00 -1.8547E+00
  1.9313E+03  1.0500E+03  3.8882E+01
HC            3335    1.008000    0.040000
 -5.5184E+00  8.9406E-01 -2.5953E+00
 -1.2846E+01 -4.5759E+00  8.2204E+00
  1.8102E+03  2.3051E+03  2.6939E+02
HC            3336    1.008000    0.040000
 -6.2346E+00  6.1738E-01 -1.1043E+00
 -2.3345E+01  4.1449E+01 -1.5314E+01
  1.7143E+03  3.4640E+03  3.4760E+02
CT            3337   12.011000    0.145000
  1.3180E+01  1.3662E+01 -7.0774E+00
 -6.8635E-01  1.0580E+00  2.5826E+00
 -2.0410E+03  1.1711E+03 -5.8773E+02
OH            3338    0.000000   -0.683000
  1.3895E+01  1.4841E+01 -7.3736E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3339    1.008000    0.418000
  1.4222E+01  1.4921E+01 -8.2563E+00
 -5.5961E+00  1.9868E+01 -7.5856E-01
 -3.2549E+03 -7.2167E+02 -7.8071E+02
HC            3340    1.008000    0.040000
  1.3719E+01  1.2743E+01 -7.3061E+00
 -1.3264E+00  6.5584E+00 -2.4338E+01
  4.2004E+02  1.5465E+03 -2.2576E+03
HC            3341    1.008000    0.040000
  1.2163E+01  1.3628E+01 -7.4683E+00
 -1.3063E+01  4.4209E+00  3.1864E+01
  2.5136E+03  8.2656E+02 -3.1353E+03
HC            3342    1.008000    0.040000
  1.2823E+01  1.3612E+01 -6.0486E+00
 -4.2400E+00  3.1402E+01  3.7421E+00
  2.3261E+03  2.0884E+03  1.7968E+02
CT            3343   12.011000    0.145000
  9.5281E+00 -9.2066E+00 -1.6034E+01
  5.9294E-01 -5.7446E-01  6.9510E-01
  1.9346E+03  8.4629E+02  2.5468E+02
OH            3344    0.000000   -0.683000
  9.0476E+00 -8.4145E+00 -1.4971E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3345    1.008000    0.418000
  8.8887E+00 -7.5298E+00 -1.5263E+01
 -1.3490E+01  3.5748E+00  1.6569E+01
 -5.2364E+02  2.2143E+02  2.0371E+03
HC            3346    1.008000    0.040000
  8.6978E+00 -9.6940E+00 -1.6545E+01
 -7.3086E+00  9.1671E+00  3.9148E+00
  2.2589E+02  5.6573E+02 -2.4875E+02
HC            3347    1.008000    0.040000
  1.0252E+01 -9.9507E+00 -1.5703E+01
 -9.5787E+00 -1.1672E+01 -1.2968E+00
 -1.5863E+03 -8.5695E+02  1.3321E+03
HC            3348    1.008000    0.040000
  1.0099E+01 -8.5892E+00 -1.6728E+01
 -5.7985E+00  1.1340E+01  5.7405E+00
 -1.4425E+03  1.3272E+03 -1.1197E+01
CT            3349   12.011000    0.145000
 -5.0846E+00 -1.8083E+01 -1.5723E+01
 -3.0585E+00 -5.1385E+00 -1.4750E+00
  1.6545E+03  4.6501E+03  5.7512E+02
OH            3350    0.000000   -0.683000
 -4.6611E+00 -1.7944E+01 -1.7061E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3351    1.008000    0.418000
 -4.0638E+00 -1.7212E+01 -1.7041E+01
 -2.9660E+00  2.4423E+00 -6.0910E-02
  4.8340E+02 -4.0016E+02 -1.2061E+03
HC            3352    1.008000    0.040000
 -5.8782E+00 -1.8820E+01 -1.5603E+01
 -5.8991E+00 -5.3009E+00 -1.8692E+01
  1.4939E+03 -4.6880E+02  6.5296E+02
HC            3353    1.008000    0.040000
 -5.4444E+00 -1.7106E+01 -1.5400E+01
 -2.2079E+00 -1.3518E+00 -1.1610E+01
 -1.5192E+03 -1.3093E+01 -8.8831E+02
HC            3354    1.008000    0.040000
 -4.2201E+00 -1.8154E+01 -1.5063E+01
 -2.3211E+00 -1.5249E+01 -3.3721E+00
 -1.2715E+02 -3.3623E+03  1.5202E+01
CT            3355   12.011000    0.145000
  3.2220E+00  1.8635E+01  5.9624E+00
 -1.6467E+00  9.8113E-01  1.4991E+00
 -6.1776E+02  8.3674E+02  1.9205E+03
OH            3356    0.000000   -0.683000
  3.6257E+00  1.9924E+01  5.5583E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3357    1.008000    0.418000
  2.8679E+00 -2.0419E+01  5.4669E+00
  1.5355E+00  2.8264E+00  4.1944E+00
 -8.4036E+02 -1.5263E+03 -1.4154E+03
HC            3358    1.008000    0.040000
  3.1445E+00  1.7948E+01  5.1197E+00
 -1.8116E+01 -1.0501E+01  1.1769E+01
 -7.6395E+02 -2.0019E+02  9.4932E+02
HC            3359    1.008000    0.040000
  2.3160E+00  1.8563E+01  6.5641E+00
 -1.4026E+01 -1.0933E+00 -1.6584E+01
 -1.5780E+03  1.7001E+03 -2.3821E+03
HC            3360    1.008000    0.040000
  3.9704E+00  1.8288E+01  6.6750E+00
  1.4373E+01  1.3066E+01 -8.7369E+00
 -3.0899E+00 -6.7897E+02 -9.5933E+02
CT            3361   12.011000    0.145000
  1.8504E+01 -1.7526E+00 -1.6504E+01
 -2.2443E+00 -6.3654E-01  1.7430E+00
  9.3334E+02 -3.3283E+03 -1.3058E+03
OH            3362    0.000000   -0.683000
  1.9398E+01 -1.9564E+00 -1.5432E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3363    1.008000    0.418000
  2.0089E+01 -2.5669E+00 -1.5637E+01
  1.7303E+00  6.1338E+00 -1.3544E+01
 -6.1986E+02  5.3464E+02 -3.4130E+03
HC            3364    1.008000    0.040000
  1.9091E+01 -1.3345E+00 -1.7321E+01
  1.4792E+01 -1.0578E+01  8.3645E+00
 -9.6169E+02 -3.0885E+02 -2.4557E+02
HC            3365    1.008000    0.040000
  1.7633E+01 -1.1478E+00 -1.6252E+01
  5.0357E+00  3.7716E+00  1.7641E+01
  1.6953E+03  1.2111E+03  1.1665E+03
HC            3366    1.008000    0.040000
  1.8128E+01 -2.7258E+00 -1.6819E+01
  2.9728E+01 -1.2793E+01 -2.6610E+00
  1.7579E+03  2.5387E+02 -5.6079E+02
CT            3367   12.011000    0.145000
  1.8170E+01  1.3363E+01  1.6281E+00
  1.2850E+00 -4.1825E+00 -4.8962E-01
  1.9462E+03  5.8102E+03 -4.6180E+03
OH            3368    0.000000   -0.683000
  1.7061E+01  1.3125E+01  7.9126E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3369    1.008000    0.418000
  1.7233E+01  1.2216E+01  6.0083E-01
  9.5355E+00 -8.9853E+00  4.1565E+01
 -1.5459E+03  1.1775E+03  1.9438E+03
HC            3370    1.008000    0.040000
  1.8976E+01  1.2803E+01  1.1540E+00
 -2.0954E+00 -6.7179E+00 -3.2886E+00
  1.1648E+03 -8.0157E+02  3.0349E+03
HC            3371    1.008000    0.040000
  1.8074E+01  1.3278E+01  2.7105E+00
 -5.0658E+00 -2.1030E+00 -8.5152E-01
 -7.0950E+02 -2.6419E+03 -7.7720E+02
HC            3372    1.008000    0.040000
  1.8419E+01  1.4400E+01  1.4033E+00
 -1.0883E+00 -7.7348E+00 -2.1559E+01
  1.8623E+02  2.3052E+02  1.0773E+03
CT            3373   12.011000    0.145000
  1.9460E+01  2.7964E+00 -1.0698E+01
  5.2437E-01 -5.8130E+00 -9.3582E-01
 -5.2674E+02 -3.0713E+03  6.3160E+02
OH            3374    0.000000   -0.683000
  2.0429E+01  2.7253E+00 -9.6764E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3375    1.008000    0.418000
  2.0130E+01  3.2857E+00 -8.9769E+00
  1.1152E+01  1.9337E+01 -9.8634E+00
 -2.0126E+02 -6.5889E+01 -8.6540E+02
HC            3376    1.008000    0.040000
  1.8559E+01  2.2920E+00 -1.0349E+01
  2.5933E+00 -1.4923E+01 -8.3553E+00
 -1.0125E+03  2.2946E+03  4.6345E+02
HC            3377    1.008000    0.040000
  1.9723E+01  2.1715E+00 -1.1552E+01
  2.9307E-01 -9.9829E+00  2.0151E+00
  1.5610E+03  1.6494E+03 -7.5271E+02
HC            3378    1.008000    0.040000
  1.9340E+01  3.8493E+00 -1.0953E+01
  1.3549E+01 -4.6173E+00 -2.8226E+00
 -1.1919E+03 -8.4089E+02 -8.8521E+02
CT            3379   12.011000    0.145000
 -3.3604E-01  1.4051E+01  1.3983E+01
  6.9694E+00 -1.3709E+00 -1.4721E+00
  2.8923E+03 -8.6144E+02  3.1002E+03
OH            3380    0.000000   -0.683000
 -6.0513E-01  1.2668E+01  1.4033E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3381    1.008000    0.418000
  1.4099E-01  1.2189E+01  1.4360E+01
 -6.8288E+00 -6.6272E+00  6.2716E+00
  1.3519E+02  2.5468E+02 -3.9991E+02
HC            3382    1.008000    0.040000
 -2.3496E-01  1.4486E+01  1.4977E+01
 -2.1805E+00  3.3687E+00 -2.5093E+00
  1.7642E+03 -2.2240E+03  8.2506E+02
HC            3383    1.008000    0.040000
 -1.0568E+00  1.4787E+01  1.3627E+01
  9.9077E+00 -9.9972E-01 -6.7627E+00
 -2.3123E+03 -3.9987E+03 -2.4844E+03
HC            3384    1.008000    0.040000
  5.7390E-01  1.4243E+01  1.3414E+01
 -2.3132E+00  1.0070E+01 -1.3076E+01
 -3.3071E+02  3.6120E+02  2.2984E+01
CT            3385   12.011000    0.145000
  1.0379E+01 -1.3494E+01 -8.8717E+00
  7.0204E-02  1.7869E-02  2.4684E-01
  4.0719E+03 -9.8981E+02 -5.0146E+03
OH            3386    0.000000   -0.683000
  1.0222E+01 -1.4888E+01 -8.7265E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3387    1.008000    0.418000
  9.3625E+00 -1.4899E+01 -8.3339E+00
  4.4538E+00 -1.0041E+01  1.0037E+01
 -1.4280E+03 -6.1817E+03 -3.9928E+03
HC            3388    1.008000    0.040000
  9.6922E+00 -1.3109E+01 -9.6255E+00
 -7.5599E+00 -9.7537E-01  6.5604E+00
 -3.8050E+02 -2.3667E+02  2.4158E+02
HC            3389    1.008000    0.040000
  1.1421E+01 -1.3366E+01 -9.1657E+00
  1.6293E+01 -2.3412E+01  3.9524E+01
 -1.4233E+03  9.4502E+02  1.5592E+03
HC            3390    1.008000    0.040000
  1.0192E+01 -1.2911E+01 -7.9698E+00
  6.4974E+00  1.0815E+01 -5.1893E+00
  1.4626E+03 -4.1613E+02 -1.7550E+02
CT            3391   12.011000    0.145000
 -1.2665E+01 -1.7508E+01 -1.8937E+01
  1.8662E-01  1.0989E+00  1.3705E+00
  3.2255E+02  1.5420E+03  1.4423E+03
OH            3392    0.000000   -0.683000
 -1.3966E+01 -1.7013E+01 -1.9159E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3393    1.008000    0.418000
 -1.4625E+01 -1.7625E+01 -1.8869E+01
 -4.7091E+00  1.4177E+01  2.1573E+01
  1.9412E+03 -6.8772E+01  2.3777E+03
HC            3394    1.008000    0.040000
 -1.1930E+01 -1.6787E+01 -1.9298E+01
  8.3156E+00 -1.0165E+01 -5.2249E+00
 -1.2197E+02 -1.0079E+03 -2.0488E+03
HC            3395    1.008000    0.040000
 -1.2458E+01 -1.8486E+01 -1.9371E+01
  2.0472E+01 -3.1637E+00  1.8920E+01
  2.1342E+02  1.0045E+03 -2.3409E+01
HC            3396    1.008000    0.040000
 -1.2401E+01 -1.7582E+01 -1.7882E+01
 -1.5507E+01 -5.9170E+00  5.0840E+00
 -2.3519E+03 -1.3549E+03  4.8539E+02
CT            3397   12.011000    0.145000
  8.8708E+00 -8.3503E+00 -1.9832E+01
  2.6698E-01  5.2424E+00 -3.6051E+00
 -6.7071E+02 -3.3320E+03 -1.7315E+03
OH            3398    0.000000   -0.683000
  1.0221E+01 -8.6295E+00 -2.0127E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3399    1.008000    0.418000
  1.0501E+01 -9.3537E+00 -1.9588E+01
 -1.4303E+01 -4.0869E+00  2.3692E+00
 -1.1834E+03  7.7779E+02  1.3483E+03
HC            3400    1.008000    0.040000
  8.7517E+00 -8.0895E+00 -1.8781E+01
 -2.9283E+00  1.8117E+01 -6.9826E+00
 -9.3747E+02  2.5715E+02 -5.1837E+02
HC            3401    1.008000    0.040000
  8.2478E+00 -9.2115E+00 -2.0074E+01
  9.2545E+00 -5.0635E+00  8.5754E+00
  1.7604E+03 -2.0918E+03  2.0944E+03
HC            3402    1.008000    0.040000
  8.3214E+00 -7.6128E+00 -2.0417E+01
 -8.0311E-02  1.9713E+01  1.4075E+01
  3.4498E+03  2.5445E+03  7.1775E+02
CT            3403   12.011000    0.145000
  1.3566E+01  8.8282E+00 -1.2505E-01
 -3.6750E+00 -2.1562E+00 -4.0469E+00
 -7.6327E+02  6.2825E+03  2.8509E+03
OH            3404    0.000000   -0.683000
  1.2730E+01  8.3423E+00  9.0134E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3405    1.008000    0.418000
  1.2938E+01  8.5939E+00  1.7882E+00
  1.7638E+01  8.7017E+00 -6.1214E+00
  2.6405E+03  2.2401E+03 -1.4303E+03
HC            3406    1.008000    0.040000
  1.4234E+01  9.5138E+00  3.9680E-01
  2.2631E+01 -1.0361E+01 -2.4647E+01
  3.9380E+03 -2.0706E+03 -2.4691E+03
HC            3407    1.008000    0.040000
  1.2945E+01  9.4367E+00 -7.8213E-01
 -1.7621E+01 -2.0268E+01 -8.4609E+00
  5.4063E+02 -1.0608E+03 -1.1178E+03
HC            3408    1.008000    0.040000
  1.3992E+01  7.9808E+00 -6.6248E-01
  3.3313E-01  2.8285E-01 -4.7596E+00
  2.6350E+03  1.9373E+03  1.2390E+02
CT            3409   12.011000    0.145000
  3.3836E+00 -2.7024E+00 -1.3281E+01
 -3.9154E-01  3.1649E+00  4.9454E+00
  3.2250E+03  2.0778E+03  4.2377E+03
OH            3410    0.000000   -0.683000
  3.6886E+00 -1.5352E+00 -1.4011E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3411    1.008000    0.418000
  2.8125E+00 -1.2642E+00 -1.4239E+01
  2.2534E+00  3.5372E+00 -4.6181E+00
  8.9203E+02  1.7800E+03 -1.3413E+03
HC            3412    1.008000    0.040000
  2.5563E+00 -2.4394E+00 -1.2622E+01
 -2.4452E+01 -6.4515E+00 -1.9488E+01
 -6.9588E+02 -1.4866E+03 -1.6252E+03
HC            3413    1.008000    0.040000
  4.1973E+00 -3.0694E+00 -1.2655E+01
  2.2011E+01 -4.2893E+00 -2.6143E+01
  1.3207E+03  1.9855E+03 -1.9178E+03
HC            3414    1.008000    0.040000
  3.1422E+00 -3.6412E+00 -1.3779E+01
  3.4044E+00 -8.5292E+00  2.4093E+01
 -1.3867E+03  2.6326E+03 -1.7648E+03
CT            3415   12.011000    0.145000
  1.9743E+01 -1.3698E+01 -1.4301E+01
 -1.3551E+00  4.4154E+00 -9.1676E-01
  2.9189E+03 -5.6426E+03  1.2931E+03
OH            3416    0.000000   -0.683000
  1.9911E+01 -1.3369E+01 -1.2940E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3417    1.008000    0.418000
 -2.0196E+01 -1.2858E+01 -1.2983E+01
 -1.0698E+00  1.5504E+00 -1.4432E+00
  1.0767E+03 -1.5412E+03  2.9972E+03
HC            3418    1.008000    0.040000
  1.9782E+01 -1.2892E+01 -1.5033E+01
 -1.7819E+01  8.5717E+00  2.3662E+00
 -3.2211E+03  5.9687E+02  1.1957E+03
HC            3419    1.008000    0.040000
  1.8873E+01 -1.4355E+01 -1.4305E+01
 -8.7932E+00  1.3526E+01  1.5663E+01
 -9.1184E+02  1.8816E+03 -2.8947E+03
HC            3420    1.008000    0.040000
 -2.0321E+01 -1.4354E+01 -1.4542E+01
 -7.6703E+00 -1.5928E+01  2.7269E+01
 -6.8144E+02 -1.0537E+02  8.1772E+02
CT            3421   12.011000    0.145000
 -4.0567E+00  8.6487E+00 -1.1847E+01
  2.0298E+00 -8.6234E-01 -1.9064E-01
  9.5498E+02 -3.6608E+02  2.0867E+02
OH            3422    0.000000   -0.683000
 -3.5072E+00  9.9472E+00 -1.1843E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3423    1.008000    0.418000
 -2.6075E+00  9.9468E+00 -1.1554E+01
  4.1582E-03 -3.7071E+00  3.1420E-02
 -1.0364E+02 -4.1998E+03  3.6241E+02
HC            3424    1.008000    0.040000
 -4.0292E+00  8.3075E+00 -1.0812E+01
  3.2334E+00  3.8963E+00  1.3720E+00
 -5.2343E+02 -1.5499E+03 -5.3299E+02
HC            3425    1.008000    0.040000
 -3.4896E+00  7.9606E+00 -1.2474E+01
  8.6717E+00 -1.0281E+01  1.5549E+01
  6.8821E+02  2.3291E+02  8.0453E+02
HC            3426    1.008000    0.040000
 -5.0782E+00  8.6482E+00 -1.2227E+01
  2.0063E+00 -7.2689E+00 -2.2686E-01
 -1.8795E+02  1.4042E+02  8.6191E+02
CT            3427   12.011000    0.145000
 -2.5835E+00 -1.7225E+01  1.6593E+01
 -2.8448E+00  2.1080E+00  1.0124E+01
 -5.9160E+02  2.0775E+03 -4.4523E+03
OH            3428    0.000000   -0.683000
 -3.9185E+00 -1.7548E+01  1.6274E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3429    1.008000    0.418000
 -4.3781E+00 -1.7499E+01  1.7098E+01
 -1.4528E+00  2.9030E-01 -8.2340E-01
 -1.7715E+03  3.5903E+03 -1.2218E+03
HC            3430    1.008000    0.040000
 -2.0267E+00 -1.7887E+01  1.7256E+01
  7.2465E+00 -6.1926E+00 -5.9889E+00
 -1.9131E+03 -8.4677E+02 -5.4224E+02
HC            3431    1.008000    0.040000
 -2.3591E+00 -1.6183E+01  1.6818E+01
 -4.1746E+00  9.3193E+00 -1.8158E+01
 -3.9931E+03 -5.0348E+02  1.6739E+03
HC            3432    1.008000    0.040000
 -2.0243E+00 -1.7194E+01  1.5658E+01
 -7.7001E+00 -7.3905E+00  6.7709E+00
 -1.6378E+02 -2.9684E+03 -5.2297E+02
CT            3433   12.011000    0.145000
 -8.0052E+00 -6.9516E-01 -2.8681E+00
  7.4172E-01  5.1223E+00 -4.8212E-01
  2.7865E+01 -1.9178E+03  1.4833E+02
OH            3434    0.000000   -0.683000
 -6.9391E+00 -9.3858E-01 -3.7583E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3435    1.008000    0.418000
 -7.0434E+00 -1.8302E+00 -4.0536E+00
 -7.2633E+00  6.4260E+00 -1.8287E+01
  1.1450E+03  5.5365E+02 -7.1077E+02
HC            3436    1.008000    0.040000
 -8.8991E+00 -1.2731E+00 -3.1024E+00
  4.9670E+00 -2.6200E+00  2.1332E+00
 -2.1263E+02  1.1498E+03 -1.7295E+03
HC            3437    1.008000    0.040000
 -8.2669E+00  3.5751E-01 -2.7611E+00
 -1.9987E+01 -1.9503E+00  3.3919E+01
  1.1724E+02 -1.6463E+03  2.0723E+03
HC            3438    1.008000    0.040000
 -7.6727E+00 -1.1074E+00 -1.9154E+00
  1.1796E+00  2.7411E+01  9.6385E+00
 -9.5800E+02  2.5431E+03  1.1637E+03
CT            3439   12.011000    0.145000
 -3.6485E+00 -2.0244E+01  6.7274E+00
 -4.6163E-01  5.7597E+00  9.5122E-01
  3.2548E+03 -3.5380E+03  1.7048E+03
OH            3440    0.000000   -0.683000
 -2.7033E+00 -2.0006E+01  5.7085E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3441    1.008000    0.418000
 -3.2043E+00 -2.0118E+01  4.9151E+00
  6.9838E+00  2.3421E+01 -8.5463E+00
 -1.0782E+02  1.0157E+03  6.9461E+02
HC            3442    1.008000    0.040000
 -3.1288E+00 -2.0172E+01  7.6828E+00
 -1.7068E+01 -7.8973E+00  1.1617E+01
 -2.1366E+03  9.0755E+02  8.7014E+02
HC            3443    1.008000    0.040000
 -3.8905E+00  1.9595E+01  6.6639E+00
  1.0938E+01  1.7535E+00  1.7698E+01
 -6.6614E+02  3.1616E+02  6.2161E+02
HC            3444    1.008000    0.040000
 -4.5919E+00 -1.9700E+01  6.6904E+00
 -7.9236E+00 -6.9663E+00 -2.2702E+00
  1.4242E+03  1.0683E+03  4.5322E+01
CT            3445   12.011000    0.145000
  1.7417E+01  1.2788E+01 -1.4163E+01
 -1.4813E+00 -1.7690E-01  2.0479E-01
 -3.7816E+03  1.7533E+03  4.8756E+02
OH            3446    0.000000   -0.683000
  1.7227E+01  1.2772E+01 -1.5560E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3447    1.008000    0.418000
  1.7368E+01  1.3684E+01 -1.5765E+01
  5.6283E+00 -1.6480E+00 -3.6957E+00
 -5.1143E+02 -4.3245E+02 -2.1020E+03
HC            3448    1.008000    0.040000
  1.6975E+01  1.3676E+01 -1.3709E+01
 -1.2712E+01 -1.2684E+00 -8.1605E+00
  8.1094E+02  1.6926E+03 -2.3159E+03
HC            3449    1.008000    0.040000
  1.8445E+01  1.2755E+01 -1.3803E+01
 -1.3010E+00  3.7838E+00  9.7032E-02
  1.4166E+02 -7.9757E+02 -1.4563E+03
HC            3450    1.008000    0.040000
  1.6771E+01  1.2105E+01 -1.3612E+01
 -6.1701E+00  2.6727E+00 -1.7001E+00
  1.4333E+03 -2.4074E+03 -1.2707E+03
CT            3451   12.011000    0.145000
  2.7736E+00  1.4373E+01 -1.8957E+01
  3.4424E+00 -5.4189E+00  1.6973E+00
  1.0231E+03 -4.9051E+02 -1.1257E+03
OH            3452    0.000000   -0.683000
  1.9629E+00  1.3598E+01 -1.9812E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3453    1.008000    0.418000
  1.8347E+00  1.4152E+01  2.0333E+01
  6.6601E-01 -3.3454E+00 -2.5931E+00
  1.7108E+03 -1.4754E+03 -1.3815E+03
HC            3454    1.008000    0.040000
  3.8167E+00  1.4303E+01 -1.9266E+01
  4.3523E+00 -1.1824E+01  6.0317E+00
  7.2970E+01 -9.3902E+01  5.9393E+01
HC            3455    1.008000    0.040000
  2.6813E+00  1.3973E+01 -1.7948E+01
 -8.9135E+00 -1.9051E+01 -4.4676E+00
 -3.2809E+02  1.7186E+03  1.0385E+02
HC            3456    1.008000    0.040000
  2.4855E+00  1.5418E+01 -1.9069E+01
  1.3172E+01  1.6707E-02  2.2537E+01
 -1.7023E+02 -1.4620E+02  2.7582E+03
CT            3457   12.011000    0.145000
  7.6820E+00 -5.0536E+00 -1.5999E+01
  2.9954E-01 -1.0386E+00 -1.7656E+00
 -4.7779E+02  1.3668E+03  2.6539E+03
OH            3458    0.000000   -0.683000
  8.8770E+00 -5.5908E+00 -1.5477E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3459    1.008000    0.418000
  9.4968E+00 -5.4484E+00 -1.6176E+01
  7.4609E+00 -3.9755E-02  6.4677E+00
  8.3996E+02 -8.7468E+02  6.5257E+02
HC            3460    1.008000    0.040000
  6.9823E+00 -4.8846E+00 -1.5180E+01
  2.5424E+00  3.5143E+01 -5.6953E+00
 -4.7370E+02 -4.2276E+02 -1.7467E+03
HC            3461    1.008000    0.040000
  7.2994E+00 -5.7031E+00 -1.6786E+01
 -7.5036E+00 -6.5804E+00  6.3963E+00
 -8.5919E+02  1.0018E+03  9.3093E+01
HC            3462    1.008000    0.040000
  7.9021E+00 -4.0546E+00 -1.6375E+01
 -7.8820E+00 -5.6506E+00 -1.9908E+01
 -1.0114E+03 -5.0662E+02 -1.2595E+03
CT            3463   12.011000    0.145000
 -1.3095E+00 -1.6535E+01  1.2348E+01
  2.5420E+00 -7.3676E-01 -2.7703E+00
  2.5450E+02 -2.1277E+03 -2.0532E+03
OH            3464    0.000000   -0.683000
 -2.1044E+00 -1.5816E+01  1.1433E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3465    1.008000    0.418000
 -1.6915E+00 -1.4966E+01  1.1469E+01
 -1.0692E+00  7.2516E-01 -4.2168E+00
 -1.7391E+03  8.4175E+02 -2.6682E+02
HC            3466    1.008000    0.040000
 -2.8517E-01 -1.6174E+01  1.2256E+01
  1.4950E+01 -3.3986E+01 -9.2197E+00
 -7.6895E+02 -8.7496E+02  3.1354E+03
HC            3467    1.008000    0.040000
 -1.2880E+00 -1.7553E+01  1.1959E+01
  1.8125E+00 -2.2570E-01 -4.1554E+00
  2.6672E+01 -1.0222E+03  2.1110E+03
HC            3468    1.008000    0.040000
 -1.8564E+00 -1.6412E+01  1.3283E+01
 -4.2020E+00  1.3244E+01 -8.2734E+00
  3.4645E+03 -5.5179E+02  1.4095E+03
CT            3469   12.011000    0.145000
 -7.0564E+00 -7.7115E+00  7.9250E+00
 -1.9327E+00 -1.6111E+00 -6.2402E-01
 -2.2759E+03  2.5224E+03 -1.6249E+03
OH            3470    0.000000   -0.683000
 -7.6764E+00 -7.4428E+00  9.1626E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3471    1.008000    0.418000
 -7.9812E+00 -8.2959E+00  9.4316E+00
  6.6263E+00 -1.0958E+00  4.2696E+00
 -1.2433E+03  6.4151E+02  2.5642E+02
HC            3472    1.008000    0.040000
 -6.5174E+00 -6.8460E+00  7.5395E+00
 -9.0178E+00 -8.5549E-01 -9.1528E+00
  8.7159E+02 -3.2860E+02  6.1857E+02
HC            3473    1.008000    0.040000
 -7.9371E+00 -7.8245E+00  7.2929E+00
 -2.1955E+01  1.2912E+00  2.5062E+01
  2.1348E+03 -2.3977E+03 -7.2720E+02
HC            3474    1.008000    0.040000
 -6.3871E+00 -8.5673E+00  8.0128E+00
  1.2868E+01  7.8592E+00 -1.5207E+01
 -4.4930E+02  3.4629E+02 -1.8734E+03
CT            3475   12.011000    0.145000
 -1.0571E+01  1.5317E+00 -1.4581E+01
 -1.1818E+00 -3.2915E+00  2.1989E+00
  4.7363E+02 -5.2900E+02  6.2193E+03
OH            3476    0.000000   -0.683000
 -1.1846E+01  2.1088E+00 -1.4410E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3477    1.008000    0.418000
 -1.2423E+01  1.3659E+00 -1.4498E+01
  2.2903E+01 -1.7173E+01 -1.8700E+01
  1.4858E+03  3.9156E+02 -3.7084E+03
HC            3478    1.008000    0.040000
 -9.9442E+00  2.1974E+00 -1.3987E+01
 -4.1102E+00  1.2801E+01 -1.1964E+01
  1.7838E+03 -2.2903E+02 -1.7692E+03
HC            3479    1.008000    0.040000
 -1.0205E+01  1.4917E+00 -1.5607E+01
 -7.9373E+00  8.2960E+00 -8.4351E-01
 -3.6344E+02 -1.1323E+03  6.4925E+02
HC            3480    1.008000    0.040000
 -1.0589E+01  5.9015E-01 -1.4032E+01
  1.8684E+01  5.0259E+00  1.8461E+01
  1.7681E+03 -6.3693E+02 -1.8771E+03
CT            3481   12.011000    0.145000
 -4.9930E+00 -1.6755E+01 -7.8174E+00
 -5.3826E-01  2.0871E+00 -2.5444E+00
  6.0165E+02 -3.3110E+03  2.5126E+03
OH            3482    0.000000   -0.683000
 -3.6263E+00 -1.6823E+01 -8.1574E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3483    1.008000    0.418000
 -3.1065E+00 -1.6983E+01 -7.3846E+00
  2.1209E+01 -1.2330E+00 -1.3692E+01
  8.0584E+02  1.6148E+03 -9.0864E+02
HC            3484    1.008000    0.040000
 -5.2646E+00 -1.5958E+01 -7.1256E+00
  1.1707E+01 -1.2564E+01  2.0440E+01
  1.2206E+03  4.5754E+02 -1.7324E+03
HC            3485    1.008000    0.040000
 -5.0998E+00 -1.7636E+01 -7.1835E+00
  1.8995E+01 -1.1650E+00 -3.1497E+00
 -1.1237E+03 -1.8475E+02 -6.3181E+02
HC            3486    1.008000    0.040000
 -5.6939E+00 -1.6857E+01 -8.6460E+00
 -1.3625E+01  1.0291E+01  7.1227E+00
  7.9572E+02  1.3292E+03 -2.0133E+02
CT            3487   12.011000    0.145000
  6.8276E+00  1.4248E+01 -4.1741E+00
  6.1461E-01 -2.0349E+00 -1.1825E+00
 -1.1678E+02  2.3823E+02 -5.7058E+02
OH            3488    0.000000   -0.683000
  8.1325E+00  1.4750E+01 -4.3554E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3489    1.008000    0.418000
  8.7705E+00  1.4080E+01 -4.1643E+00
  7.3046E-01 -8.0371E-01 -5.1150E+00
 -9.8371E+02 -2.0044E+03 -3.6724E+03
HC            3490    1.008000    0.040000
  6.6117E+00  1.3608E+01 -5.0294E+00
  1.6528E+01  2.1765E+00 -8.7356E+00
 -2.9156E+01  3.0449E+01  3.5142E+02
HC            3491    1.008000    0.040000
  6.1398E+00  1.5092E+01 -4.2270E+00
 -7.1137E+00 -8.5949E+00 -8.2316E+00
 -3.6181E+02 -4.1581E+02  2.0933E+02
HC            3492    1.008000    0.040000
  6.7155E+00  1.3680E+01 -3.2502E+00
  1.4325E+01 -1.4145E+01 -6.5631E+00
  2.9339E+02  4.1692E+02 -1.6465E+02
CT            3493   12.011000    0.145000
  6.9017E+00  1.5491E+01  1.2127E+01
 -3.0503E-02  1.8178E+00  2.3179E-01
 -1.1156E+03 -2.2812E+03  6.9289E+02
OH            3494    0.000000   -0.683000
  7.7858E+00  1.5365E+01  1.3218E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3495    1.008000    0.418000
  7.3004E+00  1.5565E+01  1.4004E+01
 -8.1418E-01 -1.4200E+01  3.3890E+00
  3.1209E+01  4.0249E+03 -1.6484E+03
HC            3496    1.008000    0.040000
  6.8087E+00  1.6567E+01  1.1979E+01
 -7.9479E+00  6.4981E-01 -3.8311E+00
 -2.2136E+03 -7.4857E+02 -2.7204E+03
HC            3497    1.008000    0.040000
  5.9874E+00  1.4968E+01  1.2408E+01
  5.9027E+00 -5.1212E+00  7.0871E+00
 -1.3836E+03  2.8853E+03  6.8404E+02
HC            3498    1.008000    0.040000
  7.2491E+00  1.4906E+01  1.1275E+01
  2.4857E+01  9.8222E+00  4.0663E+00
  2.0229E+03  3.0066E+03 -7.6573E+02
CT            3499   12.011000    0.145000
 -1.3898E+01  1.4555E+01  1.5755E+01
  2.5699E+00 -1.3727E+00  2.1186E+00
 -2.4048E+03  1.4193E+03 -3.4795E+02
OH            3500    0.000000   -0.683000
 -1.3243E+01  1.5803E+01  1.5762E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3501    1.008000    0.418000
 -1.2326E+01  1.5617E+01  1.5629E+01
  1.0932E+00  1.9797E+01 -2.9548E+01
 -1.3666E+03  3.5228E+02 -2.8367E+03
HC            3502    1.008000    0.040000
 -1.4278E+01  1.4649E+01  1.4738E+01
 -1.6935E+01  2.0457E+01  1.0516E+01
 -1.7815E+03 -3.1980E+03  1.3209E+03
HC            3503    1.008000    0.040000
 -1.4737E+01  1.4572E+01  1.6452E+01
 -1.7020E+01  5.3590E-01 -2.0221E+01
 -1.4167E+03  7.3634E+02 -2.3658E+03
HC            3504    1.008000    0.040000
 -1.3348E+01  1.3646E+01  1.5999E+01
  2.7756E+00 -1.6852E+00  5.0518E-01
  2.3255E+03  1.2675E+03 -1.5032E+03
CT            3505   12.011000    0.145000
  9.7864E+00  1.1941E+01 -6.5566E+00
  2.8535E-01 -1.1376E+00  6.1168E-01
  1.0876E+03  7.3629E+02 -2.0819E+02
OH            3506    0.000000   -0.683000
  9.6199E+00  1.2573E+01 -5.3071E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3507    1.008000    0.418000
  9.9768E+00  1.2094E+01 -4.5747E+00
  1.8927E+00 -1.2009E+01 -8.4722E+00
  1.3033E+03 -5.0906E+03 -3.8545E+03
HC            3508    1.008000    0.040000
  9.2462E+00  1.0995E+01 -6.5460E+00
  5.3514E+00 -4.1287E+00  1.5375E+01
  2.7861E+03 -1.2619E+03 -2.6635E+01
HC            3509    1.008000    0.040000
  1.0861E+01  1.1820E+01 -6.6946E+00
 -3.1191E+00 -5.4490E+01  3.4144E-01
 -2.4218E+03 -3.7213E+03 -1.1704E+03
HC            3510    1.008000    0.040000
  9.3066E+00  1.2524E+01 -7.3430E+00
 -2.0180E+01 -1.5364E+01  1.7657E+00
  5.9282E+02  3.0226E+02  7.2011E+02
CT            3511   12.011000    0.145000
 -1.2547E+01 -1.1934E+01  1.4229E+01
 -1.0349E+00 -5.7830E+00 -2.8968E+00
  5.3756E+02 -3.3132E+03 -1.4068E+00
OH            3512    0.000000   -0.683000
 -1.1268E+01 -1.1860E+01  1.3639E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3513    1.008000    0.418000
 -1.0741E+01 -1.2587E+01  1.3934E+01
  2.0644E+01  7.3030E+00 -1.6409E+01
 -2.2067E+02 -2.9763E+02 -2.4856E+03
HC            3514    1.008000    0.040000
 -1.2627E+01 -1.2120E+01  1.5300E+01
 -2.8763E+01  8.9101E+00 -1.5104E+00
  2.5566E+03  2.8112E+02 -8.9063E+02
HC            3515    1.008000    0.040000
 -1.2993E+01 -1.2844E+01  1.3828E+01
  1.2009E+01 -2.3007E+01  1.9275E+01
 -1.2289E+03  1.7463E+03 -1.8485E+02
HC            3516    1.008000    0.040000
 -1.3134E+01 -1.1018E+01  1.4172E+01
  1.0662E+01  3.7876E+00  1.8356E+01
  8.1939E+02 -8.6332E+02 -2.1584E+03
CT            3517   12.011000    0.145000
 -9.5116E-01 -3.3073E+00 -1.9983E+01
 -1.3658E+00 -5.1878E-01  2.1842E+00
  5.9730E+02 -7.8235E+02  1.4360E+03
OH            3518    0.000000   -0.683000
 -5.3630E-01 -2.0765E+00 -1.9434E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3519    1.008000    0.418000
 -8.3258E-01 -1.3877E+00 -2.0009E+01
 -2.3823E+01 -3.5007E+00  6.9865E+00
 -1.8951E+03 -6.9362E+02  8.8989E+02
HC            3520    1.008000    0.040000
 -2.0051E+00 -3.5853E+00 -1.9993E+01
 -1.0422E+01  3.0197E+01 -2.7805E-01
 -7.5596E+02  4.7121E+03  2.3067E+03
HC            3521    1.008000    0.040000
 -4.8483E-01 -4.1513E+00 -1.9474E+01
  1.4184E+00 -1.7540E+01 -2.6430E+01
  9.1466E+02  8.0702E+02 -1.2414E+03
HC            3522    1.008000    0.040000
 -7.3368E-01 -3.4038E+00  1.9853E+01
 -1.9729E-01  1.4266E+01  8.7370E-01
  3.0325E+03  1.0005E+03  7.9411E+02
CT            3523   12.011000    0.145000
  2.8610E+00 -1.0682E+01 -1.4837E+01
  6.0548E-01  1.7003E-01 -1.8490E-01
  2.6253E+03  6.4878E+02 -6.0874E+01
OH            3524    0.000000   -0.683000
  2.5284E+00 -9.3215E+00 -1.4673E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3525    1.008000    0.418000
  1.7885E+00 -9.4746E+00 -1.4105E+01
 -6.1351E+00 -1.5663E+01 -1.1490E+01
 -8.6602E+02  5.0287E+03 -1.0379E+03
HC            3526    1.008000    0.040000
  3.6514E+00 -1.0911E+01 -1.5551E+01
  4.7808E-01 -6.0434E+00  1.6129E+00
 -3.4270E+02  1.2023E+03 -8.8284E+02
HC            3527    1.008000    0.040000
  1.9466E+00 -1.1205E+01 -1.5117E+01
 -2.3018E+00  3.5977E+00  2.7996E+00
  8.3070E+02 -1.2239E+03  5.7490E+02
HC            3528    1.008000    0.040000
  3.2457E+00 -1.1030E+01 -1.3878E+01
 -8.0336E+00 -1.2690E+01 -1.1410E+00
 -1.3879E+03 -1.6403E+03 -9.1074E+01
CT            3529   12.011000    0.145000
 -1.9482E+01  2.2315E+00  1.2359E+01
  6.7124E-01 -2.5209E+00 -1.7974E+00
  3.1429E+03 -2.1932E+03 -2.8977E+03
OH            3530    0.000000   -0.683000
 -1.8872E+01  1.6079E+00  1.3467E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3531    1.008000    0.418000
 -1.8074E+01  2.0807E+00  1.3647E+01
 -9.2386E+00  1.2114E+01  1.1151E+01
 -4.7077E+02 -1.4728E+02  7.0302E+02
HC            3532    1.008000    0.040000
 -1.8910E+01  2.0216E+00  1.1455E+01
  1.9433E+01 -6.9779E+00  1.0509E+01
  3.1276E+03  8.4027E+02  1.6202E+03
HC            3533    1.008000    0.040000
 -1.9486E+01  3.3138E+00  1.2488E+01
  2.9414E+00 -4.0171E+00  1.2462E+01
 -1.7421E+03 -4.2080E+02 -1.1053E+02
HC            3534    1.008000    0.040000
 -2.0412E+01  1.8166E+00  1.1971E+01
  8.7189E-02 -6.1088E+00  3.3383E+00
 -2.0645E+03  5.8229E+02  4.5320E+03
CT            3535   12.011000    0.145000
 -2.6427E+00  1.4781E+01  1.0088E+01
  3.7383E+00 -1.9273E-01 -4.4009E+00
  1.9872E+03  1.2659E+03  2.6530E+03
OH            3536    0.000000   -0.683000
 -2.9153E+00  1.6135E+01  9.8049E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3537    1.008000    0.418000
 -3.7794E+00  1.6080E+01  9.4265E+00
 -1.1489E+01  3.4630E+01  1.6872E+01
 -3.1423E+02  5.0772E+03  2.1541E+03
HC            3538    1.008000    0.040000
 -1.6264E+00  1.4542E+01  1.0401E+01
 -5.6516E+00 -2.5883E+01  9.4623E+00
 -9.9757E+01  5.1232E+02 -2.1982E+03
HC            3539    1.008000    0.040000
 -3.0216E+00  1.4161E+01  9.2758E+00
 -1.7409E+01 -2.6113E+00  6.6022E+00
  1.9265E+03 -3.9956E+02  6.6220E+02
HC            3540    1.008000    0.040000
 -3.1460E+00  1.4443E+01  1.0994E+01
  9.4783E+00 -8.5898E-01 -1.4136E+00
 -1.5290E+03  7.6379E+02 -5.8559E+02
CT            3541   12.011000    0.145000
 -9.4690E+00  1.5532E+01 -9.7043E+00
 -3.9292E+00  9.9788E+00 -5.6654E+00
  2.4307E+03 -5.6197E+02 -1.4742E+03
OH            3542    0.000000   -0.683000
 -8.3126E+00  1.6215E+01 -9.2761E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3543    1.008000    0.418000
 -8.3805E+00  1.7091E+01 -9.6239E+00
  1.5087E+01 -1.3164E+00 -7.0627E+00
 -3.5916E+02 -5.4364E+02 -4.7009E+02
HC            3544    1.008000    0.040000
 -9.3730E+00  1.4470E+01 -9.4749E+00
 -5.0187E+00  1.3788E+01  1.4202E+01
 -6.7308E+02  5.3007E+02  1.7859E+03
HC            3545    1.008000    0.040000
 -9.5443E+00  1.5565E+01 -1.0791E+01
 -2.6836E+01  3.9122E-01 -4.9404E+00
 -1.1346E+03  1.6602E+03  5.4869E+02
HC            3546    1.008000    0.040000
 -1.0389E+01  1.5918E+01 -9.2669E+00
 -1.0775E+01 -1.2333E+01  1.0069E+00
  2.9476E+02 -1.1178E+03 -1.3691E+02
CT            3547   12.011000    0.145000
  1.0908E+01 -8.1322E+00  1.1028E+01
 -3.1150E+00 -7.5318E+00  2.3658E+00
  7.7909E+03  7.2144E+02  6.5013E+03
OH            3548    0.000000   -0.683000
  1.0139E+01 -7.4926E+00  1.2022E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3549    1.008000    0.418000
  9.2903E+00 -7.3242E+00  1.1642E+01
  4.9603E+00  1.1551E+01 -6.5026E+00
  4.1105E+02 -1.7909E+03 -1.0331E+03
HC            3550    1.008000    0.040000
  1.0883E+01 -9.2168E+00  1.1133E+01
  4.0190E+00 -8.2179E+00 -2.3224E+00
 -2.2715E+03 -2.1064E+02 -4.1494E+03
HC            3551    1.008000    0.040000
  1.1937E+01 -8.0091E+00  1.1365E+01
 -6.1043E+00  1.1963E+00  8.6734E+00
  1.4058E+02  7.0494E+02  1.6606E+03
HC            3552    1.008000    0.040000
  1.1063E+01 -7.6169E+00  1.0080E+01
 -1.0327E+01  1.2714E+01  1.1612E+01
 -4.2209E+03 -1.4508E+03 -4.1794E+02
CT            3553   12.011000    0.145000
  2.6176E+00 -1.5587E+01  1.1823E+01
  1.1278E+00  1.7638E+00 -1.2421E+00
 -6.5185E+03  9.4339E+02  1.8301E+03
OH            3554    0.000000   -0.683000
  3.0267E+00 -1.4997E+01  1.3037E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3555    1.008000    0.418000
  3.9476E+00 -1.4864E+01  1.2872E+01
 -3.7061E-01 -3.9476E+00 -5.5507E+00
  3.9341E+02 -1.0086E+03  1.8876E+03
HC            3556    1.008000    0.040000
  1.7277E+00 -1.4996E+01  1.1604E+01
  7.8892E+00  1.6844E+01  1.0113E+01
  1.1691E+03  1.1361E+03 -2.0829E+03
HC            3557    1.008000    0.040000
  2.2010E+00 -1.6590E+01  1.1915E+01
  2.7973E+01 -1.0792E+01 -6.6626E+00
  3.0685E+03 -8.5001E+02  7.3324E+02
HC            3558    1.008000    0.040000
  3.3109E+00 -1.5523E+01  1.0984E+01
  3.4600E+00  1.6121E+01  1.5191E+00
  2.8334E+02  2.6442E+02  1.0872E+03
CT            3559   12.011000    0.145000
 -2.9230E+00 -8.3097E+00  1.4621E+01
  1.0596E+00 -5.5226E+00  2.9212E+00
 -2.1756E+02  4.5422E+03  4.4620E+03
OH            3560    0.000000   -0.683000
 -4.3098E+00 -8.4597E+00  1.4827E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3561    1.008000    0.418000
 -4.5502E+00 -9.1151E+00  1.4190E+01
  4.0650E+00 -3.4179E+00  1.9322E+00
  1.5226E+03  3.2205E+02 -8.6707E+02
HC            3562    1.008000    0.040000
 -2.3456E+00 -9.2304E+00  1.4705E+01
  5.6045E+00 -4.3290E+00 -1.2227E+01
 -1.1996E+03 -4.1000E+02 -1.9763E+03
HC            3563    1.008000    0.040000
 -2.4758E+00 -7.5421E+00  1.5253E+01
 -3.2473E+01  4.6901E+01 -2.9268E+01
 -4.0708E+03 -1.7477E+03 -1.5369E+03
HC            3564    1.008000    0.040000
 -2.8130E+00 -7.8072E+00  1.3660E+01
 -6.1065E+00  8.5340E+00  9.1516E+00
  9.2040E+02 -1.6889E+03 -1.2541E+02
CT            3565   12.011000    0.145000
  5.9782E+00 -5.8955E-01  7.0746E-01
  1.1802E+00 -5.4269E+00 -8.4011E+00
 -8.8879E+02  5.5898E+00  1.9092E+03
OH            3566    0.000000   -0.683000
  4.6099E+00 -9.2780E-01  7.4583E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3567    1.008000    0.418000
  4.3854E+00 -1.1958E+00 -1.3213E-01
 -3.7292E-01  1.0859E+01 -3.3670E+00
 -2.1104E+03  1.8398E+03  5.0501E+01
HC            3568    1.008000    0.040000
  6.6254E+00 -1.2590E+00  1.4089E-01
 -2.0140E+01 -2.9933E+01 -5.6775E+00
 -3.6506E+03 -3.0984E+02 -2.1518E+03
HC            3569    1.008000    0.040000
  6.5045E+00 -7.5474E-01  1.6476E+00
 -1.1800E+01  1.0830E+00  3.1554E-01
 -4.4989E+03  6.8001E+02  2.7521E+03
HC            3570    1.008000    0.040000
  6.2139E+00  4.6371E-01  5.5526E-01
  8.6994E+00 -3.0639E+00  1.5452E+01
 -2.0271E+03 -5.9425E+02 -1.3481E+03
CT            3571   12.011000    0.145000
 -1.3536E+01  2.5543E+00 -3.6484E-01
 -1.6869E+00  2.3412E+00 -6.4766E+00
  2.2834E+02 -7.5606E+02  2.7612E+03
OH            3572    0.000000   -0.683000
 -1.4434E+01  3.4776E+00  2.1033E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3573    1.008000    0.418000
 -1.4252E+01  3.5682E+00  1.1333E+00
 -1.4304E+01  3.2004E+01  1.0051E+00
 -8.0182E+02  1.6034E+02 -1.1384E+03
HC            3574    1.008000    0.040000
 -1.3196E+01  1.8787E+00  4.1995E-01
 -1.4969E+01  4.3620E+00  1.3302E+00
 -1.2333E+03 -7.2200E+02 -4.0155E+01
HC            3575    1.008000    0.040000
 -1.2664E+01  3.1476E+00 -6.3704E-01
  1.0496E+01 -1.4609E+01 -5.9597E+00
 -9.5724E+02 -1.9827E+03 -5.4587E+03
HC            3576    1.008000    0.040000
 -1.4306E+01  2.0813E+00 -9.7519E-01
 -4.6971E+00 -3.9680E+00  2.0083E+00
  5.3456E+03 -1.0554E+03 -4.9768E+03
CT            3577   12.011000    0.145000
  3.8383E+00 -9.2174E+00  1.1851E+01
  1.0896E+00 -1.1223E+00  5.5510E+00
 -1.8239E+03 -9.0873E+02  1.8862E+03
OH            3578    0.000000   -0.683000
  3.3601E+00 -7.9371E+00  1.2198E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3579    1.008000    0.418000
  4.0617E+00 -7.3669E+00  1.1923E+01
  5.7061E+00 -5.3801E-01  1.2731E+01
 -9.7175E+02  7.9017E+02 -2.3614E+01
HC            3580    1.008000    0.040000
  4.8601E+00 -9.3720E+00  1.2198E+01
  3.1749E+00  3.9082E+00  1.7713E+00
  6.3588E+02  1.9583E+03 -1.2295E+03
HC            3581    1.008000    0.040000
  3.8101E+00 -9.2712E+00  1.0763E+01
  1.1041E+01  3.2787E+01  2.4611E+00
  4.4982E+02 -5.8143E+02  1.3920E+03
HC            3582    1.008000    0.040000
  3.3785E+00 -1.0073E+01  1.2346E+01
  3.9066E+01 -2.6477E+01  1.2742E+00
 -9.1965E+02  1.9221E+03 -1.9902E+03
CT            3583   12.011000    0.145000
  1.8100E+01  1.5873E+01  1.5886E+01
  1.2745E+00  1.4850E+00 -5.7118E+00
 -1.2576E+03 -1.8144E+02  2.2256E+03
OH            3584    0.000000   -0.683000
  1.8174E+01  1.7230E+01  1.6262E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3585    1.008000    0.418000
  1.8967E+01  1.7561E+01  1.5869E+01
  1.8145E+01 -1.9453E+01  1.7681E+01
 -8.8050E+02 -1.8565E+03 -7.6582E+02
HC            3586    1.008000    0.040000
  1.8763E+01  1.5257E+01  1.6494E+01
  1.7929E+01  1.4782E+01 -9.6064E+00
  1.5707E+03  2.1041E+03  7.9073E+01
HC            3587    1.008000    0.040000
  1.8317E+01  1.5659E+01  1.4840E+01
 -6.3467E+00 -2.7530E+00 -6.4998E+00
 -8.0174E+02  7.1233E+02 -3.9762E+01
HC            3588    1.008000    0.040000
  1.7104E+01  1.5514E+01  1.6146E+01
  1.2640E+00 -7.0670E-01 -8.7310E+00
 -5.7237E+02 -1.2188E+02 -1.7434E+03
CT            3589   12.011000    0.145000
  1.1580E+01  1.4900E+01  1.2361E+01
 -8.6262E+00  5.2374E+00  1.0212E+01
  2.3159E+03 -3.8478E+03 -4.1325E+03
OH            3590    0.000000   -0.683000
  1.0570E+01  1.4009E+01  1.1945E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3591    1.008000    0.418000
  9.9202E+00  1.4071E+01  1.2629E+01
 -7.4594E-01 -2.2657E+01  2.1103E+00
 -4.7572E+02 -3.4240E+02 -1.1571E+03
HC            3592    1.008000    0.040000
  1.2392E+01  1.4755E+01  1.1649E+01
 -2.7387E+01  2.0525E+01 -1.6091E+01
 -1.2826E+03  2.4843E+02 -5.7010E+02
HC            3593    1.008000    0.040000
  1.2032E+01  1.4666E+01  1.3324E+01
 -4.8759E-01  1.5169E+01  8.9794E+00
 -2.3368E+03  2.5298E+03  1.3506E+03
HC            3594    1.008000    0.040000
  1.1285E+01  1.5927E+01  1.2146E+01
  2.7538E+01  1.5117E+01  9.0977E-01
  2.6195E+03  9.4968E+01  4.7874E+03
CT            3595   12.011000    0.145000
 -6.9463E+00 -1.7366E+01  2.1145E+00
 -4.4299E-01 -3.8547E+00  5.7595E+00
 -4.4008E+03 -6.5876E+03 -1.0487E+03
OH            3596    0.000000   -0.683000
 -5.8328E+00 -1.8119E+01  1.6881E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3597    1.008000    0.418000
 -5.4083E+00 -1.8395E+01  2.4857E+00
  3.8289E+00  1.2073E+01  2.3554E+00
  4.1177E+02 -8.5719E+02 -7.8309E+02
HC            3598    1.008000    0.040000
 -6.9660E+00 -1.6287E+01  1.9614E+00
  8.2964E-01 -9.9712E-01  2.3599E+01
  1.6269E+03 -5.4247E+02  1.2660E+03
HC            3599    1.008000    0.040000
 -7.2508E+00 -1.7688E+01  3.1104E+00
 -4.9682E+00  2.3311E-01  5.7337E+00
  2.3478E+03  3.1014E+03  1.8466E+03
HC            3600    1.008000    0.040000
 -7.8652E+00 -1.7816E+01  1.7382E+00
  3.1320E+00 -2.9441E+01  2.4861E+01
  1.9001E+03  7.8893E+02 -3.4178E+03
CT            3601   12.011000    0.145000
  6.6526E+00 -1.6514E+00  1.0296E+01
 -6.9949E-01  2.9250E+00  1.2242E+00
  2.8746E+01  3.5101E+03  6.8041E+02
OH            3602    0.000000   -0.683000
  7.6532E+00 -1.8251E+00  1.1274E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3603    1.008000    0.418000
  7.2880E+00 -2.1164E+00  1.2095E+01
 -1.5734E+01  1.5314E+01 -9.7625E-01
 -9.8058E+02  3.2629E+03  4.1623E+02
HC            3604    1.008000    0.040000
  5.8033E+00 -2.3341E+00  1.0270E+01
  8.3051E+00 -8.3466E+00 -1.3455E+01
  2.4699E+03 -2.4468E+03 -4.8656E+02
HC            3605    1.008000    0.040000
  7.3224E+00 -1.7267E+00  9.4389E+00
 -1.3383E+01  1.3768E+01 -1.0123E+01
 -5.0333E+03  1.6314E+02 -3.7923E+03
HC            3606    1.008000    0.040000
  6.2428E+00 -6.4178E-01  1.0326E+01
  2.1283E+01  1.2194E+01  1.8278E+01
  1.8113E+03  3.3799E+02  4.6355E+02
CT            3607   12.011000    0.145000
 -1.7208E+01 -7.1696E+00  1.3109E+01
 -1.6450E+00  4.6498E-03  1.8273E+00
 -2.2571E+03  2.2092E+03 -3.7707E+03
OH            3608    0.000000   -0.683000
 -1.7708E+01 -8.4087E+00  1.2659E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3609    1.008000    0.418000
 -1.8467E+01 -8.4881E+00  1.3215E+01
 -1.7275E+01  2.6139E+01 -1.7551E+01
  1.5814E+03 -2.7309E+03 -1.1696E+03
HC            3610    1.008000    0.040000
 -1.8087E+01 -6.5509E+00  1.3285E+01
 -1.7778E+01 -1.1526E+01 -3.0252E+01
  3.8311E+02 -3.3240E+02 -2.3953E+03
HC            3611    1.008000    0.040000
 -1.6716E+01 -6.6393E+00  1.2293E+01
 -3.3490E+01  4.2533E+01  6.8109E+00
 -3.8476E+02 -1.0158E+02  2.8737E+03
HC            3612    1.008000    0.040000
 -1.6696E+01 -7.1021E+00  1.4069E+01
 -1.2607E+01 -1.3848E+01  9.0262E+00
  1.4176E+03 -3.4790E+03 -1.2219E+03
CT            3613   12.011000    0.145000
 -1.5864E+01 -1.2153E+01  1.5415E+01
  4.0883E+00  3.3659E+00  1.5652E+00
  4.2076E+03  2.5459E+03 -5.8687E+02
OH            3614    0.000000   -0.683000
 -1.5076E+01 -1.3274E+01  1.5746E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3615    1.008000    0.418000
 -1.4849E+01 -1.3211E+01  1.6661E+01
  1.3572E+01 -1.1897E+01 -2.1780E+00
  1.7586E+03 -2.8767E+03 -3.6899E+02
HC            3616    1.008000    0.040000
 -1.6936E+01 -1.2325E+01  1.5314E+01
  8.3450E+00 -1.5688E+01 -1.8964E+01
  1.4908E+03 -3.9176E+03  1.0275E+02
HC            3617    1.008000    0.040000
 -1.5613E+01 -1.1778E+01  1.4423E+01
 -1.6335E+01 -2.1235E+01 -1.4181E+01
 -4.0309E+01 -1.1913E+03  4.7720E+02
HC            3618    1.008000    0.040000
 -1.5639E+01 -1.1375E+01  1.6145E+01
  2.4386E+01 -1.1066E+01  1.1653E+01
 -1.5274E+02 -6.8116E+02  8.2362E+01
CT            3619   12.011000    0.145000
  1.5276E+00  1.4002E+01 -6.5461E-02
 -2.4201E+00  8.4829E-02 -1.9007E-01
 -9.6280E+02 -1.5057E+03  4.5001E+02
OH            3620    0.000000   -0.683000
  1.6163E+00  1.3509E+01 -1.3837E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3621    1.008000    0.418000
  2.1018E+00  1.2700E+01 -1.4265E+00
  1.2924E+01  7.9169E+00 -1.1723E+01
 -6.8625E+02  1.2366E+02  3.0403E+03
HC            3622    1.008000    0.040000
  8.4982E-01  1.3275E+01  3.8286E-01
  1.0420E+01  2.9991E+00  2.5843E+01
  3.8426E+02  2.2109E+03  3.4429E+03
HC            3623    1.008000    0.040000
  1.1774E+00  1.5034E+01 -9.0107E-02
  1.2749E+01  5.5522E+00  2.3275E+00
 -1.1229E+03 -7.8889E+02  9.6691E+02
HC            3624    1.008000    0.040000
  2.4910E+00  1.3968E+01  4.4326E-01
 -1.3060E+00 -1.4165E+01 -2.8351E+00
 -3.9694E+02 -7.0071E+02  2.3511E+02
CT            3625   12.011000    0.145000
  1.0516E+01  1.7295E+00  1.1223E+01
  4.0522E-01  5.7622E+00 -2.0972E+00
  3.9425E+02  1.1206E+03 -4.0446E+02
OH            3626    0.000000   -0.683000
  1.1886E+01  1.5296E+00  1.0956E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3627    1.008000    0.418000
  1.2143E+01  7.0920E-01  1.1348E+01
  1.1745E+01  2.0366E+00 -3.0481E+00
  1.7647E+03  1.0570E+03  8.4688E+02
HC            3628    1.008000    0.040000
  1.0135E+01  7.0934E-01  1.1273E+01
  4.9643E+00  4.4497E+00  8.4902E+00
 -2.7877E+03  1.3713E+03  1.5243E+03
HC            3629    1.008000    0.040000
  9.9378E+00  2.3466E+00  1.0535E+01
 -8.3876E-01  1.2113E+01  4.5179E+00
  1.9847E+03 -1.5366E+03 -2.7888E+03
HC            3630    1.008000    0.040000
  1.0308E+01  2.3721E+00  1.2078E+01
 -1.4526E+01  1.3840E+01 -1.1344E+01
  2.1538E+03 -3.6995E+03  2.4325E+03
CT            3631   12.011000    0.145000
 -1.0550E+01  1.0368E+01  1.8254E+01
 -1.6848E-01 -1.9273E+00 -2.1515E+00
 -3.2630E+02 -2.0019E+03 -2.0487E+03
OH            3632    0.000000   -0.683000
 -1.1684E+01  1.1037E+01  1.7748E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3633    1.008000    0.418000
 -1.1804E+01  1.1829E+01  1.8249E+01
  3.4541E+00 -3.9476E+00  7.2333E+00
  3.6930E+01 -1.3067E+03  2.0527E+03
HC            3634    1.008000    0.040000
 -9.9996E+00  1.0101E+01  1.7352E+01
  2.0109E+01  1.6292E+00  8.5784E+00
  2.5311E+03 -2.3518E+02  1.7159E+03
HC            3635    1.008000    0.040000
 -1.0911E+01  9.4598E+00  1.8736E+01
 -1.2599E+01  4.0207E+00  1.6255E-01
  1.0043E+03  4.7615E+02  1.3448E+03
HC            3636    1.008000    0.040000
 -9.9644E+00  1.1016E+01  1.8906E+01
  1.8760E+00 -2.9388E+00 -2.9741E+00
  6.6304E+02 -7.2230E+02 -2.4042E+02
CT            3637   12.011000    0.145000
 -1.1719E+01  1.4547E+01  1.9750E+01
  2.6840E+00 -5.5305E-01 -3.9015E+00
 -1.3935E+03  2.9169E+02 -2.4040E+02
OH            3638    0.000000   -0.683000
 -1.2180E+01  1.3220E+01  1.9627E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3639    1.008000    0.418000
 -1.2430E+01  1.2993E+01 -2.0390E+01
  1.7195E+00 -2.2507E+01 -4.6880E+00
 -1.7729E+03 -2.2709E+03 -1.4650E+03
HC            3640    1.008000    0.040000
 -1.2482E+01  1.5310E+01  1.9904E+01
  2.3501E+01  2.1395E+01 -3.7019E+00
 -3.8741E+02 -1.7664E+03  3.2002E+02
HC            3641    1.008000    0.040000
 -1.1180E+01  1.4920E+01  1.8880E+01
  8.6254E+00 -2.1194E+01 -9.6477E+00
  5.3019E+02 -2.1627E+03 -2.0363E+02
HC            3642    1.008000    0.040000
 -1.1140E+01  1.4642E+01 -2.0231E+01
 -9.4161E+00 -2.1012E+01  6.5799E+00
  8.1114E+02 -1.1186E+03 -1.2369E+03
CT            3643   12.011000    0.145000
  1.7242E+01 -7.2172E+00  4.0995E+00
 -1.0248E+01 -1.1714E+00 -2.4200E+00
 -1.3469E+03 -1.1462E+03 -1.3722E+03
OH            3644    0.000000   -0.683000
  1.7558E+01 -7.0663E+00  2.7337E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3645    1.008000    0.418000
  1.6714E+01 -7.1741E+00  2.3242E+00
  2.6789E+00  6.5478E+00 -7.5120E+00
  2.3830E+03  1.5328E+03 -5.4348E+03
HC            3646    1.008000    0.040000
  1.6787E+01 -8.1970E+00  4.2429E+00
  2.5698E+00 -1.2393E+01 -3.0746E+01
  1.9922E+03 -1.3284E+02 -4.1689E+02
HC            3647    1.008000    0.040000
  1.6484E+01 -6.4902E+00  4.3910E+00
  2.4422E-01  7.0429E+00  5.1775E+00
  1.8429E+03  1.4197E+03  8.8393E+02
HC            3648    1.008000    0.040000
  1.8161E+01 -7.1199E+00  4.6771E+00
 -1.8444E+01 -2.3417E+00  1.1265E+01
 -1.3269E+03  3.8468E+02  1.4918E+03
CT            3649   12.011000    0.145000
 -1.9967E+00  1.0990E+01  9.8108E+00
  3.7682E+00  4.0598E+00  1.8942E+00
  3.9599E+03  4.7092E+03  1.8915E+03
OH            3650    0.000000   -0.683000
 -1.7531E+00  1.1378E+01  8.4772E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3651    1.008000    0.418000
 -8.5942E-01  1.1676E+01  8.4032E+00
  2.5398E+00 -9.8051E+00 -1.2243E+01
 -1.1068E+02 -3.9636E+02  1.0186E+03
HC            3652    1.008000    0.040000
 -1.5872E+00  1.1733E+01  1.0495E+01
 -1.0031E+01 -2.5702E+00  1.8066E+01
  3.2999E+02  1.6462E+02 -3.6066E+02
HC            3653    1.008000    0.040000
 -1.4576E+00  1.0080E+01  1.0074E+01
 -1.4436E+01 -1.3322E+00  2.3725E+01
 -2.0719E+03 -2.1538E+02  5.7070E+02
HC            3654    1.008000    0.040000
 -3.0458E+00  1.1035E+01  1.0103E+01
  5.7657E+00  6.5229E+00  8.8896E+00
  3.3617E+01 -3.1685E+03 -8.9738E+02
CT            3655   12.011000    0.145000
  9.3132E+00  9.2971E+00  2.1542E+00
 -3.3198E-01 -7.4128E-01 -6.2553E-01
 -1.4033E+03 -8.5098E+01  2.2859E+03
OH            3656    0.000000   -0.683000
  8.3612E+00  1.0184E+01  1.6105E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3657    1.008000    0.418000
  7.6034E+00  1.0358E+01  2.1476E+00
 -9.0969E+00 -2.7047E+01 -2.5546E+00
  2.6435E+03 -5.0282E+02  2.1880E+03
HC            3658    1.008000    0.040000
  9.3709E+00  8.3437E+00  1.6291E+00
  1.7485E+01  4.3147E-01 -1.4074E+00
 -5.8703E+02  3.1792E+02  2.2552E+02
HC            3659    1.008000    0.040000
  9.0321E+00  9.1595E+00  3.1983E+00
 -1.5659E+01  2.2800E+01 -8.9428E-01
  1.1267E+03  7.4073E+01 -2.9294E+02
HC            3660    1.008000    0.040000
  1.0299E+01  9.7539E+00  2.0631E+00
 -5.1531E+00  9.8266E+00 -1.2695E+00
 -9.2808E+01 -2.7184E+02  7.8570E+02
CT            3661   12.011000    0.145000
  8.3834E+00 -2.3305E+00 -1.7269E+00
  2.7552E+00 -2.0071E+00  1.4952E+00
 -4.8122E+02 -2.2306E+03 -1.2826E+03
OH            3662    0.000000   -0.683000
  9.2242E+00 -1.9682E+00 -2.7992E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3663    1.008000    0.418000
  9.4089E+00 -1.1007E+00 -2.4731E+00
 -9.6911E+00  4.4868E+00 -5.9894E+00
  1.2802E+03  9.5354E+02 -3.6531E+03
HC            3664    1.008000    0.040000
  8.8862E+00 -2.0934E+00 -7.8930E-01
  8.9473E+00 -1.8241E+01  2.6027E+00
 -4.1934E+02 -2.5060E+03  4.9705E+02
HC            3665    1.008000    0.040000
  7.9980E+00 -3.3456E+00 -1.8222E+00
 -1.6284E+01  4.7673E+00  2.0542E+00
  1.0765E+03 -3.2137E+02  2.1366E+03
HC            3666    1.008000    0.040000
  7.4919E+00 -1.7047E+00 -1.7685E+00
  1.3629E+01  1.4426E+01  5.8481E+00
 -1.0295E+03 -2.5560E+03  2.6619E+02
CT            3667   12.011000    0.145000
  2.0127E+01  8.6967E+00 -6.5408E+00
  1.7022E+00 -8.9919E+00  2.6685E+00
 -8.6821E+02  2.3144E+03  1.1167E+03
OH            3668    0.000000   -0.683000
 -1.9768E+01  9.1568E+00 -5.6654E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3669    1.008000    0.418000
 -1.9333E+01  9.8499E+00 -6.1378E+00
  5.3358E+00 -8.0676E+00 -7.2264E+00
  2.4485E+02  7.3869E+02  1.7852E+03
HC            3670    1.008000    0.040000
  1.9357E+01  8.2282E+00 -5.9274E+00
  1.0803E+01 -6.9374E+00  1.6092E+01
  3.1307E+02 -1.5732E+03 -1.3563E+03
HC            3671    1.008000    0.040000
 -2.0419E+01  8.0960E+00 -7.3787E+00
 -2.5179E+00 -7.1191E+00 -4.9343E-01
  6.7007E+01 -9.3819E+02  1.0345E+03
HC            3672    1.008000    0.040000
  1.9696E+01  9.5842E+00 -7.0042E+00
  2.5789E+00 -1.4905E+01 -9.8868E+00
 -8.2654E+02 -5.3640E+02 -2.4724E+02
CT            3673   12.011000    0.145000
  9.9822E-01 -2.0338E+01  1.3098E+01
 -3.5701E+00 -6.4796E+00 -6.4001E-01
 -2.4725E+03 -3.7818E+03  4.9533E+02
OH            3674    0.000000   -0.683000
  1.8130E+00  2.0021E+01  1.4114E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3675    1.008000    0.418000
  2.0832E+00  1.9237E+01  1.3662E+01
  2.7130E+01 -7.2662E+00  2.5622E+01
  2.4195E+03 -2.1809E+03  6.4911E+03
HC            3676    1.008000    0.040000
  1.5953E+00  2.0318E+01  1.2219E+01
  2.1797E+00  1.3939E+01 -2.9101E+00
 -7.4653E+02  4.8085E+03 -1.6364E+03
HC            3677    1.008000    0.040000
  6.3015E-01 -1.9317E+01  1.3203E+01
  2.5230E+00 -2.5872E+00 -1.4735E+01
  2.4912E+03  7.0015E+02 -1.4295E+03
HC            3678    1.008000    0.040000
  9.0670E-02  1.9966E+01  1.3004E+01
 -8.2090E+00 -1.9101E-01  3.4358E+00
 -3.5781E+02 -6.7321E+01  5.6125E+02
CT            3679   12.011000    0.145000
  7.8953E+00 -8.3645E+00  9.5803E+00
  7.2263E+00 -3.4441E-01  7.9922E-01
  1.5676E+03  1.7050E+03 -6.9500E+02
OH            3680    0.000000   -0.683000
  7.8082E+00 -7.4863E+00  1.0680E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3681    1.008000    0.418000
  6.9461E+00 -7.1224E+00  1.0812E+01
  6.6813E+00  1.4789E+01  5.0403E+00
  2.2590E+02 -1.9130E+02 -2.8892E+02
HC            3682    1.008000    0.040000
  7.4487E+00 -8.0070E+00  8.6524E+00
 -2.4360E+01 -1.5518E+01  8.7639E+00
 -2.3057E+03  4.2649E+02  2.2581E+03
HC            3683    1.008000    0.040000
  7.4609E+00 -9.3394E+00  9.8013E+00
  7.1733E+00  2.7823E+00  1.5514E+01
 -2.8996E+02  6.1876E+02  2.9666E+02
HC            3684    1.008000    0.040000
  8.8927E+00 -8.4704E+00  9.1536E+00
 -4.3508E+00  1.5069E+01 -3.3756E+01
 -7.1072E+02 -9.7633E+02  3.0968E+03
CT            3685   12.011000    0.145000
  1.7295E+01  7.2628E+00 -1.9890E+01
  8.9156E-01 -3.8214E+00 -3.5808E+00
 -2.0229E+03  5.2192E+03  4.2804E+03
OH            3686    0.000000   -0.683000
  1.6280E+01  6.4810E+00 -1.9300E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3687    1.008000    0.418000
  1.5444E+01  6.9117E+00 -1.9393E+01
 -7.1631E+00 -1.5399E+01 -1.1481E+01
  5.6171E+02  1.8479E+02  1.4031E+03
HC            3688    1.008000    0.040000
  1.8325E+01  6.9595E+00 -1.9703E+01
  8.0437E+00  1.4243E+01 -1.1332E+01
 -1.2346E+03 -3.0804E+03 -3.0609E+03
HC            3689    1.008000    0.040000
  1.7393E+01  8.1993E+00 -1.9341E+01
 -2.0658E+01 -1.0840E+01  1.3726E+01
 -3.0286E+03 -1.5436E+02  9.0421E+02
HC            3690    1.008000    0.040000
  1.6993E+01  7.5801E+00  2.0012E+01
  3.2400E-01 -1.7494E+01 -7.9625E+00
  2.8298E+03 -2.2395E+03 -1.3228E+03
CT            3691   12.011000    0.145000
 -1.5401E+01 -1.0597E+01  8.4096E+00
 -2.2791E+00 -1.3397E+00 -1.2565E+00
 -1.2107E+03 -6.3996E+02 -1.9190E+03
OH            3692    0.000000   -0.683000
 -1.4633E+01 -1.1772E+01  8.2751E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3693    1.008000    0.418000
 -1.4259E+01 -1.1930E+01  9.1285E+00
  5.2750E+00  1.2490E+01  2.2817E-01
 -1.5908E+03 -1.3106E+03  1.0956E+02
HC            3694    1.008000    0.040000
 -1.6198E+01 -1.0640E+01  7.6668E+00
  3.7795E+00  1.4616E+01 -9.1626E+00
 -1.5885E+02  1.2277E+03  2.1801E+02
HC            3695    1.008000    0.040000
 -1.4740E+01 -9.7549E+00  8.2065E+00
 -1.1309E+01  1.5310E+01  3.1348E+01
 -2.1502E+03  1.1299E+03  2.6828E+03
HC            3696    1.008000    0.040000
 -1.5805E+01 -1.0647E+01  9.4207E+00
  5.2859E+00 -7.9437E+00  1.5465E+00
  3.3427E+02  3.0011E+03 -2.7721E+01
CT            3697   12.011000    0.145000
  1.4574E+01 -9.3648E+00 -1.4098E+01
  1.9776E-01  1.5636E+00  7.1658E-02
  2.8745E+02  2.3644E+03  1.3447E+02
OH            3698    0.000000   -0.683000
  1.5414E+01 -9.5240E+00 -1.2976E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3699    1.008000    0.418000
  1.6304E+01 -9.2572E+00 -1.3148E+01
 -5.2858E+00  7.8829E+00 -1.7438E+01
 -3.5829E+02 -1.1522E+03 -1.8652E+03
HC            3700    1.008000    0.040000
  1.4917E+01 -9.9829E+00 -1.4928E+01
  2.7452E+00 -1.2930E+01  1.1501E+01
  3.5902E+02  1.5337E+03 -3.1157E+02
HC            3701    1.008000    0.040000
  1.4609E+01 -8.2784E+00 -1.4178E+01
 -1.1109E+01  3.2111E+00  1.3568E+01
 -1.0805E+03 -5.1752E+02 -3.8034E+03
HC            3702    1.008000    0.040000
  1.3542E+01 -9.6464E+00 -1.3888E+01
 -1.5327E+00 -2.7884E+00 -1.3305E+01
  2.2746E+02 -2.1007E+01 -1.8713E+02
CT            3703   12.011000    0.145000
 -1.3719E+01  4.7027E+00  1.1101E+01
  5.3194E+00  5.3305E+00 -2.0840E+00
  9.2373E+02 -9.1389E+01 -6.0162E+01
OH            3704    0.000000   -0.683000
 -1.2912E+01  4.3121E+00  1.2190E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3705    1.008000    0.418000
 -1.2532E+01  3.4520E+00  1.2097E+01
 -8.7474E+00 -3.0979E+00 -8.8415E+00
 -3.0036E+02  1.8440E+02 -1.8619E+03
HC            3706    1.008000    0.040000
 -1.3509E+01  4.1838E+00  1.0166E+01
 -7.4276E+00  1.1870E+01 -8.8307E+00
  6.7241E+02 -6.4532E+02  8.2925E+02
HC            3707    1.008000    0.040000
 -1.3592E+01  5.7229E+00  1.0739E+01
  5.9366E+00  5.5115E+00 -1.3623E+00
  1.3912E+03  8.0073E+02  2.7523E+03
HC            3708    1.008000    0.040000
 -1.4794E+01  4.6347E+00  1.1262E+01
  6.1735E+00  1.6532E+01  1.0096E+01
  7.1378E+02 -1.5581E+03  1.9754E+03
CT            3709   12.011000    0.145000
 -7.1612E+00 -1.6607E+01 -4.0685E+00
  2.6765E+00  7.5957E-01 -2.5000E+00
  8.2762E+02  1.4288E+03  2.9307E+02
OH            3710    0.000000   -0.683000
 -8.0731E+00 -1.5818E+01 -4.7995E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3711    1.008000    0.418000
 -8.5193E+00 -1.6385E+01 -5.4102E+00
 -9.5394E-01  9.8334E+00 -8.7076E+00
  1.6146E+03 -1.3203E+03  4.6795E+02
HC            3712    1.008000    0.040000
 -7.6664E+00 -1.7240E+01 -3.3390E+00
  9.6070E+00 -3.4516E-01  1.4294E+00
  5.1420E+01 -2.2291E+03 -2.1779E+03
HC            3713    1.008000    0.040000
 -6.5162E+00 -1.5984E+01 -3.4492E+00
  1.3716E+00  6.2968E+00 -6.6350E+00
  3.3663E+02  1.1109E+03 -1.2726E+03
HC            3714    1.008000    0.040000
 -6.5836E+00 -1.7139E+01 -4.8250E+00
 -5.7806E+00 -1.9169E+01  4.3578E+00
  4.5817E+02 -2.3538E+03  2.4466E+03
CT            3715   12.011000    0.145000
  1.2616E+01 -9.8950E+00  3.3396E+00
  1.7905E+00  1.8816E+00  3.1157E+00
 -5.0848E+02  1.6385E+03  1.0175E+03
OH            3716    0.000000   -0.683000
  1.3264E+01 -9.0259E+00  2.4375E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3717    1.008000    0.418000
  1.2926E+01 -8.1636E+00  2.6255E+00
 -4.6569E+00  1.0493E+00 -1.2260E+01
  2.4213E+03  7.6943E+02 -3.1751E+02
HC            3718    1.008000    0.040000
  1.2798E+01 -9.5260E+00  4.3491E+00
 -6.2718E+00 -2.1047E+00  6.1107E+00
 -1.1296E+03 -3.7890E+01  2.9263E+02
HC            3719    1.008000    0.040000
  1.2957E+01 -1.0930E+01  3.3337E+00
  6.1281E+00  3.2832E+00 -3.7572E+00
  1.3127E+02  2.2431E+02 -1.8668E+03
HC            3720    1.008000    0.040000
  1.1547E+01 -9.8517E+00  3.1328E+00
 -1.0594E+00 -2.9395E+00  1.5897E+01
 -2.1121E+02 -7.7712E+02  1.3340E+03
CT            3721   12.011000    0.145000
  5.2625E+00  9.1755E+00 -8.8166E+00
  8.5385E-01 -2.8152E+00 -1.5000E+00
  2.0032E+03 -5.6736E+03 -4.1426E+03
OH            3722    0.000000   -0.683000
  6.6184E+00  9.4400E+00 -8.5339E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3723    1.008000    0.418000
  6.9430E+00  9.9180E+00 -9.2816E+00
 -1.9838E+01 -5.0627E-01 -9.5873E+00
 -9.0054E+02 -8.2917E+02 -3.7918E+02
HC            3724    1.008000    0.040000
  4.7833E+00  1.0049E+01 -9.2580E+00
  4.6440E+00  2.6528E+00  5.0127E+00
 -9.6276E+02 -3.6082E+02  1.2619E+03
HC            3725    1.008000    0.040000
  4.7093E+00  8.6902E+00 -8.0124E+00
 -3.9056E+00 -1.5584E+00 -3.9781E+00
 -1.9880E+02  2.9043E+03  1.3746E+03
HC            3726    1.008000    0.040000
  5.3349E+00  8.3989E+00 -9.5780E+00
  4.3708E+01  1.9390E+01 -2.3782E+01
  1.0146E+02  3.0223E+03 -5.6769E+02
CT            3727   12.011000    0.145000
  9.6108E+00 -2.7018E+00  6.5298E+00
 -6.6638E-02  9.8020E+00 -1.5620E+00
  1.4034E+03  3.2054E+03 -2.2682E+03
OH            3728    0.000000   -0.683000
  1.0940E+01 -2.6289E+00  6.9939E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3729    1.008000    0.418000
  1.0816E+01 -2.5593E+00  7.9281E+00
  2.8590E+01  3.9575E+01  3.4319E+00
  1.6467E+03  1.2346E+03 -2.0952E+03
HC            3730    1.008000    0.040000
  8.8788E+00 -3.1754E+00  7.1840E+00
  1.0572E+01 -2.6670E+01 -1.3630E+01
  1.9615E+03 -1.9281E+03 -1.4903E+03
HC            3731    1.008000    0.040000
  9.7318E+00 -3.2526E+00  5.5970E+00
 -1.5012E+01  1.6895E+01 -8.0261E+00
 -3.9393E+03  1.4537E+03 -1.3627E+03
HC            3732    1.008000    0.040000
  9.4091E+00 -1.6320E+00  6.4775E+00
  7.4911E+00  1.1312E+01 -9.6909E-01
 -2.2316E+03 -5.1794E+02 -3.7526E+03
CT            3733   12.011000    0.145000
  5.7198E+00 -7.1230E+00  1.5635E+01
  9.3550E-01 -5.9314E-02 -1.4489E+00
 -4.7061E+03  1.9692E+02 -2.5759E+03
OH            3734    0.000000   -0.683000
  5.6453E+00 -8.5310E+00  1.5647E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3735    1.008000    0.418000
  5.7630E+00 -8.7717E+00  1.6553E+01
  3.3644E+01  4.1071E+00 -2.0073E+00
  1.3073E+01  1.2232E+03 -9.3198E+02
HC            3736    1.008000    0.040000
  6.6851E+00 -6.7304E+00  1.5955E+01
 -2.1617E+00 -6.6989E+00  1.7328E+01
 -1.1433E+03 -8.4117E+01  1.2515E+03
HC            3737    1.008000    0.040000
  4.8739E+00 -6.8037E+00  1.6244E+01
  3.1969E+00 -1.9315E+01  1.2741E+01
  2.4302E+03  9.5134E+02  2.3781E+03
HC            3738    1.008000    0.040000
  5.4890E+00 -6.7030E+00  1.4656E+01
  2.8001E+01  1.2057E+01 -3.5346E+00
  1.9238E+03 -1.1082E+03 -5.2526E+02
CT            3739   12.011000    0.145000
 -1.3201E+01  8.9724E+00  1.5557E+01
  2.2455E+00 -1.9764E-01  1.3466E+00
  4.1468E+03 -3.2046E+02  2.5629E+03
OH            3740    0.000000   -0.683000
 -1.2977E+01  1.0353E+01  1.5380E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3741    1.008000    0.418000
 -1.2780E+01  1.0727E+01  1.6225E+01
 -8.3787E+00  1.1195E+01 -2.7521E+00
  1.4329E+03 -1.6025E+03 -2.0804E+01
HC            3742    1.008000    0.040000
 -1.3199E+01  8.5863E+00  1.4537E+01
 -1.6963E+01  7.4526E+00 -2.0212E+00
 -3.8067E+03 -2.0999E+03  1.2324E+03
HC            3743    1.008000    0.040000
 -1.4133E+01  8.9050E+00  1.6118E+01
 -1.2977E+01 -1.5648E+01 -2.3823E+01
 -5.7022E+02 -3.1348E+03 -2.7591E+03
HC            3744    1.008000    0.040000
 -1.2449E+01  8.5132E+00  1.6197E+01
 -2.8253E+01  4.3563E+00  4.4905E+01
 -1.7102E+03  1.1988E+03 -8.5433E+02
CT            3745   12.011000    0.145000
  1.0081E+01  6.4596E+00 -6.5650E-01
 -4.1989E+00 -1.5414E+00 -6.4733E+00
 -7.4677E+03 -1.5891E+03 -9.2856E+03
OH            3746    0.000000   -0.683000
  9.3363E+00  5.5032E+00  6.3794E-02
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3747    1.008000    0.418000
  9.7200E+00  5.5271E+00  9.2709E-01
  1.1821E+01  1.7023E+01 -5.1949E+00
  5.8637E+02  1.8606E+02 -7.3641E+02
HC            3748    1.008000    0.040000
  1.0671E+01  7.2029E+00 -1.2031E-01
  2.5629E+00 -6.6404E+00 -6.7130E+00
  7.6381E+02 -1.1272E+03 -9.6956E+02
HC            3749    1.008000    0.040000
  9.3164E+00  6.9182E+00 -1.2837E+00
  8.3274E+00 -6.8353E+00 -2.6550E+01
  4.3134E+02  3.5304E+03  2.0235E+03
HC            3750    1.008000    0.040000
  1.0468E+01  5.9438E+00 -1.5354E+00
  1.3978E+01 -6.7933E-01  5.8405E-01
  6.5488E+03  1.0538E+03  1.5758E+03
CT            3751   12.011000    0.145000
 -1.0364E+01  1.2321E+01  2.5908E+00
 -8.1794E+00  6.3998E+00 -6.9377E+00
  2.5754E+03 -9.9573E+01 -8.3125E+02
OH            3752    0.000000   -0.683000
 -1.0003E+01  1.1544E+01  1.4708E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3753    1.008000    0.418000
 -9.1993E+00  1.1097E+01  1.6887E+00
  3.9591E+00  1.3086E+01  1.3993E+01
 -9.9542E+02 -1.1030E+02  2.0562E+03
HC            3754    1.008000    0.040000
 -1.0941E+01  1.3236E+01  2.4614E+00
  1.3042E+01  2.0978E+01 -3.6601E+00
  2.0981E+02 -1.3194E+03 -3.0192E+03
HC            3755    1.008000    0.040000
 -9.4557E+00  1.2722E+01  3.0392E+00
 -6.6770E+00 -7.0688E+00  2.7076E+00
  4.1485E+02 -6.8217E+02 -4.4150E+02
HC            3756    1.008000    0.040000
 -1.0861E+01  1.1771E+01  3.3904E+00
 -1.0912E+01 -1.6956E+01 -2.3649E+01
  9.7343E+02 -2.4241E+03 -1.9080E+03
CT            3757   12.011000    0.145000
  1.8267E+01  7.2489E+00  1.6743E+01
 -7.6279E+00 -4.4519E+00 -3.9907E+00
 -9.2725E+02  3.1891E+02 -1.8371E+03
OH            3758    0.000000   -0.683000
  1.7575E+01  8.4771E+00  1.6719E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3759    1.008000    0.418000
  1.8226E+01  9.1182E+00  1.6479E+01
 -4.0654E+00 -4.3144E+00 -2.5344E+01
 -2.8991E+03  2.0681E+03  9.8191E+02
HC            3760    1.008000    0.040000
  1.8293E+01  6.8660E+00  1.5723E+01
  2.9436E+00 -1.2564E+01 -8.6400E-01
  2.8940E+02 -1.0428E+03  3.8871E+02
HC            3761    1.008000    0.040000
  1.7861E+01  6.4853E+00  1.7407E+01
  8.1993E+00 -1.3939E+01 -4.7155E+00
 -1.1513E+02  3.5304E+02 -3.4138E+02
HC            3762    1.008000    0.040000
  1.9301E+01  7.4279E+00  1.7039E+01
 -1.5885E+01  4.1300E+00  2.2495E+01
 -1.0822E+03 -7.9853E+02  1.5886E+03
CT            3763   12.011000    0.145000
 -1.4521E+01  9.7682E+00 -8.0967E+00
 -4.1871E+00 -2.1499E+00 -1.9683E+00
 -7.1300E+03  6.4818E+02 -1.0792E+03
OH            3764    0.000000   -0.683000
 -1.4793E+01  9.1674E+00 -6.8503E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3765    1.008000    0.418000
 -1.4369E+01  9.7585E+00 -6.2469E+00
  1.5321E+01  3.1448E+00 -1.3144E+01
  6.5752E+02 -2.2579E+03  9.6700E+02
HC            3766    1.008000    0.040000
 -1.3515E+01  1.0041E+01 -8.4135E+00
  5.8574E+00 -5.2232E+00  2.4703E+01
  4.8281E+02 -2.5521E+03  2.6477E+03
HC            3767    1.008000    0.040000
 -1.5089E+01  1.0695E+01 -8.0171E+00
  1.9418E+00  8.5108E-01  8.8492E+00
  5.2985E+02  6.5069E+02 -1.4359E+03
HC            3768    1.008000    0.040000
 -1.5080E+01  9.1406E+00 -8.7909E+00
 -1.4443E+01  1.6444E+01 -1.1300E+01
  1.8906E+03  1.0847E+03 -2.2918E+03
CT            3769   12.011000    0.145000
  1.7400E+01 -1.1087E+01 -1.7832E+01
 -1.0648E+00  2.1255E+00  1.7787E+00
  3.9261E+03  1.2564E+03 -2.8080E+03
OH            3770    0.000000   -0.683000
  1.6552E+01 -1.0647E+01 -1.8869E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3771    1.008000    0.418000
  1.6776E+01 -9.8545E+00 -1.9332E+01
 -1.4905E+01 -8.6697E+00 -2.3955E+01
  2.0937E+03 -9.0091E+02  2.0298E+03
HC            3772    1.008000    0.040000
  1.8442E+01 -1.1178E+01 -1.8136E+01
  1.4909E+01 -3.9195E-01  4.9116E+01
 -1.6121E+03 -2.8295E+01  1.0687E+03
HC            3773    1.008000    0.040000
  1.7061E+01 -1.2086E+01 -1.7559E+01
 -3.4052E+00 -3.1505E+00 -1.8752E+01
  7.0956E+02  1.0866E+03  1.5042E+03
HC            3774    1.008000    0.040000
  1.7488E+01 -1.0354E+01 -1.7030E+01
 -8.2949E+00  6.4277E+00 -1.2563E+00
 -2.0427E+03 -1.0887E+03  1.0354E+03
CT            3775   12.011000    0.145000
 -8.0065E+00  1.1223E+01 -9.6713E-01
 -1.6054E+00 -7.0858E-01 -8.5258E-01
 -3.5570E+03 -4.7643E+02 -1.4036E+03
OH            3776    0.000000   -0.683000
 -7.6045E+00  1.1792E+01 -2.1928E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3777    1.008000    0.418000
 -7.7892E+00  1.1217E+01 -2.9194E+00
  7.2750E+00  2.5946E-01 -2.1342E+00
 -1.2899E+03 -2.3948E+02  6.6313E+02
HC            3778    1.008000    0.040000
 -7.9175E+00  1.1887E+01 -1.0737E-01
 -2.3351E+01  5.4324E+00 -2.7471E+00
  2.7467E+02  5.9541E+02 -1.3050E+03
HC            3779    1.008000    0.040000
 -7.5597E+00  1.0263E+01 -7.0748E-01
  6.9328E+00  4.1203E+00  2.7216E+00
  5.6353E+01 -8.7323E+01 -1.3650E+03
HC            3780    1.008000    0.040000
 -9.0690E+00  1.1077E+01 -1.1614E+00
 -9.0134E-01 -4.8899E+00 -1.6513E+00
 -6.3831E+02 -7.5263E+02  2.4321E+03
CT            3781   12.011000    0.145000
  1.6440E+01 -1.8124E+01 -1.2358E+01
  4.4624E+00  1.1019E+01 -6.7093E-01
 -2.7599E+02  5.3869E+03  1.2347E+03
OH            3782    0.000000   -0.683000
  1.5323E+01 -1.7731E+01 -1.3123E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3783    1.008000    0.418000
  1.4592E+01 -1.7900E+01 -1.2549E+01
 -1.1223E+01  1.3086E+01 -9.7483E+00
 -3.5816E+03  8.4875E+02 -4.4499E+03
HC            3784    1.008000    0.040000
  1.7396E+01 -1.7744E+01 -1.2719E+01
 -2.5584E+00 -2.9052E+00 -3.8455E+01
 -1.4816E+03 -2.1403E+03 -3.8408E+03
HC            3785    1.008000    0.040000
  1.6476E+01 -1.9131E+01 -1.1942E+01
 -2.2070E+01  1.9993E+01  2.7019E+01
 -1.7115E+03  5.0899E+02 -4.1774E+03
HC            3786    1.008000    0.040000
  1.6480E+01 -1.7656E+01 -1.1374E+01
  1.7805E+00  1.0544E+00  4.3147E+00
 -3.6986E+03  1.2087E+03 -2.7033E+02
CT            3787   12.011000    0.145000
  1.2217E+01 -1.5873E+01  1.9068E+01
  6.2886E-01 -4.6205E+00  2.1344E+00
  1.5246E+02 -2.8612E+03  2.0521E+03
OH            3788    0.000000   -0.683000
  1.0828E+01 -1.6098E+01  1.8978E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3789    1.008000    0.418000
  1.0432E+01 -1.6289E+01  1.9815E+01
 -1.0359E+01  4.4209E+00 -3.7291E+00
  4.3664E+03  1.3524E+03  1.9254E+03
HC            3790    1.008000    0.040000
  1.2586E+01 -1.5011E+01  1.9624E+01
  1.0904E+01  8.3296E+00 -2.3134E+01
 -3.1467E+03  1.3161E+03 -1.6124E+03
HC            3791    1.008000    0.040000
  1.2678E+01 -1.5835E+01  1.8081E+01
 -5.8275E+00  1.1691E+01 -5.6448E-01
 -1.0847E+03  1.7730E+03 -9.4276E+01
HC            3792    1.008000    0.040000
  1.2761E+01 -1.6671E+01  1.9574E+01
 -8.5950E+00 -1.0308E+01  3.3188E+00
 -2.4134E+03 -2.0899E+03 -1.5276E+02
CT            3793   12.011000    0.145000
 -1.8480E+01 -2.2355E+00 -2.2443E+00
  2.6797E+00 -4.2240E+00 -2.7398E+00
 -1.1839E+03  4.0974E+02  3.8807E+02
OH            3794    0.000000   -0.683000
 -1.9086E+01 -1.8291E+00 -3.4511E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3795    1.008000    0.418000
 -1.9075E+01 -8.8968E-01 -3.5531E+00
 -1.7139E+01 -1.5379E+00 -2.5021E+01
 -2.4521E+03 -7.9934E+02  2.5055E+03
HC            3796    1.008000    0.040000
 -1.8244E+01 -3.2939E+00 -2.3543E+00
  1.4298E+01 -2.2574E+00  1.8426E+00
  5.0030E+02  3.6472E+01  2.2376E+03
HC            3797    1.008000    0.040000
 -1.9280E+01 -1.9902E+00 -1.5455E+00
 -3.9190E+00  1.2700E+01 -1.5528E+01
  1.7194E+03 -1.4957E+03  1.5861E+03
HC            3798    1.008000    0.040000
 -1.7582E+01 -1.6606E+00 -2.0195E+00
  1.4520E+00  1.7439E+00 -1.2507E+01
  1.0400E+02 -3.5281E+02 -3.6382E+02
CT            3799   12.011000    0.145000
 -1.6333E+01 -1.5646E+01 -1.1647E+01
 -3.5126E+00  9.7330E-01 -1.5171E+00
 -1.6079E+03 -1.1722E+02  2.0665E+02
OH            3800    0.000000   -0.683000
 -1.6421E+01 -1.6918E+01 -1.2248E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3801    1.008000    0.418000
 -1.7274E+01 -1.7282E+01 -1.2065E+01
 -4.5679E+00 -2.4377E+00 -2.3088E+01
 -1.2816E+02  4.1185E+01 -2.4288E+03
HC            3802    1.008000    0.040000
 -1.5608E+01 -1.5035E+01 -1.2185E+01
 -3.6457E+00  1.3442E+01  1.1839E+01
  2.8334E+02  6.2741E+02  1.7151E+03
HC            3803    1.008000    0.040000
 -1.6100E+01 -1.5803E+01 -1.0593E+01
 -4.5446E+00 -2.5712E+01 -4.5882E+00
  1.2115E+03 -1.8243E+02 -9.7956E+02
HC            3804    1.008000    0.040000
 -1.7306E+01 -1.5156E+01 -1.1679E+01
  9.4988E-01  1.0342E+01  2.1000E+00
  5.3433E+02  1.1048E+03 -7.0481E+02
CT            3805   12.011000    0.145000
 -1.5349E+01  6.4419E+00  1.8724E+01
 -2.7679E-01  2.9137E-01  3.0227E-01
  2.2572E+03 -2.7947E+03 -2.7379E+03
OH            3806    0.000000   -0.683000
 -1.4931E+01  5.6839E+00  1.9837E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3807    1.008000    0.418000
 -1.3996E+01  5.8235E+00  1.9848E+01
 -1.9762E+00  1.7571E+01 -1.2603E+01
 -7.0318E+02 -1.1462E+02  2.9112E+03
HC            3808    1.008000    0.040000
 -1.6411E+01  6.4730E+00  1.8478E+01
  1.5192E+00 -4.2935E+00 -8.4182E+00
 -4.6893E+01 -9.5970E+02  1.2998E+03
HC            3809    1.008000    0.040000
 -1.4880E+01  5.7885E+00  1.7989E+01
  1.3021E+00  1.2546E+01 -9.9303E+00
 -6.6637E+02  2.7498E+03 -3.3905E+03
HC            3810    1.008000    0.040000
 -1.4941E+01  7.4504E+00  1.8660E+01
 -5.4925E+00  3.4443E+00  1.3324E+01
  7.3301E+02 -5.4975E+02  8.9268E+02
CT            3811   12.011000    0.145000
  1.5218E+01 -5.9237E-02 -2.8648E+00
  3.2314E+00 -3.9029E-01 -4.1661E+00
  2.5550E+02  3.1396E+03 -2.8423E+03
OH            3812    0.000000   -0.683000
  1.6225E+01  6.0898E-01 -2.1392E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3813    1.008000    0.418000
  1.6373E+01 -1.2452E-01 -1.5619E+00
 -2.1362E+01 -1.2503E+01 -9.2167E+00
  3.2029E+03  2.4207E+03  2.8145E+02
HC            3814    1.008000    0.040000
  1.4336E+01 -2.9060E-01 -2.2669E+00
  1.4999E+01 -1.6093E+00  1.3466E+01
  2.0968E+03 -2.3930E+03  1.3609E+03
HC            3815    1.008000    0.040000
  1.5664E+01 -9.6768E-01 -3.2690E+00
 -1.2974E+01 -2.9816E+01  3.7062E+01
 -3.5403E+03  8.1195E+02  8.5747E+02
HC            3816    1.008000    0.040000
  1.4769E+01  6.1535E-01 -3.5942E+00
  5.7674E+00  3.1488E+00 -2.4814E+00
  2.5400E+03  5.9171E+01 -1.9354E+03
CT            3817   12.011000    0.145000
 -1.7602E+01 -6.4828E+00 -8.2918E+00
 -4.2601E-02 -1.6718E-01  5.0895E-02
 -8.0965E+02 -2.3195E+03  1.6696E+03
OH            3818    0.000000   -0.683000
 -1.8955E+01 -6.2310E+00 -8.5981E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3819    1.008000    0.418000
 -1.9013E+01 -5.4041E+00 -9.0519E+00
  2.3127E+00 -5.5318E-02 -4.1060E-01
  8.5525E+02 -6.9315E+01 -2.3836E+02
HC            3820    1.008000    0.040000
 -1.7158E+01 -5.5919E+00 -7.8471E+00
 -2.5822E+01  1.1475E+01  4.2823E+00
  4.4727E+02 -6.0727E+02 -1.6485E+03
HC            3821    1.008000    0.040000
 -1.7094E+01 -6.9487E+00 -9.1360E+00
  6.2587E+00 -6.2360E+00  7.0456E+00
  1.5627E+03  2.3941E+03 -1.0117E+02
HC            3822    1.008000    0.040000
 -1.7639E+01 -7.2935E+00 -7.5641E+00
 -2.1301E+01 -1.1877E+01 -1.3028E+01
  9.4808E+02  8.0578E+02  6.9704E+01
CT            3823   12.011000    0.145000
 -1.7743E+00 -1.9452E+01  8.7677E-01
 -2.6452E+00  3.4668E+00 -9.1875E-01
  1.0824E+03  5.8380E+03 -4.2290E+03
OH            3824    0.000000   -0.683000
 -2.2816E+00 -2.0142E+01 -2.4355E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3825    1.008000    0.418000
 -2.2377E+00 -1.9427E+01 -8.6048E-01
  5.6395E+00  2.8351E+00  3.5978E+00
  9.4856E+02 -3.3523E+03 -3.5397E+03
HC            3826    1.008000    0.040000
 -2.0083E+00 -1.9836E+01  1.8698E+00
  2.7517E+01 -1.8568E+01 -9.2410E-01
  3.4568E+03 -1.2230E+03 -1.1089E+03
HC            3827    1.008000    0.040000
 -2.0298E+00 -1.8394E+01  8.1593E-01
  1.6702E+01  8.8578E+00  4.4701E+00
 -2.6455E+03 -7.1607E+02  1.0865E+03
HC            3828    1.008000    0.040000
 -7.3770E-01 -1.9318E+01  5.6784E-01
  6.4142E-01 -1.4507E+01  1.1894E+00
  2.0826E+03 -2.6353E+03  5.4037E+03
CT            3829   12.011000    0.145000
 -1.6390E+01  1.5980E+01 -7.4271E+00
 -9.7071E-01 -1.6345E+00  3.3741E+00
 -4.3387E+03 -7.2002E+02  8.5211E+03
OH            3830    0.000000   -0.683000
 -1.5294E+01  1.6615E+01 -6.8084E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3831    1.008000    0.418000
 -1.5523E+01  1.7058E+01 -6.0053E+00
  6.3414E+00  7.1073E+00 -1.9960E+00
 -6.8781E+02 -1.1469E+03  2.4825E+02
HC            3832    1.008000    0.040000
 -1.7299E+01  1.6579E+01 -7.4858E+00
 -9.5036E+00 -1.5015E+01 -7.2071E+00
  9.2183E+02  1.0166E+03 -1.6553E+03
HC            3833    1.008000    0.040000
 -1.6621E+01  1.5305E+01 -6.6028E+00
  8.4992E+00 -3.9253E+00  4.2655E+00
 -1.1233E+03 -1.5262E+03 -8.5224E+02
HC            3834    1.008000    0.040000
 -1.6329E+01  1.5317E+01 -8.2905E+00
  1.1710E+01 -1.6266E-01  2.9517E+00
  3.7021E+03  1.8702E+03 -4.9297E+02
CT            3835   12.011000    0.145000
 -1.8271E+01  5.6433E+00  3.8699E+00
  4.4898E+00  4.6830E+00  3.4130E+00
  2.4628E+03  9.4579E+02  1.5850E+03
OH            3836    0.000000   -0.683000
 -1.7315E+01  5.4584E+00  2.8501E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3837    1.008000    0.418000
 -1.6976E+01  6.3325E+00  2.7329E+00
  2.6140E+01 -1.0207E+01 -7.6253E+00
  3.3006E+03 -1.9508E+03 -1.4288E+03
HC            3838    1.008000    0.040000
 -1.8900E+01  4.7567E+00  3.9543E+00
 -2.5787E+01  2.4442E+01  1.0582E+00
 -3.0304E+03  3.0589E+03 -1.2597E+03
HC            3839    1.008000    0.040000
 -1.8698E+01  6.5873E+00  3.5313E+00
 -5.4251E-01 -1.6457E+00 -8.4959E+00
 -5.5402E+03 -2.4880E+03  6.0548E+02
HC            3840    1.008000    0.040000
 -1.7887E+01  5.8881E+00  4.8599E+00
  1.0167E+01  1.2287E+01 -5.6782E-01
  2.0012E+03 -7.9474E+02 -4.4136E+02
CT            3841   12.011000    0.145000
 -1.9028E+01 -1.7922E+01  2.6307E+00
 -4.9220E-01  6.2693E-03 -4.5335E-02
  1.3548E+03  3.5945E+02 -3.8899E+03
OH            3842    0.000000   -0.683000
 -1.9033E+01 -1.9325E+01  2.4973E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3843    1.008000    0.418000
 -1.9903E+01 -1.9537E+01  2.1946E+00
 -2.1093E+01 -3.9914E+00  5.2715E+01
  3.6355E+03  1.8871E+03  1.4446E+02
HC            3844    1.008000    0.040000
 -1.8048E+01 -1.7794E+01  3.0888E+00
  1.5106E+01 -1.4719E+01 -2.6764E+01
 -3.2048E+03  3.1502E+03  1.8514E+03
HC            3845    1.008000    0.040000
 -1.9994E+01 -1.7668E+01  3.0671E+00
  4.2072E+00  1.0326E+00  1.0045E+01
  2.4089E+03  2.0067E+03  3.6878E+03
HC            3846    1.008000    0.040000
 -1.8959E+01 -1.7338E+01  1.7127E+00
  1.1483E+01  1.6587E+01  1.0807E+01
  4.3751E+02 -1.4143E+03 -5.2982E+02
CT            3847   12.011000    0.145000
 -1.2560E+01  1.3217E+00  5.2236E+00
 -2.1542E+00  4.0035E+00 -1.1131E-01
 -3.6199E+03  1.8685E+03 -1.7874E+03
OH            3848    0.000000   -0.683000
 -1.1857E+01  1.6621E+00  4.0497E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3849    1.008000    0.418000
 -1.2378E+01  2.1966E+00  3.4703E+00
  9.5137E-01  1.5906E+01  1.3084E+01
 -3.0479E+03  1.1187E+03  4.1320E+03
HC            3850    1.008000    0.040000
 -1.2722E+01  2.2321E+00  5.8005E+00
  1.9459E+01 -3.2113E+00  1.8888E+01
  1.1225E+03 -8.9737E+02  7.4893E+02
HC            3851    1.008000    0.040000
 -1.2036E+01  5.5978E-01  5.8014E+00
  3.3144E+00  1.0058E-01 -9.9646E+00
  8.0548E+02  1.5135E+03  3.4636E+02
HC            3852    1.008000    0.040000
 -1.3543E+01  8.8264E-01  5.0554E+00
  5.4580E+00 -1.2668E+01 -3.1490E+00
  4.9963E+02 -3.2588E+02 -1.9367E+03
CT            3853   12.011000    0.145000
  1.9502E+01 -7.4240E+00  1.6993E+01
  4.6307E-01  3.9557E-01  2.2418E+00
 -1.0574E+01 -4.0518E+03  6.3830E+02
OH            3854    0.000000   -0.683000
 -2.0017E+01 -7.4880E+00  1.6717E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3855    1.008000    0.418000
 -1.9708E+01 -6.5955E+00  1.6749E+01
  3.3437E+01 -1.0355E+01  5.4092E+00
  3.9412E+03 -2.1777E+03  2.5146E+03
HC            3856    1.008000    0.040000
  1.9051E+01 -7.5985E+00  1.7970E+01
 -1.4419E+01  1.5308E+01 -1.5050E+00
  4.3225E+03  2.1562E+03  1.8300E+03
HC            3857    1.008000    0.040000
  1.9067E+01 -8.3278E+00  1.6567E+01
 -4.8467E+00 -1.3281E+00  1.1048E+01
 -1.4297E+03  2.1961E+03 -3.2693E+03
HC            3858    1.008000    0.040000
  1.9086E+01 -6.4610E+00  1.6698E+01
 -5.7295E+00 -2.0594E-01  8.7405E+00
 -1.0966E+03 -1.5395E+03 -1.9198E+03
CT            3859   12.011000    0.145000
 -1.1502E+01 -8.4947E-01  1.0232E+01
  9.5099E-01 -1.1632E+00  1.1274E-01
 -3.3957E+02  4.9998E+02 -6.5571E+02
OH            3860    0.000000   -0.683000
 -1.0417E+01  4.7199E-02  1.0306E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3861    1.008000    0.418000
 -1.0078E+01  2.3240E-01  9.4435E+00
 -1.5106E+01  5.1667E+00 -5.1525E+00
 -2.6864E+03 -2.6302E+03 -1.4131E+03
HC            3862    1.008000    0.040000
 -1.1215E+01 -1.8550E+00  9.9255E+00
  8.0926E+00  4.7835E+00 -1.3567E+01
  4.9090E+02  5.1412E+02 -3.5093E+02
HC            3863    1.008000    0.040000
 -1.2169E+01 -4.1830E-01  9.4855E+00
  1.4457E+01  6.6774E+00 -7.8237E+00
 -8.5956E+02 -1.2702E+03  4.8872E+02
HC            3864    1.008000    0.040000
 -1.1916E+01 -8.7662E-01  1.1241E+01
  1.4014E+01 -8.1306E+00  5.5263E+00
 -1.2239E+03 -9.0915E+02 -8.7833E+02
CT            3865   12.011000    0.145000
 -6.0231E+00 -6.7669E+00 -1.3658E+01
  2.1741E-01  1.1400E+00  3.2342E-02
  1.9987E+03 -2.5138E+03 -1.6693E+02
OH            3866    0.000000   -0.683000
 -5.9588E+00 -6.8202E+00 -1.2251E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3867    1.008000    0.418000
 -6.1594E+00 -5.9416E+00 -1.1966E+01
 -1.1264E+01  3.9060E-01 -8.4572E+00
  2.2011E+03  7.8711E+02 -1.7776E+03
HC            3868    1.008000    0.040000
 -6.9103E+00 -6.2252E+00 -1.3986E+01
 -6.4013E+00 -1.3089E+00  1.3208E+01
  1.6482E+03  1.4299E+03 -3.6614E+02
HC            3869    1.008000    0.040000
 -6.1214E+00 -7.8227E+00 -1.3910E+01
 -5.5477E+00  6.9239E-01  3.9603E+00
  1.3176E+03  4.0955E+02 -2.5351E+03
HC            3870    1.008000    0.040000
 -5.0380E+00 -6.3402E+00 -1.3847E+01
 -5.6533E+00  1.9547E+00 -3.5681E+01
 -1.8812E+03  8.1354E+02 -5.3370E+03
CT            3871   12.011000    0.145000
  5.7331E-01  1.8237E+01 -1.8131E+01
  2.3946E+00  7.8656E-01  1.3774E+00
  7.5993E+02  1.9001E+03  1.4620E+03
OH            3872    0.000000   -0.683000
  1.2418E-01  1.7567E+01 -1.6974E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3873    1.008000    0.418000
 -8.2056E-01  1.7588E+01 -1.6966E+01
 -1.2508E-02  8.4859E+00 -7.4272E+00
  8.8940E+01 -4.4597E+02 -1.4416E+03
HC            3874    1.008000    0.040000
 -3.4467E-01  1.8489E+01 -1.8662E+01
  9.3028E+00 -1.1019E+01 -1.7191E+01
  1.7477E+03  1.9026E+03 -1.0155E+03
HC            3875    1.008000    0.040000
  1.2794E+00  1.7779E+01 -1.8824E+01
 -2.1487E+01 -1.0918E+01 -1.6719E+01
 -3.5026E+03 -4.2876E+03  2.4752E+02
HC            3876    1.008000    0.040000
  1.2076E+00  1.9094E+01 -1.7907E+01
 -3.4289E+00  6.8515E+00 -4.8455E+00
 -3.7371E+03  2.4565E+03  1.8475E+03
CT            3877   12.011000    0.145000
 -1.1062E+01  8.9561E+00 -1.3295E+01
  3.3963E+00 -3.0677E+00  3.2937E+00
 -7.6925E+03  5.1582E+03  8.7824E+02
OH            3878    0.000000   -0.683000
 -1.1903E+01  7.8394E+00 -1.3477E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3879    1.008000    0.418000
 -1.1189E+01  7.2550E+00 -1.3681E+01
 -1.1072E+01 -1.1360E+01 -7.7571E+00
 -4.1426E+03 -4.2359E+03 -2.6682E+03
HC            3880    1.008000    0.040000
 -1.1666E+01  9.8170E+00 -1.3010E+01
  4.6612E+00 -1.9500E+00  2.6132E+00
 -5.6524E+02 -4.3521E+02  2.7546E+03
HC            3881    1.008000    0.040000
 -1.0721E+01  9.3503E+00 -1.4253E+01
 -7.6296E+00 -6.7280E+00 -2.3140E+00
  4.0825E+03 -3.0124E+03  7.6704E+02
HC            3882    1.008000    0.040000
 -1.0401E+01  8.7068E+00 -1.2465E+01
 -2.3629E+00  1.1512E+01  1.2660E+01
  2.3463E+03  2.5460E+03 -2.1588E+03
CT            3883   12.011000    0.145000
 -3.3409E+00  8.9230E+00  3.6484E+00
  2.8359E+00  5.4548E+00 -3.2919E+00
 -4.8848E+03  1.8607E+03 -2.1812E+03
OH            3884    0.000000   -0.683000
 -3.2300E+00  8.1485E+00  2.4754E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3885    1.008000    0.418000
 -3.4800E+00  8.6081E+00  1.6884E+00
  5.6505E+00 -2.5622E+00 -3.3557E+00
  1.9979E+03  5.5266E+03  2.8273E+03
HC            3886    1.008000    0.040000
 -4.4009E+00  9.1750E+00  3.6788E+00
  2.5297E+00  5.6495E+00 -1.2677E+01
 -1.1175E+00  1.2694E+03  6.9827E+02
HC            3887    1.008000    0.040000
 -2.7865E+00  9.8599E+00  3.5945E+00
 -2.4560E+00  8.0204E+00 -1.7553E+01
  1.0535E+03 -1.0292E+03  1.3095E+03
HC            3888    1.008000    0.040000
 -3.1969E+00  8.2484E+00  4.4923E+00
  1.7559E+00  9.9793E+00  5.5203E-01
  3.1103E+03  3.5855E+03  1.9408E+03
CT            3889   12.011000    0.145000
  1.2310E+01  2.4992E-01 -1.2028E+01
 -1.7276E+00  2.0217E+00  3.4999E+00
  2.8766E+03  5.1199E+03 -4.3470E+03
OH            3890    0.000000   -0.683000
  1.3554E+01  1.6435E-01 -1.1370E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3891    1.008000    0.418000
  1.4143E+01  7.6807E-01 -1.1796E+01
  1.3148E+00 -5.2555E+00 -5.7807E+00
  6.8264E+02 -8.0825E+02 -1.0097E+02
HC            3892    1.008000    0.040000
  1.1900E+01  1.2589E+00 -1.1982E+01
 -1.0840E+01 -3.1628E-01 -1.5969E+01
 -7.0498E+02 -6.1355E+02  1.4591E+03
HC            3893    1.008000    0.040000
  1.1542E+01 -5.0831E-01 -1.1873E+01
  2.1629E+01 -2.0664E+01  1.6046E+01
  2.7206E+03 -5.5711E+02  1.7853E+03
HC            3894    1.008000    0.040000
  1.2642E+01  2.5447E-01 -1.3067E+01
  7.1491E+00  2.1364E+00  6.2566E+00
 -1.6044E+03 -2.2739E+03 -7.9350E+02
CT            3895   12.011000    0.145000
  6.1062E+00  3.5388E+00  1.6248E+01
 -3.9312E+00  4.4005E+00 -3.6260E+00
  2.5507E+03  1.9455E+01 -2.3962E+03
OH            3896    0.000000   -0.683000
  6.8326E+00  4.6207E+00  1.6787E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3897    1.008000    0.418000
  6.4980E+00  4.8533E+00  1.7639E+01
  5.7680E+00  2.6852E+01 -4.1579E+00
 -1.9098E+03  1.7872E+01 -1.6980E+03
HC            3898    1.008000    0.040000
  6.2736E+00  2.6024E+00  1.6780E+01
 -2.3694E+01  1.3124E+01  1.9857E+01
 -1.1728E+03  1.6276E+03  1.8025E+03
HC            3899    1.008000    0.040000
  6.4580E+00  3.3150E+00  1.5241E+01
  2.2092E+01  1.3149E+01  2.7326E+00
  1.4698E+03  1.6275E+03  4.7692E+02
HC            3900    1.008000    0.040000
  5.0453E+00  3.7402E+00  1.6100E+01
 -1.2443E+00  2.5404E+01  2.4104E+00
  2.8051E+02  8.7689E+02  2.9394E+03
CT            3901   12.011000    0.145000
 -9.8151E+00  1.4985E+01  5.4608E+00
 -1.1227E+00  1.9160E+00  1.1355E+00
 -1.9906E+03 -3.0971E+03 -1.1285E+03
OH            3902    0.000000   -0.683000
 -1.0071E+01  1.5575E+01  4.2062E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3903    1.008000    0.418000
 -9.4337E+00  1.6272E+01  4.1645E+00
 -5.3603E+00  5.9265E+00  1.2054E+01
 -1.1615E+03  5.0558E+02 -2.2369E+03
HC            3904    1.008000    0.040000
 -9.4207E+00  1.5657E+01  6.2227E+00
 -2.7390E+01  5.3766E+00  1.2776E+01
 -1.2858E+03 -2.1597E+02 -5.3804E+02
HC            3905    1.008000    0.040000
 -9.2163E+00  1.4089E+01  5.2969E+00
 -2.2208E+01 -1.1223E+01 -8.3883E+00
 -8.8787E+00  5.8390E+02  8.0331E+02
HC            3906    1.008000    0.040000
 -1.0797E+01  1.4594E+01  5.7281E+00
  7.0163E+00 -2.2337E+01 -1.9415E+00
  1.3094E+03 -3.7239E+02  2.6792E+03
CT            3907   12.011000    0.145000
  1.2734E+01 -8.9488E+00 -6.2444E+00
 -3.9955E+00  2.6542E+00  5.0699E+00
  3.2135E+03 -1.2358E+03  1.0023E+03
OH            3908    0.000000   -0.683000
  1.3431E+01 -7.7273E+00 -6.3440E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3909    1.008000    0.418000
  1.4300E+01 -8.0081E+00 -6.5889E+00
 -9.0482E+00 -2.1569E+01 -1.0001E+01
 -1.0278E+03  6.5349E+02 -1.9236E+03
HC            3910    1.008000    0.040000
  1.3529E+01 -9.6562E+00 -6.0078E+00
 -8.2428E+00 -9.9154E+00 -1.5679E+01
 -1.8018E+03 -1.3238E+03  8.8421E+02
HC            3911    1.008000    0.040000
  1.2362E+01 -9.3314E+00 -7.1947E+00
  3.0998E+01  6.4676E+00 -1.1774E+01
  2.1296E+02  1.6593E+03  1.0702E+03
HC            3912    1.008000    0.040000
  1.1989E+01 -8.9133E+00 -5.4491E+00
 -7.5712E+00 -1.4627E+01  2.8911E+00
 -2.1441E+02 -1.3066E+03 -6.0072E+02
CT            3913   12.011000    0.145000
 -2.1516E+00 -2.5911E+00  1.2162E+01
  1.1760E-01  2.8544E+00 -5.0836E-01
 -1.5902E+03  1.8428E+03  2.5147E+03
OH            3914    0.000000   -0.683000
 -3.3805E+00 -2.6659E+00  1.1475E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3915    1.008000    0.418000
 -3.3996E+00 -2.0650E+00  1.0746E+01
  5.1645E+00 -8.9821E+00 -7.7684E+00
  3.8621E+03 -8.3285E+02 -6.9189E+02
HC            3916    1.008000    0.040000
 -2.1489E+00 -3.2837E+00  1.3004E+01
 -9.3377E+00 -4.7780E+00 -6.5403E+00
 -9.6852E+02 -3.8824E+02 -3.8239E+02
HC            3917    1.008000    0.040000
 -1.8936E+00 -1.6080E+00  1.2556E+01
 -2.3877E+00  8.0445E+00 -1.1441E+01
 -3.5700E+03  9.8844E+02  7.3678E+01
HC            3918    1.008000    0.040000
 -1.2250E+00 -2.7842E+00  1.1622E+01
 -7.8108E+00 -7.7717E+00 -1.0823E+01
 -3.2490E+03 -3.9911E+03 -3.7778E+03
CT            3919   12.011000    0.145000
 -8.3098E+00  1.6365E+01 -1.8529E+01
 -3.0680E+00 -4.6174E+00  5.8260E+00
 -2.8047E+03 -1.6245E+03 -5.4254E+03
OH            3920    0.000000   -0.683000
 -9.3885E+00  1.7263E+01 -1.8397E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3921    1.008000    0.418000
 -8.9471E+00  1.8091E+01 -1.8511E+01
  6.6442E+00 -4.4319E+00 -7.5260E+00
  3.7896E+01 -3.4927E+02 -1.8081E+03
HC            3922    1.008000    0.040000
 -8.5887E+00  1.5484E+01 -1.9108E+01
  5.7872E+00  5.0681E+00 -1.4187E+01
 -1.3383E+03  2.6595E+02  6.6707E+02
HC            3923    1.008000    0.040000
 -7.7525E+00  1.6059E+01 -1.7644E+01
  3.1686E+00  1.9488E+01  1.0967E+01
 -1.7100E+02  2.9999E+03  1.8821E+02
HC            3924    1.008000    0.040000
 -7.7077E+00  1.6901E+01 -1.9263E+01
  1.4504E+00 -8.5571E-01  1.2181E+01
  3.4220E+03 -1.5362E+03  1.5482E+03
CT            3925   12.011000    0.145000
  1.7035E+01  5.7983E+00  1.3401E+01
 -2.3335E+00 -8.4074E+00  1.9836E+00
  2.8562E+03  4.1205E+03  5.3958E+02
OH            3926    0.000000   -0.683000
  1.8214E+01  5.3347E+00  1.2784E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3927    1.008000    0.418000
  1.8011E+01  4.4527E+00  1.2512E+01
 -2.2137E+01 -1.8678E+00  1.9438E+01
 -1.3028E+03  1.8605E+03 -1.6699E+03
HC            3928    1.008000    0.040000
  1.6188E+01  5.8010E+00  1.2714E+01
  1.3826E+00 -1.1091E+01 -2.6666E+00
 -7.3317E+02 -1.8646E+03  1.3405E+03
HC            3929    1.008000    0.040000
  1.7128E+01  6.8525E+00  1.3662E+01
 -2.8069E+01 -3.5908E+00 -5.4454E+00
  1.0621E+02  3.4955E+01 -1.3404E+03
HC            3930    1.008000    0.040000
  1.6901E+01  5.3840E+00  1.4400E+01
 -2.3404E+00 -2.9531E-02  5.5388E+00
 -2.2281E+03 -1.9558E+03 -1.4468E+03
CT            3931   12.011000    0.145000
  1.0963E+01  1.9470E+01 -1.6106E+01
  4.1618E-01  4.2058E-01 -1.0975E-01
  5.7740E+02 -1.4909E+03 -1.5363E+03
OH            3932    0.000000   -0.683000
  1.0097E+01  2.0085E+01 -1.7033E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3933    1.008000    0.418000
  9.2020E+00  1.9936E+01 -1.6767E+01
 -5.2287E+00  1.5521E+01 -7.6787E+00
  2.3232E+01  1.0035E+03 -3.3795E+02
HC            3934    1.008000    0.040000
  1.0725E+01  1.9841E+01 -1.5109E+01
 -5.9713E+00  8.5336E+00 -4.5231E+00
  1.4025E+03  2.3844E+02 -9.5667E+01
HC            3935    1.008000    0.040000
  1.2005E+01  1.9651E+01 -1.6370E+01
  6.6560E+00 -2.3057E+00  2.0848E+01
 -1.4236E+02  1.4466E+03  1.6185E+03
HC            3936    1.008000    0.040000
  1.0865E+01  1.8384E+01 -1.6103E+01
 -3.5098E+01  2.3804E+00 -7.8162E+00
 -2.4559E+03  9.9247E+02 -6.5397E+02
CT            3937   12.011000    0.145000
 -1.5856E+01 -1.7278E+01  1.2167E+01
  1.3042E+00 -8.8470E-01 -1.2571E+00
  3.0220E+03  3.8929E+03 -6.8998E+02
OH            3938    0.000000   -0.683000
 -1.5071E+01 -1.7680E+01  1.3268E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3939    1.008000    0.418000
 -1.4599E+01 -1.6925E+01  1.3584E+01
 -2.5070E+01  1.8597E+01 -3.8473E+00
 -2.0584E+03  9.9069E+02 -1.5338E+03
HC            3940    1.008000    0.040000
 -1.5118E+01 -1.7203E+01  1.1369E+01
  4.6396E+00  6.1051E+00  2.3914E+00
 -1.7588E+03 -4.2249E+02 -1.7871E+03
HC            3941    1.008000    0.040000
 -1.6209E+01 -1.6269E+01  1.2381E+01
 -1.2016E+01 -8.9725E+00  1.7796E+01
 -2.1686E+02 -4.1844E+02  1.0875E+02
HC            3942    1.008000    0.040000
 -1.6745E+01 -1.7852E+01  1.1906E+01
 -1.1694E+01  2.0716E+01 -7.0419E+00
  1.6167E+03 -5.1914E+02  3.5082E+02
CT            3943   12.011000    0.145000
 -4.3353E+00 -2.3163E+00  4.7387E+00
  1.5953E+00  1.3415E+00  6.2904E-02
  1.8892E+02 -1.6512E+03 -3.9383E+03
OH            3944    0.000000   -0.683000
 -5.1778E+00 -1.2949E+00  4.2539E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3945    1.008000    0.418000
 -4.6016E+00 -5.5139E-01  4.1628E+00
 -1.2032E+01  8.7709E+00 -7.5835E+00
 -8.0798E+02  4.0257E+02  1.0927E+03
HC            3946    1.008000    0.040000
 -4.4929E+00 -3.2435E+00  4.1878E+00
  1.5673E+01 -2.4966E-02 -2.0352E+00
 -2.8495E+03 -7.5128E+02  2.2762E+03
HC            3947    1.008000    0.040000
 -4.3361E+00 -2.4000E+00  5.8255E+00
  1.1227E+01  1.5690E+01  1.4515E+00
 -2.6821E+02 -3.7010E+02 -6.5171E+02
HC            3948    1.008000    0.040000
 -3.2988E+00 -2.2476E+00  4.4085E+00
  2.6632E+00 -1.0664E+01  4.7687E-01
  1.6493E+02  3.0393E+03  1.7794E+03
CT            3949   12.011000    0.145000
 -7.7130E+00  6.7869E+00  2.6564E+00
 -1.0285E+01 -4.5699E-01 -5.5689E+00
 -3.5945E+03  3.1729E+03 -1.7040E+03
OH            3950    0.000000   -0.683000
 -7.1008E+00  7.3259E+00  1.5062E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3951    1.008000    0.418000
 -7.0391E+00  6.6529E+00  8.4570E-01
 -5.3031E+00  1.1667E+01 -1.2884E+01
 -7.1423E+02 -1.4285E+02  6.2115E+02
HC            3952    1.008000    0.040000
 -8.6352E+00  6.2599E+00  2.4115E+00
 -6.8426E+00 -1.3698E+01  8.4068E+00
  1.4043E+03 -2.3275E+03 -1.8246E+01
HC            3953    1.008000    0.040000
 -8.1009E+00  7.6009E+00  3.2689E+00
  2.3854E+01  5.8450E+00  1.0042E+01
  3.4777E+03 -4.7468E+02  1.8008E+03
HC            3954    1.008000    0.040000
 -7.0425E+00  6.1883E+00  3.2729E+00
 -3.6745E+00  3.2294E+00 -9.0655E+00
 -7.5493E+02 -6.3722E+02 -6.7412E+02
CT            3955   12.011000    0.145000
  1.2094E+01  1.2867E+01 -1.3364E+01
  4.7548E-01  1.1123E+00  4.2564E-01
 -2.3616E+02 -2.0152E+03 -3.4593E+03
OH            3956    0.000000   -0.683000
  1.3325E+01  1.2235E+01 -1.3090E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3957    1.008000    0.418000
  1.3516E+01  1.1543E+01 -1.3704E+01
  4.1211E+00 -2.2052E+01  2.4365E+01
 -2.8864E+03  2.6182E+03 -1.3314E+03
HC            3958    1.008000    0.040000
  1.2331E+01  1.3225E+01 -1.4365E+01
  1.1491E+01  1.6781E+01  8.2042E+00
 -2.8225E+03  3.2997E+03  6.3748E+02
HC            3959    1.008000    0.040000
  1.1901E+01  1.3593E+01 -1.2574E+01
  5.2597E+00 -1.8245E+01  2.0395E+01
 -7.7579E+02  2.3992E+02 -2.1216E+03
HC            3960    1.008000    0.040000
  1.1314E+01  1.2106E+01 -1.3376E+01
 -3.9124E+00  4.7312E+00  2.0300E+01
 -8.2650E+02  1.0488E+03  8.9662E+02
CT            3961   12.011000    0.145000
 -1.9766E+01  1.1813E+00  4.1604E+00
  6.4718E+00  2.5629E+00 -7.5374E+00
 -8.6472E+03 -3.8898E+02 -3.1537E+02
OH            3962    0.000000   -0.683000
 -2.0010E+01  2.5439E+00  4.4282E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3963    1.008000    0.418000
 -1.9709E+01  2.7245E+00  5.3055E+00
  1.8917E+01  7.1118E-01 -6.1887E+00
 -2.1430E+03 -1.8027E+03  4.3007E+02
HC            3964    1.008000    0.040000
  2.0230E+01  5.7613E-01  4.2372E+00
  1.3236E+01 -7.3039E+00 -3.6663E+00
 -5.8272E+02  2.9231E+02  2.3538E+03
HC            3965    1.008000    0.040000
 -1.9129E+01  8.4303E-01  4.9775E+00
  1.1549E+00  4.1762E-03 -4.3959E+00
  3.9687E+03 -2.4738E+03 -5.0506E+03
HC            3966    1.008000    0.040000
 -1.9680E+01  1.1940E+00  3.0739E+00
  1.1567E+01  4.1948E+00 -7.1399E+00
  7.7307E+03 -3.1771E+03  6.4391E+02
CT            3967   12.011000    0.145000
  6.9875E+00  1.9833E-01 -8.3607E+00
  8.7141E-01 -1.6896E+00 -4.6487E-01
  2.2677E+02  1.4654E+03  4.2902E+01
OH            3968    0.000000   -0.683000
  7.5187E+00  1.1595E-01 -7.0572E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3969    1.008000    0.418000
  7.8739E+00 -7.4462E-01 -6.8951E+00
  1.2088E+01  2.7310E-01 -2.1327E+01
 -6.1899E+02  7.2115E+02  8.1752E+02
HC            3970    1.008000    0.040000
  7.7270E+00  3.0308E-01 -9.1546E+00
  2.3712E+00  1.4980E+01  2.7653E+00
  9.9045E+02 -3.6837E+03  1.1110E+03
HC            3971    1.008000    0.040000
  6.4713E+00  1.1424E+00 -8.5348E+00
 -8.8387E+00 -2.4448E+00  2.1031E+01
 -8.5719E+02 -1.2868E+02  2.9252E+03
HC            3972    1.008000    0.040000
  6.2283E+00 -5.6977E-01 -8.5080E+00
 -1.5201E+00  3.4517E-01  1.1656E+00
  1.0169E+03 -6.0434E+02 -1.0721E+03
CT            3973   12.011000    0.145000
  1.1782E+01  1.8327E+01  8.2066E+00
 -2.7343E-01 -7.9078E-01 -4.6761E-01
  3.7530E+03  3.6566E+03  1.1597E+03
OH            3974    0.000000   -0.683000
  1.2228E+01  1.7536E+01  9.2851E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3975    1.008000    0.418000
  1.1517E+01  1.6985E+01  9.5761E+00
  5.0443E+00  4.9963E+00  2.3923E+01
 -7.2253E+02  1.5932E+03 -1.3123E+03
HC            3976    1.008000    0.040000
  1.0908E+01  1.8914E+01  8.4890E+00
 -7.7036E+00 -1.3647E+01  4.0950E+00
 -7.9438E+02 -1.3040E+03 -5.0995E+02
HC            3977    1.008000    0.040000
  1.1716E+01  1.7870E+01  7.2191E+00
  2.0014E+01 -8.8641E-01 -2.1895E+00
 -1.1924E+03 -1.6351E+03  1.6702E+03
HC            3978    1.008000    0.040000
  1.2555E+01  1.9085E+01  8.0808E+00
 -1.5291E+01  1.6717E+01  7.8971E+00
 -4.4798E+02  1.4147E+02 -7.8246E+02
CT            3979   12.011000    0.145000
  1.6255E+01  5.3050E-01  8.1547E+00
 -1.0545E+01  6.8236E+00  4.4378E+00
 -2.7775E+03  4.5731E+02  1.8423E+03
OH            3980    0.000000   -0.683000
  1.5900E+01 -5.6972E-01  8.9617E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3981    1.008000    0.418000
  1.5339E+01 -1.0776E+00  8.3952E+00
  1.2119E+00  1.1285E+01 -1.1792E+01
 -1.9462E+03 -2.8363E+02  2.9902E+03
HC            3982    1.008000    0.040000
  1.6395E+01  2.7942E-01  7.1032E+00
 -2.0768E+01  1.4828E+01  1.0009E+00
 -2.6268E+02 -8.0517E+02  5.5648E+02
HC            3983    1.008000    0.040000
  1.7126E+01  1.1093E+00  8.4634E+00
 -1.0808E+00 -6.6089E+00  3.8107E+00
  8.3992E+02 -2.6913E+03  1.8817E+03
HC            3984    1.008000    0.040000
  1.5487E+01  1.3027E+00  8.1836E+00
 -9.6720E+00  7.8012E+00  1.8472E+00
 -1.6625E+03 -1.3698E+03 -8.8124E+02
CT            3985   12.011000    0.145000
 -6.9671E+00  5.2899E+00 -7.1727E+00
  4.0782E-01 -1.6248E+00  1.2155E+00
  4.8922E+03  7.7991E+02 -4.3929E+03
OH            3986    0.000000   -0.683000
 -6.2813E+00  6.1352E+00 -6.2764E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3987    1.008000    0.418000
 -5.5928E+00  6.5245E+00 -6.7935E+00
 -6.4053E+00  1.5167E+01  2.3538E+00
 -2.4630E+01  6.7396E+02  9.2183E+02
HC            3988    1.008000    0.040000
 -8.0284E+00  5.2165E+00 -6.9355E+00
 -2.8185E+00 -2.1984E+00 -1.2551E+01
  1.8712E+02 -1.7308E+03 -2.3463E+03
HC            3989    1.008000    0.040000
 -6.4997E+00  4.3424E+00 -7.4408E+00
 -1.0631E+01 -5.9105E+00 -3.4908E+00
 -8.1203E+02 -1.2114E+03  2.6418E+03
HC            3990    1.008000    0.040000
 -6.7684E+00  5.8068E+00 -8.1116E+00
 -1.1881E+01 -1.3914E+01 -8.5747E+00
 -4.0154E+03  3.4092E+02 -9.2507E+02
CT            3991   12.011000    0.145000
  1.4608E+01 -3.7697E+00 -1.8155E+01
 -8.7205E-01 -3.5893E-01  1.5404E+00
  6.9769E+02  1.9749E+03 -3.5283E+03
OH            3992    0.000000   -0.683000
  1.5404E+01 -2.8185E+00 -1.7484E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3993    1.008000    0.418000
  1.4941E+01 -2.6660E+00 -1.6675E+01
  2.4793E+00  3.6970E+00  7.4948E-01
  8.6756E+02  2.7983E+03 -1.5075E+01
HC            3994    1.008000    0.040000
  1.3904E+01 -3.1890E+00 -1.8750E+01
 -1.0088E+01 -8.8955E-01  1.1613E+01
 -2.7778E+03 -9.2591E+02  2.0235E+03
HC            3995    1.008000    0.040000
  1.4170E+01 -4.4304E+00 -1.7406E+01
  1.3778E+01  6.6572E+00  1.6990E+01
 -7.0364E+02  1.0302E+02 -1.6559E+03
HC            3996    1.008000    0.040000
  1.5151E+01 -4.3345E+00 -1.8912E+01
 -9.0687E-01 -1.4723E+01  1.1812E+01
  1.1273E+03 -1.1389E+03  1.6696E+03
CT            3997   12.011000    0.145000
 -1.1312E-01  6.3157E+00  2.6154E+00
 -2.8916E+00  2.4547E-01  2.1070E+00
 -2.2784E+03  6.7044E+02  2.1731E+03
OH            3998    0.000000   -0.683000
 -5.7917E-01  7.3997E+00  1.8434E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            3999    1.008000    0.418000
 -1.3067E+00  7.7918E+00  2.3017E+00
 -3.1567E+00  1.9967E+01 -2.0304E+01
 -1.8953E+03 -6.5205E+02 -3.7340E+03
HC            4000    1.008000    0.040000
  2.3206E-01  6.4167E+00  3.6443E+00
  1.2309E+00 -2.1544E+01  3.3425E+00
 -1.6968E+03  5.1396E+03 -8.1039E+02
HC            4001    1.008000    0.040000
  7.9109E-01  5.7944E+00  2.3013E+00
 -1.3296E+00  7.0110E+00 -4.9367E+00
 -1.7240E+03  3.4102E+02 -4.6529E+03
HC            4002    1.008000    0.040000
 -9.5829E-01  5.6505E+00  2.7923E+00
 -1.0731E+01  2.7131E+00 -2.2312E+01
  7.7681E+02 -1.2025E+03 -2.5524E+03
CT            4003   12.011000    0.145000
 -1.8555E+01  1.5578E+01  8.8122E+00
  3.7539E+00  3.7087E+00 -4.5514E+00
  2.0449E+03  1.1772E+03 -5.9482E+02
OH            4004    0.000000   -0.683000
 -1.7716E+01  1.4463E+01  8.6063E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4005    1.008000    0.418000
 -1.7406E+01  1.4574E+01  7.7205E+00
  2.3074E+00  1.6237E+00  1.0006E+00
  8.3143E+02 -1.3735E+03  1.3614E+02
HC            4006    1.008000    0.040000
 -1.9552E+01  1.5639E+01  8.3778E+00
  2.8993E+00 -6.9367E+00 -4.3528E+00
  8.0138E+02 -4.2596E+03 -2.1563E+03
HC            4007    1.008000    0.040000
 -1.8069E+01  1.6472E+01  8.4216E+00
  8.9227E+00  2.3720E+00 -1.2865E+00
  2.3147E+03 -1.4164E+03 -8.2435E+02
HC            4008    1.008000    0.040000
 -1.8806E+01  1.5841E+01  9.8397E+00
 -2.2110E+01 -6.9341E+00 -7.3857E+00
  1.6887E+03 -1.9663E+03 -5.5966E+00
CT            4009   12.011000    0.145000
 -7.9507E+00  1.8872E+01 -1.4054E+01
 -2.5062E+00 -7.1705E-01  8.9534E-01
  2.2517E+03  3.2530E+03  3.3021E+02
OH            4010    0.000000   -0.683000
 -7.3828E+00  1.8395E+01 -1.2854E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4011    1.008000    0.418000
 -7.3871E+00  1.7450E+01 -1.2862E+01
  9.2197E+00 -1.2975E+00  2.9322E+01
 -3.2433E+03  1.1567E+03  1.9223E+02
HC            4012    1.008000    0.040000
 -7.4534E+00  1.8392E+01 -1.4897E+01
 -1.2054E-01  5.9419E+00 -1.5559E+00
 -9.4664E+02  9.1827E+02 -9.5550E+02
HC            4013    1.008000    0.040000
 -7.6111E+00  1.9905E+01 -1.3987E+01
  8.7055E+00 -4.9992E+00  1.5560E+01
 -2.1693E+03  5.8694E+02 -2.2668E+03
HC            4014    1.008000    0.040000
 -9.0312E+00  1.8773E+01 -1.4158E+01
 -2.6341E+00  3.8022E+00 -2.3399E+00
  1.7018E+02  7.4657E+01  8.5789E+02
CT            4015   12.011000    0.145000
  1.8590E+01 -1.0857E+01 -9.2594E+00
 -2.4093E+00 -1.6314E+00 -2.5721E+00
 -3.2535E+03  3.3224E+03 -5.1505E+03
OH            4016    0.000000   -0.683000
  1.7499E+01 -1.0574E+01 -8.4119E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4017    1.008000    0.418000
  1.7632E+01 -1.1145E+01 -7.6711E+00
  2.2986E+01 -2.9345E-01 -3.6048E+00
 -1.9242E+03  1.3436E+03  3.8033E+02
HC            4018    1.008000    0.040000
  1.8326E+01 -1.0049E+01 -9.9412E+00
 -1.1937E+00 -5.1227E+00 -7.2337E+00
  3.8403E+03  2.0628E+02 -2.0785E+03
HC            4019    1.008000    0.040000
  1.8614E+01 -1.1731E+01 -9.9112E+00
  2.2978E+01  1.3019E+00 -6.5963E+00
 -4.2375E+02 -9.5827E+02  2.3992E+03
HC            4020    1.008000    0.040000
  1.9604E+01 -1.0698E+01 -8.8944E+00
  8.2276E+00 -7.5670E-01 -3.0130E+01
 -5.2940E+02 -1.1100E+03 -1.3152E+03
CT            4021   12.011000    0.145000
 -4.8635E+00 -7.8680E+00 -1.8418E+01
 -1.8580E+00  2.1560E+00 -3.0885E+00
 -2.9301E+03  3.4395E+03 -4.4312E+03
OH            4022    0.000000   -0.683000
 -3.9771E+00 -6.7941E+00 -1.8196E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4023    1.008000    0.418000
 -3.5538E+00 -6.3837E+00 -1.8934E+01
 -1.7116E+01 -5.0673E+00 -1.3299E+01
 -4.7911E+03 -4.8641E+03 -5.5425E+03
HC            4024    1.008000    0.040000
 -5.4261E+00 -7.9606E+00 -1.7489E+01
 -7.0750E+00 -2.9311E+01 -8.2631E+00
 -8.6546E+02 -3.0946E+03 -1.7440E+03
HC            4025    1.008000    0.040000
 -4.4563E+00 -8.8263E+00 -1.8740E+01
 -7.4242E+00 -2.9176E+00  4.5996E+00
  7.1109E+02  3.3643E+02  1.0106E+03
HC            4026    1.008000    0.040000
 -5.4992E+00 -7.4681E+00 -1.9208E+01
 -2.4041E+01 -1.9819E+01  2.3701E+00
 -2.4487E+03 -2.9568E+03  4.4933E+02
CT            4027   12.011000    0.145000
 -9.5553E+00 -1.9506E+01 -1.6631E+01
 -5.2857E-01 -8.4326E-01 -8.5616E-01
  1.4448E+03  2.7651E+03  2.5192E+03
OH            4028    0.000000   -0.683000
 -1.0599E+01 -1.9773E+01 -1.5721E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4029    1.008000    0.418000
 -1.0882E+01  2.0323E+01 -1.6130E+01
 -2.0466E+01  1.2722E+01 -1.2615E+01
 -5.0417E+03  1.6314E+03  1.1889E+03
HC            4030    1.008000    0.040000
 -8.8939E+00 -1.8711E+01 -1.6285E+01
  1.3817E+01 -1.4087E+01  3.2872E+00
 -4.9772E+02 -1.6022E+02  1.1297E+03
HC            4031    1.008000    0.040000
 -9.8853E+00 -1.9222E+01 -1.7630E+01
 -1.0268E+01 -6.2770E+00  6.8877E-01
 -1.5405E+03 -1.1728E+03  4.0162E+02
HC            4032    1.008000    0.040000
 -8.8765E+00 -2.0353E+01 -1.6727E+01
  1.5859E+01  1.2294E+01 -5.8021E+00
 -3.8392E+02  4.4728E+02 -2.2347E+02
CT            4033   12.011000    0.145000
 -7.9160E+00 -8.9924E-01  1.2380E+01
 -6.9965E-01 -2.0487E+00 -3.4737E+00
  7.7671E+03  2.4619E+03  3.8075E+03
OH            4034    0.000000   -0.683000
 -7.9120E+00  3.1702E-01  1.1667E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4035    1.008000    0.418000
 -8.7991E+00  2.8275E-01  1.1343E+01
 -5.3129E-01 -2.3491E+01  2.2201E+00
  1.5835E+03 -4.1196E+02 -2.5428E+03
HC            4036    1.008000    0.040000
 -8.5353E+00 -1.0409E+00  1.3266E+01
 -1.0183E+01 -2.1423E+01 -1.2584E+01
 -1.8707E+03  1.3697E+03 -1.8157E+03
HC            4037    1.008000    0.040000
 -6.9160E+00 -7.2593E-01  1.2778E+01
  4.7881E+00  2.5212E+00 -1.8563E+01
  8.2133E+02 -3.4296E+03  5.1749E+02
HC            4038    1.008000    0.040000
 -7.9098E+00 -1.8323E+00  1.1817E+01
 -7.8668E+00 -5.1592E+00  1.4467E+00
 -4.5494E+02  8.3691E+02 -5.8592E+02
CT            4039   12.011000    0.145000
  8.6853E+00 -6.2321E-01  1.7452E+01
  2.3818E+00  4.7717E+00 -6.7482E+00
 -1.0404E+03  4.0429E+03 -8.5507E+02
OH            4040    0.000000   -0.683000
  9.6696E+00 -3.1843E-03  1.8249E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4041    1.008000    0.418000
  9.3570E+00  8.3891E-01  1.8542E+01
  7.3422E+00  1.2738E+01 -2.5730E+01
 -3.3345E+03 -1.3876E+03 -2.4354E+03
HC            4042    1.008000    0.040000
  9.0499E+00 -1.4777E+00  1.6882E+01
  1.3620E+01  1.5371E+01 -1.6016E+01
  3.2056E+03  1.1851E+03  1.1414E+03
HC            4043    1.008000    0.040000
  8.4178E+00  1.8423E-01  1.6771E+01
 -7.8738E+00  1.0158E+01  3.3129E+00
 -2.3380E+03 -1.6215E+03 -1.1439E+03
HC            4044    1.008000    0.040000
  7.8140E+00 -1.0599E+00  1.7940E+01
  9.4441E+00  7.5402E+00  8.9605E+00
  7.2575E+00  3.5489E+03  2.7027E+03
CT            4045   12.011000    0.145000
  1.8169E+01  1.8728E+01  1.9357E+01
  2.5564E+00  5.7780E-01 -2.9023E+00
 -3.9152E+02  2.0215E+03  4.0883E+01
OH            4046    0.000000   -0.683000
  1.7120E+01  1.8635E+01  1.8420E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4047    1.008000    0.418000
  1.7487E+01  1.8334E+01  1.7603E+01
 -6.8183E+00 -2.3748E+00 -2.2606E+00
 -2.0952E+02 -3.8856E+03  1.4098E+03
HC            4048    1.008000    0.040000
  1.7746E+01  1.9467E+01  2.0038E+01
  2.1637E+01 -8.6622E+00  2.0447E+01
  3.1955E+03 -1.0967E+03  2.6497E+03
HC            4049    1.008000    0.040000
  1.9097E+01  1.9124E+01  1.8944E+01
  3.2590E+00  1.7453E+01  1.3470E+01
 -3.8491E+02  1.9097E+02  5.0393E+02
HC            4050    1.008000    0.040000
  1.8324E+01  1.7734E+01  1.9778E+01
  8.0646E+00 -6.9616E+00 -2.1705E+01
 -5.8984E+02  1.0313E+03  9.2385E+02
CT            4051   12.011000    0.145000
 -1.5564E+01 -8.1442E+00  1.7101E+01
 -6.2190E+00 -8.1893E-01 -5.6093E+00
 -6.8315E+03 -2.5164E+02 -4.7267E+03
OH            4052    0.000000   -0.683000
 -1.6217E+01 -9.0432E+00  1.7969E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4053    1.008000    0.418000
 -1.6957E+01 -9.4514E+00  1.7545E+01
  7.3411E+00  3.0121E+00 -1.6503E+01
 -1.0025E+03  3.9993E+03 -1.4914E+03
HC            4054    1.008000    0.040000
 -1.4477E+01 -8.0671E+00  1.7125E+01
 -7.1541E+00  1.4014E+01  1.4091E+01
 -9.7316E+02 -1.5594E+02  3.3522E+03
HC            4055    1.008000    0.040000
 -1.5986E+01 -7.1397E+00  1.7140E+01
  1.6847E+01  9.3970E+00 -3.0181E+00
  1.6665E+03  3.7572E+02  2.7371E+03
HC            4056    1.008000    0.040000
 -1.5781E+01 -8.3661E+00  1.6056E+01
 -3.9538E+00 -3.8802E+01  5.6608E-01
 -3.1787E+02 -3.5829E+03  1.2113E+03
CT            4057   12.011000    0.145000
 -2.0251E+01  1.5102E+01  4.6708E+00
 -4.7018E+00 -4.2030E+00 -1.9417E+00
 -4.5365E+03 -3.1052E+03  5.7339E+02
OH            4058    0.000000   -0.683000
  1.9786E+01  1.6190E+01  4.4268E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4059    1.008000    0.418000
  1.9008E+01  1.6139E+01  4.9615E+00
  6.1262E+00  2.2570E+00  9.3678E+00
  5.3118E+02 -3.0176E+03  1.8827E+02
HC            4060    1.008000    0.040000
 -1.9720E+01  1.4831E+01  3.7584E+00
  3.7642E+00 -1.8617E+01  6.8791E+00
  1.3092E+03 -5.4969E+02  1.3901E+03
HC            4061    1.008000    0.040000
  1.9848E+01  1.4393E+01  4.8815E+00
  1.0601E+01 -1.7373E+01  1.5187E+01
  3.2143E+03 -3.6914E+03  6.7359E+02
HC            4062    1.008000    0.040000
 -1.9650E+01  1.5183E+01  5.5765E+00
 -2.4746E+01 -3.9671E+00  1.1993E+01
 -4.1807E+02  2.4778E+02 -6.7834E+02
CT            4063   12.011000    0.145000
 -9.9654E+00 -7.3931E+00 -6.8996E+00
 -6.2456E+00  2.3589E+00  1.2891E-01
 -5.1825E+02 -2.4713E+03 -1.2419E+03
OH            4064    0.000000   -0.683000
 -9.8266E+00 -6.9714E+00 -8.2379E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4065    1.008000    0.418000
 -9.6319E+00 -7.7508E+00 -8.7355E+00
 -2.6850E+00  8.3900E+00 -1.4789E+01
  8.2852E+02 -2.2908E+02  1.5082E+03
HC            4066    1.008000    0.040000
 -9.2914E+00 -8.2317E+00 -6.7250E+00
 -1.0953E+01  2.9075E+00  2.4449E+01
  1.9947E+03  2.5404E+03  2.9681E+03
HC            4067    1.008000    0.040000
 -1.0908E+01 -7.9222E+00 -6.7614E+00
 -5.4370E+00  2.2288E+00  5.3470E+00
 -9.5949E+02  1.7568E+03  1.0168E+03
HC            4068    1.008000    0.040000
 -9.8686E+00 -6.6365E+00 -6.1209E+00
  5.6467E-01 -3.6236E-01  1.9999E+00
  8.2447E+02  1.7283E+02 -6.3883E+02
CT            4069   12.011000    0.145000
 -1.8636E+01  1.4821E+01  1.6949E+01
  8.2447E-01  6.8452E+00 -5.5632E+00
 -4.1895E+02  2.8596E+03 -2.3235E+03
OH            4070    0.000000   -0.683000
 -1.9749E+01  1.4351E+01  1.6221E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4071    1.008000    0.418000
 -1.9664E+01  1.4664E+01  1.5334E+01
 -1.2011E+01 -1.4759E+01 -6.8119E+00
  1.2204E+02  5.2419E+02  7.2611E+02
HC            4072    1.008000    0.040000
 -1.8396E+01  1.4454E+01  1.7947E+01
  3.4942E+01 -2.1498E+01 -2.1947E+01
 -6.6267E+02 -3.5018E+03 -3.1855E+03
HC            4073    1.008000    0.040000
 -1.8712E+01  1.5897E+01  1.7103E+01
  2.4380E+00  6.0502E+00  1.1009E+00
 -8.0945E+01  3.5672E+02 -1.6235E+03
HC            4074    1.008000    0.040000
 -1.7780E+01  1.4606E+01  1.6310E+01
  1.3728E+01 -1.5867E+01  1.7434E+01
  1.4078E+03 -2.8351E+02  3.1861E+03
CT            4075   12.011000    0.145000
 -6.2760E-01 -1.8854E+01 -1.7473E+01
 -4.5197E+00  4.6585E+00 -7.4645E-01
  2.3275E+03 -3.6826E+03  3.1426E+03
OH            4076    0.000000   -0.683000
 -1.6011E+00 -1.9846E+01 -1.7711E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4077    1.008000    0.418000
 -2.0954E+00 -1.9979E+01 -1.6917E+01
 -1.4158E+01 -2.0532E+01 -1.1292E+01
 -3.2273E+02 -2.3575E+03 -1.2266E+03
HC            4078    1.008000    0.040000
 -9.3599E-01 -1.7818E+01 -1.7610E+01
 -1.5652E+01  2.2045E+00  4.5967E+00
 -3.2989E+02 -7.9497E+02 -1.0366E+03
HC            4079    1.008000    0.040000
  3.3232E-01 -1.9114E+01 -1.7919E+01
  1.1715E+01  1.8002E+01  2.4042E+01
 -1.2094E+03  2.1201E+03 -1.4468E+03
HC            4080    1.008000    0.040000
 -3.3206E-01 -1.8988E+01 -1.6432E+01
  7.3248E+00 -7.5339E+00 -5.3744E+00
 -3.6360E+02  8.1684E+02  1.8627E+02
CT            4081   12.011000    0.145000
 -5.2660E+00  1.6649E+01 -4.6217E+00
 -2.0968E+00  3.1667E+00 -2.5721E+00
 -3.1441E+03  3.7388E+03 -2.2627E+03
OH            4082    0.000000   -0.683000
 -4.6580E+00  1.7666E+01 -3.8571E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4083    1.008000    0.418000
 -4.0096E+00  1.7125E+01 -3.4329E+00
  1.7645E+01  9.6426E+00 -1.3304E+01
  1.3392E+02  4.5517E+03  3.9832E+03
HC            4084    1.008000    0.040000
 -5.8937E+00  1.7194E+01 -5.3267E+00
  4.9906E+00  1.2050E+01 -2.2005E+00
  2.0861E+02 -8.0119E+02 -1.2409E+03
HC            4085    1.008000    0.040000
 -5.9646E+00  1.6023E+01 -4.0665E+00
 -1.5843E+01  1.7443E+01 -3.0651E+00
  1.3963E+03  3.2865E+02  1.0202E+03
HC            4086    1.008000    0.040000
 -4.5736E+00  1.6011E+01 -5.1711E+00
  2.0100E+00 -6.5398E+00  1.3217E+01
  5.0145E+02  8.4494E+02  7.3355E+02
CT            4087   12.011000    0.145000
 -4.9437E+00 -5.9574E+00  1.1089E+01
  2.8085E+00 -4.3380E+00 -3.4244E+00
 -1.5541E+03  3.2012E+03  2.2999E+03
OH            4088    0.000000   -0.683000
 -4.1761E+00 -4.9554E+00  1.0461E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4089    1.008000    0.418000
 -4.0341E+00 -4.1565E+00  1.0945E+01
  6.0430E+00  4.9305E+00 -9.5859E+00
  8.5882E+02 -1.4370E+03  1.6328E+03
HC            4090    1.008000    0.040000
 -4.3253E+00 -6.4635E+00  1.1830E+01
 -7.7396E+00 -5.7024E+00  4.6847E+00
 -1.2404E+03 -1.0420E+03  3.8862E+01
HC            4091    1.008000    0.040000
 -5.4401E+00 -6.6525E+00  1.0412E+01
  3.9829E+00 -9.8506E+00  1.2940E+00
  3.0799E+03 -1.0634E+03 -7.1542E+02
HC            4092    1.008000    0.040000
 -5.7975E+00 -5.5597E+00  1.1638E+01
  1.3851E+01 -7.6717E+00  1.7198E+01
  1.4542E+03  1.5225E+03  9.1362E+02
CT            4093   12.011000    0.145000
 -1.5291E+01 -4.6617E+00 -4.4096E+00
  9.9200E-01 -8.4337E+00  1.3922E+00
  8.2796E+02 -2.1718E+03 -1.7339E+03
OH            4094    0.000000   -0.683000
 -1.6473E+01 -4.9119E+00 -5.1359E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4095    1.008000    0.418000
 -1.7041E+01 -5.2382E+00 -4.4543E+00
 -1.1707E+01 -3.0041E+01 -2.1895E+01
 -1.1621E+03 -1.1313E+03 -3.1117E+03
HC            4096    1.008000    0.040000
 -1.4508E+01 -4.4690E+00 -5.1432E+00
 -1.0023E+01 -6.8140E+00 -1.0290E+01
 -3.2323E+01  1.9427E+03  7.0542E+02
HC            4097    1.008000    0.040000
 -1.4909E+01 -5.5528E+00 -3.9109E+00
  3.3728E+01  2.5948E+00 -1.5277E+00
 -1.7697E+02  1.5921E+03  8.3714E+02
HC            4098    1.008000    0.040000
 -1.5484E+01 -3.7976E+00 -3.7739E+00
  7.7006E+00  1.2093E+01 -2.2822E+01
  1.7582E+03 -1.1154E+03 -1.0079E+02
CT            4099   12.011000    0.145000
 -5.5594E+00 -1.4923E+01  1.8052E+01
 -5.2963E+00  4.3070E-01  5.0326E+00
 -3.0407E+03 -5.7351E+02 -3.4320E+02
OH            4100    0.000000   -0.683000
 -5.5075E+00 -1.6322E+01  1.8216E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4101    1.008000    0.418000
 -6.2553E+00 -1.6668E+01  1.8679E+01
  6.0324E+00 -3.3516E+01 -1.2426E+01
  1.2526E+02  1.3673E+03 -1.8513E+03
HC            4102    1.008000    0.040000
 -5.8275E+00 -1.4262E+01  1.8876E+01
 -7.5658E+00 -7.7969E+00  1.1026E+01
  1.5636E+03 -3.0584E+03  2.9801E+03
HC            4103    1.008000    0.040000
 -6.4150E+00 -1.4718E+01  1.7409E+01
  2.7394E+00 -9.1345E+00 -9.2492E+00
  2.4909E+03 -5.2707E+01 -3.5021E+03
HC            4104    1.008000    0.040000
 -4.5811E+00 -1.4634E+01  1.7668E+01
 -9.2478E+00 -2.6960E+00 -7.8867E+00
 -2.0051E+03  1.6796E+03 -3.0230E+03
CT            4105   12.011000    0.145000
 -2.0326E+01 -2.2257E+00  7.3463E+00
  1.9466E+00  1.1224E+00 -2.6643E-01
 -2.4207E+03 -5.1905E+03 -9.5523E+02
OH            4106    0.000000   -0.683000
  2.0160E+01 -1.8170E+00  6.0619E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4107    1.008000    0.418000
  1.9747E+01 -9.7687E-01  6.1913E+00
 -1.9886E+01 -1.0907E+01  1.2581E+01
 -2.1662E+02 -9.0816E+02  6.3019E+02
HC            4108    1.008000    0.040000
  1.9760E+01 -2.9078E+00  7.5917E+00
  3.1759E+00 -3.0824E+00 -7.5811E+00
  2.2690E+02 -2.2058E+02  1.4379E+03
HC            4109    1.008000    0.040000
 -2.0352E+01 -1.5544E+00  8.2046E+00
 -2.4330E+01 -1.4427E+01  1.2371E+01
  1.2534E+03  1.0444E+03 -2.9603E+03
HC            4110    1.008000    0.040000
 -1.9505E+01 -2.9432E+00  7.3657E+00
 -2.3459E+01 -3.0089E+01  1.4619E+01
 -6.0104E+02  2.1225E+03 -4.1588E+02
CT            4111   12.011000    0.145000
  1.9041E+01  6.0683E+00  8.7523E+00
 -1.0817E+00 -2.0908E+00  6.8165E+00
  2.8860E+02  4.1690E+03  7.9529E+02
OH            4112    0.000000   -0.683000
  1.7666E+01  6.3445E+00  8.6111E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4113    1.008000    0.418000
  1.7507E+01  7.0917E+00  9.1672E+00
  4.2092E+00  6.1293E+00 -6.8463E+00
 -8.0913E+02  2.7064E+02 -7.6030E+02
HC            4114    1.008000    0.040000
  1.9335E+01  5.0989E+00  8.3496E+00
 -6.3994E+00 -2.8922E+00  4.7869E+00
 -1.5515E+03 -5.7537E+02  1.1825E+03
HC            4115    1.008000    0.040000
  1.9246E+01  6.2678E+00  9.8042E+00
 -7.7113E+00  7.2959E+00  6.4484E+00
  8.7222E+02 -3.4931E+03  3.1615E+02
HC            4116    1.008000    0.040000
  1.9674E+01  6.8186E+00  8.2775E+00
 -1.8549E+01  1.4429E+01  8.4420E+00
 -1.8332E+03  6.5478E+02 -9.7405E+02
CT            4117   12.011000    0.145000
 -3.3523E-01  4.6893E+00  6.3978E+00
  3.8257E-01 -2.1071E+00  6.0094E-01
  8.2334E+02  1.1094E+03  3.7223E+03
OH            4118    0.000000   -0.683000
  1.0266E+00  4.8445E+00  6.0668E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4119    1.008000    0.418000
  1.1372E+00  5.7331E+00  6.3688E+00
 -1.6923E+01  7.4721E+00 -1.4004E+01
  5.0352E+02 -7.5706E+02  4.4710E+01
HC            4120    1.008000    0.040000
 -3.7129E-01  4.8508E+00  7.4751E+00
  3.5048E+01 -1.7936E+01  5.5041E+00
  8.5976E+02 -1.3183E+03 -6.7054E+02
HC            4121    1.008000    0.040000
 -7.6859E-01  3.6943E+00  6.2966E+00
  1.2824E+01 -1.1464E+01  2.8989E+01
  1.2856E+03  1.0631E+03 -1.7681E+03
HC            4122    1.008000    0.040000
 -9.0494E-01  5.5379E+00  6.0189E+00
  1.2368E+01  6.2998E+00  8.4054E-01
 -3.9858E+02 -1.8034E+03 -2.3697E+03
CT            4123   12.011000    0.145000
  1.0668E+01  5.9964E+00  3.7732E+00
 -1.3543E+00  8.8547E+00 -2.5777E+00
 -1.4960E+03  1.5696E+03 -1.2390E+03
OH            4124    0.000000   -0.683000
  1.0727E+01  5.6019E+00  2.4208E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4125    1.008000    0.418000
  1.1624E+01  5.6814E+00  2.1362E+00
 -2.1755E-01  3.1121E+01  4.5321E+00
 -2.2001E+02 -1.1349E+03  2.8720E+03
HC            4126    1.008000    0.040000
  1.1063E+01  5.2776E+00  4.4908E+00
 -5.5215E-01 -4.1577E+00 -1.5583E+01
  1.3918E+03 -3.4535E+02 -1.7488E+03
HC            4127    1.008000    0.040000
  9.6178E+00  6.1242E+00  4.0366E+00
  4.2783E-01  6.9216E+00  5.7539E+00
  5.3943E+01  1.5389E+02  3.7100E+02
HC            4128    1.008000    0.040000
  1.1112E+01  6.9854E+00  3.8858E+00
 -1.4618E+01  1.4312E+01  4.0444E+00
  2.2628E+02 -4.0277E+02  9.1354E+02
CT            4129   12.011000    0.145000
 -1.6567E+01  5.4922E+00 -7.9603E+00
 -1.6350E+00 -1.8370E+00  2.9188E+00
  1.5442E+03 -3.0251E+02  4.1707E+03
OH            4130    0.000000   -0.683000
 -1.7236E+01  6.6781E+00 -7.5937E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4131    1.008000    0.418000
 -1.6637E+01  7.3658E+00 -7.3466E+00
 -4.3541E+00 -2.7837E+00  2.0033E+01
  6.7862E+02 -1.2976E+03  3.1456E+02
HC            4132    1.008000    0.040000
 -1.5699E+01  5.1570E+00 -7.3926E+00
  3.2174E+01  1.7271E+01 -3.2609E+01
 -7.0706E+02  4.1073E+03 -3.7485E+02
HC            4133    1.008000    0.040000
 -1.6222E+01  5.5752E+00 -8.9910E+00
 -1.9216E+01 -1.2428E+01 -4.2760E+00
 -6.8095E+02 -2.0607E+03  2.4496E+02
HC            4134    1.008000    0.040000
 -1.7294E+01  4.6944E+00 -7.8088E+00
 -6.3579E+00  6.5871E-02 -8.6713E+00
 -1.0628E+03  2.7156E+02 -3.7060E+03
CT            4135   12.011000    0.145000
  1.7013E+01 -1.0998E+01  1.4236E+01
 -1.2631E+00  5.6525E-01 -4.3908E+00
 -1.4954E+03  6.9184E+02 -4.6873E+03
OH            4136    0.000000   -0.683000
  1.6483E+01 -9.7315E+00  1.4556E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4137    1.008000    0.418000
  1.6504E+01 -9.7715E+00  1.5500E+01
 -4.5008E+00  3.3415E+00  2.7512E-01
 -2.8043E+03  3.4671E+03  2.3637E+02
HC            4138    1.008000    0.040000
  1.6816E+01 -1.1419E+01  1.3250E+01
  7.1563E+00 -2.3622E+01  3.5132E+00
  2.0540E+01  3.2898E+03 -7.2259E+02
HC            4139    1.008000    0.040000
  1.6551E+01 -1.1784E+01  1.4833E+01
  7.8638E+00  1.1958E+01  1.8925E+01
  2.6128E+03  1.2716E+03  2.7296E+03
HC            4140    1.008000    0.040000
  1.8098E+01 -1.0939E+01  1.4326E+01
 -3.0379E+00  2.2301E+01  1.0333E+01
 -8.7591E+02 -1.0975E+03  1.9775E+03
CT            4141   12.011000    0.145000
  4.3387E+00  1.5261E+00 -1.5032E+01
  4.4359E-01 -1.1165E+00  1.0256E+00
 -8.0989E+02 -1.5979E+03  1.2120E+03
OH            4142    0.000000   -0.683000
  4.5109E+00  6.1843E-01 -1.6097E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4143    1.008000    0.418000
  4.5925E+00 -2.1890E-01 -1.5667E+01
  3.0506E+01 -9.2324E+00 -2.0411E+01
  3.1520E+02  7.0464E+02 -1.7071E+03
HC            4144    1.008000    0.040000
  5.1450E+00  1.5276E+00 -1.4299E+01
 -1.2757E+01  1.0257E+01  1.6243E+01
  2.7070E+02  2.9549E+02 -1.1100E+03
HC            4145    1.008000    0.040000
  3.4707E+00  1.2304E+00 -1.4443E+01
  1.0085E+00 -6.6036E+00 -8.3868E-01
 -7.8620E+01 -7.8457E+02 -2.7142E+02
HC            4146    1.008000    0.040000
  4.1190E+00  2.5591E+00 -1.5302E+01
  6.1541E+00  1.7224E-01  1.1835E+00
  1.3487E+03 -6.3948E+02 -2.8794E+03
CT            4147   12.011000    0.145000
 -6.3155E-01  9.4802E+00 -1.9100E+01
  6.8519E-01  3.7913E+00 -2.5883E+00
  5.2478E+02  7.0317E+02  2.2157E+02
OH            4148    0.000000   -0.683000
 -1.4910E+00  1.0209E+01 -1.8252E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4149    1.008000    0.418000
 -1.3518E+00  1.1088E+01 -1.8570E+01
  5.3495E+00 -1.7268E-01  1.7653E+00
  1.8472E+03  5.9735E+02  2.4478E+03
HC            4150    1.008000    0.040000
  2.0843E-01  1.0149E+01 -1.9288E+01
  4.1415E+00 -2.4967E+00 -1.0092E+01
  1.2179E+03 -1.8045E+03 -1.2598E+03
HC            4151    1.008000    0.040000
 -1.1588E+00  9.2166E+00 -2.0017E+01
 -6.9828E+00 -7.8151E+00  4.8862E+00
  1.0689E+03 -4.2104E+02 -1.4057E+02
HC            4152    1.008000    0.040000
 -2.9348E-01  8.5883E+00 -1.8572E+01
 -1.4502E+00  9.2683E-01 -6.0170E+00
 -2.9688E+02 -1.3695E+02 -1.2817E+02
CT            4153   12.011000    0.145000
  2.0431E-01 -1.8108E+00 -1.0323E+00
  3.8871E+00 -1.4614E+00 -7.7930E+00
  3.3849E+03  8.8549E+02 -2.7806E+03
OH            4154    0.000000   -0.683000
  1.1782E+00 -2.6013E+00 -3.8825E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4155    1.008000    0.418000
  2.0351E+00 -2.4012E+00 -7.3288E-01
  1.5615E+00 -6.7303E+00 -1.6351E-01
 -4.2848E+02  1.6064E+03  1.5655E+02
HC            4156    1.008000    0.040000
  4.3077E-01 -1.8166E+00 -2.0985E+00
  2.9154E+01 -2.0345E+01 -3.2756E+00
  1.1899E+02 -1.3436E+03  6.0535E+02
HC            4157    1.008000    0.040000
  3.2356E-01 -7.6095E-01 -7.6436E-01
  6.6624E+00  1.1070E-01 -1.4959E+01
 -9.7068E+02 -3.6905E+02  1.5422E+03
HC            4158    1.008000    0.040000
 -8.2644E-01 -2.1411E+00 -9.0371E-01
 -1.5060E-01  1.1900E+01 -4.2173E+00
  5.4991E+02  4.2476E+02  1.4222E+03
CT            4159   12.011000    0.145000
 -3.6134E+00 -1.2833E+01  1.5098E+01
 -1.3380E+00 -8.9402E-01  1.1207E-01
 -1.9424E+03 -5.9868E+03  2.8045E+02
OH            4160    0.000000   -0.683000
 -3.7042E+00 -1.2870E+01  1.3691E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4161    1.008000    0.418000
 -4.0731E+00 -1.3691E+01  1.3402E+01
  1.8199E+01 -4.9042E+00 -1.0953E+01
  1.6153E+02  4.9550E+02  4.6122E+01
HC            4162    1.008000    0.040000
 -4.5574E+00 -1.2590E+01  1.5586E+01
  1.1735E-01  1.2796E+01 -3.4655E+00
 -7.3072E+02  2.4724E+02 -1.7520E+03
HC            4163    1.008000    0.040000
 -2.9004E+00 -1.2223E+01  1.5653E+01
 -5.9072E+00 -5.2254E+00  1.1015E+01
  4.2797E+02  1.8362E+03 -4.0844E+03
HC            4164    1.008000    0.040000
 -3.3589E+00 -1.3855E+01  1.5379E+01
  1.2571E+00 -1.6061E+01 -4.8210E+01
 -2.9185E+02  1.2342E+03 -1.8833E+03
CT            4165   12.011000    0.145000
  9.0439E+00  2.0814E+00 -1.7705E+01
  6.0419E+00 -1.5141E+00  9.6133E-01
 -2.3742E+03  1.9338E+03 -1.2680E+03
OH            4166    0.000000   -0.683000
  9.1450E+00  3.1161E+00 -1.6752E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4167    1.008000    0.418000
  9.7794E+00  3.7034E+00 -1.7134E+01
 -3.7403E+00  1.1551E+01  1.0861E+01
  7.7190E+02 -4.7948E+02  1.2089E+03
HC            4168    1.008000    0.040000
  9.9730E+00  1.8906E+00 -1.8242E+01
  2.4193E+00 -8.2508E+00 -3.0504E+00
  5.6816E+02 -2.1693E+03  2.2039E+03
HC            4169    1.008000    0.040000
  8.3986E+00  2.3897E+00 -1.8527E+01
 -2.7147E+00  3.2172E+00  9.3971E+00
 -2.3500E+02  1.5926E+03  6.0864E+02
HC            4170    1.008000    0.040000
  8.4937E+00  1.1963E+00 -1.7385E+01
 -3.8861E-02  8.6980E-01 -2.7319E+00
  2.2010E+03 -5.1103E+02  1.6438E+03
CT            4171   12.011000    0.145000
  1.2531E+01  9.8682E+00 -1.0397E+01
  2.5782E+00 -3.6320E+00  6.7706E+00
  2.1472E+03 -3.1063E+03  1.2165E+03
OH            4172    0.000000   -0.683000
  1.3801E+01  1.0453E+01 -1.0576E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4173    1.008000    0.418000
  1.3838E+01  1.1062E+01 -1.1299E+01
  2.4428E+01 -4.0854E+00 -3.0442E+00
 -3.6990E+03 -2.0246E+03 -5.3110E+02
HC            4174    1.008000    0.040000
  1.2344E+01  8.9845E+00 -1.1007E+01
  1.6330E+00  1.3325E+01 -1.9070E+01
  1.4125E+03  1.9796E+03 -2.5953E+03
HC            4175    1.008000    0.040000
  1.1705E+01  1.0563E+01 -1.0550E+01
  1.4079E+01  1.0375E+01  6.1890E+00
  1.0944E+03  5.5476E+02  4.9416E+02
HC            4176    1.008000    0.040000
  1.2480E+01  9.4511E+00 -9.3910E+00
  7.5123E-01  1.4369E+01  1.4529E+01
 -3.0806E+02  2.2161E+03  9.0814E+02
CT            4177   12.011000    0.145000
 -9.8755E+00  1.2540E+00 -2.9759E-01
 -6.0698E+00  2.5022E+00  2.0310E+00
  2.7555E+03 -2.9090E+03  6.5524E+02
OH            4178    0.000000   -0.683000
 -1.0530E+01  2.4210E-01 -1.0298E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4179    1.008000    0.418000
 -1.0829E+01 -4.3125E-01 -4.3784E-01
  6.0137E+00 -4.1472E+00 -1.5875E+00
  1.6596E+03  1.6723E+03  2.5962E+03
HC            4180    1.008000    0.040000
 -8.8443E+00  9.5762E-01 -1.0584E-01
 -3.4789E+00  7.2533E+00 -4.2055E+00
  6.0309E+02  7.3640E+01 -1.5781E+03
HC            4181    1.008000    0.040000
 -1.0247E+01  1.2890E+00  7.2651E-01
 -1.1526E+01 -8.1600E+00  5.5773E-01
 -2.2749E+03  2.8260E+03 -1.2034E+03
HC            4182    1.008000    0.040000
 -9.9129E+00  2.1936E+00 -8.4869E-01
 -3.9749E+01  1.2076E+01  1.7951E+01
 -5.1410E+02 -1.5683E+02  2.5117E+03
CT            4183   12.011000    0.145000
 -7.7690E+00  8.1476E+00 -1.0665E+01
 -6.2879E-01 -1.3911E+00 -1.6680E+00
  4.2688E+03 -1.2100E+03 -2.1424E+03
OH            4184    0.000000   -0.683000
 -7.8820E+00  9.2491E+00 -1.1538E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4185    1.008000    0.418000
 -7.5357E+00  9.9292E+00 -1.0981E+01
  4.5474E+00 -1.9184E+01  2.2161E+01
  1.4327E+03  2.2437E+02 -3.3127E+03
HC            4186    1.008000    0.040000
 -6.7004E+00  7.9676E+00 -1.0548E+01
  3.8555E+00  1.9953E+01 -5.5788E+00
  1.8700E+01  8.0030E+02  5.6144E+02
HC            4187    1.008000    0.040000
 -8.1115E+00  7.1957E+00 -1.1071E+01
  4.8023E-01 -1.7644E+01  3.2066E+01
 -2.4514E+03  1.4724E+03  1.7084E+03
HC            4188    1.008000    0.040000
 -8.1953E+00  8.3588E+00 -9.6844E+00
 -3.6521E+01 -6.5444E+00 -1.4647E+01
 -1.7779E+03 -1.7728E+03 -1.8568E+03
CT            4189   12.011000    0.145000
  1.3052E+01  6.0929E+00 -8.0591E+00
  8.7170E-02 -3.6957E+00  4.2118E+00
  4.7109E+02 -3.5479E+03  4.6716E+02
OH            4190    0.000000   -0.683000
  1.1696E+01  5.7909E+00 -8.3035E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4191    1.008000    0.418000
  1.1711E+01  4.8463E+00 -8.2793E+00
 -7.8330E+00 -3.4430E-01 -5.2041E+00
 -5.2532E+03 -4.5579E+01  1.0923E+03
HC            4192    1.008000    0.040000
  1.3668E+01  5.8136E+00 -8.9137E+00
 -2.8032E+00  1.0028E+01 -2.6427E+00
 -4.3772E+02  1.7783E+03 -8.5201E+02
HC            4193    1.008000    0.040000
  1.3467E+01  5.4498E+00 -7.2833E+00
  6.2891E-01 -1.1667E+01 -2.5456E+00
 -2.1663E+03 -2.5368E+03 -6.9282E+02
HC            4194    1.008000    0.040000
  1.3350E+01  7.0646E+00 -7.6651E+00
 -4.0141E+00  3.6185E+00 -1.0036E+01
 -3.6097E+03  2.3273E+03 -3.6644E+03
CT            4195   12.011000    0.145000
  1.7509E+00  3.5122E+00  1.4783E+01
 -5.4273E-01 -1.8793E-01  5.7592E-01
  2.2786E+03 -3.2191E+02 -4.1311E+03
OH            4196    0.000000   -0.683000
  2.6712E+00  2.6098E+00  1.5355E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4197    1.008000    0.418000
  3.1482E+00  2.2571E+00  1.4619E+01
 -4.0999E+00  1.3002E+01 -9.2612E+00
 -1.0276E+03  4.9112E+02 -6.1340E+02
HC            4198    1.008000    0.040000
  1.1573E+00  4.0688E+00  1.5508E+01
  2.4219E+00 -8.3976E+00  9.5197E+00
  2.2782E+01 -7.0200E+02 -1.4736E+02
HC            4199    1.008000    0.040000
  1.1075E+00  2.9535E+00  1.4103E+01
 -1.7064E+01 -1.2666E+01  2.4967E+01
 -8.3254E+02  8.5172E+02  1.1766E+03
HC            4200    1.008000    0.040000
  2.3386E+00  4.2153E+00  1.4193E+01
 -1.8262E+01  1.5645E+01  8.3741E-01
 -1.2633E+03  1.3209E+03  4.6977E+02
CT            4201   12.011000    0.145000
 -1.1200E+01  1.7663E+01  1.7124E+01
  1.3584E+00 -5.5500E-01 -3.9695E-01
  2.0159E+03 -5.3442E+02 -9.3280E+02
OH            4202    0.000000   -0.683000
 -1.0569E+01  1.8654E+01  1.7904E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4203    1.008000    0.418000
 -1.0950E+01  1.9501E+01  1.7732E+01
 -5.7768E+00 -5.9512E+00 -1.8994E+01
 -2.2008E+03 -1.5666E+03 -1.3201E+03
HC            4204    1.008000    0.040000
 -1.0637E+01  1.6739E+01  1.7258E+01
  2.1622E+01  1.2198E+01  7.0139E+00
 -2.0889E+03 -2.3749E+02  2.2969E+03
HC            4205    1.008000    0.040000
 -1.0937E+01  1.7932E+01  1.6101E+01
  1.4950E+01  3.4307E+00  3.9414E+00
 -4.6708E+03  8.5828E+02 -5.7386E+02
HC            4206    1.008000    0.040000
 -1.2212E+01  1.7625E+01  1.7527E+01
  3.0194E+00 -3.6640E+01  3.6885E+00
 -2.4361E+02 -2.0948E+03 -4.1512E+03
CT            4207   12.011000    0.145000
  1.3585E+01  9.4998E+00  1.0192E+01
  5.7566E-01 -6.0883E+00 -6.8971E+00
 -4.1761E+03 -2.0986E+03  2.8922E+03
OH            4208    0.000000   -0.683000
  1.4336E+01  8.6434E+00  1.1023E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4209    1.008000    0.418000
  1.5163E+01  8.5945E+00  1.0568E+01
 -1.0040E+01  2.3224E+01 -2.3354E+01
 -9.5461E+02  3.6074E+02  8.8500E+02
HC            4210    1.008000    0.040000
  1.4138E+01  9.9840E+00  9.3869E+00
  1.0738E+01 -1.2530E+01 -3.9803E+00
  1.0864E+03  1.6599E+03  2.5057E+03
HC            4211    1.008000    0.040000
  1.2944E+01  1.0071E+01  1.0863E+01
  1.7076E+01 -1.9210E+01  2.1962E+01
  4.2283E+03  2.7938E+03  3.1199E+02
HC            4212    1.008000    0.040000
  1.2741E+01  9.0243E+00  9.6925E+00
  2.3138E+00 -1.7940E+01  1.0367E+00
  1.6545E+03 -4.6309E+03  1.1041E+03
CT            4213   12.011000    0.145000
  1.5671E+01  2.0317E+01 -8.5617E+00
 -6.1529E+00 -3.7165E+00  3.1319E+00
  2.3602E+03 -3.3637E+03 -5.7363E+03
OH            4214    0.000000   -0.683000
  1.6551E+01  1.9476E+01 -7.8504E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4215    1.008000    0.418000
  1.6205E+01  1.9430E+01 -6.9725E+00
  2.2769E+01 -3.2341E+00  9.5278E+00
  7.2433E+02 -2.1575E+03 -4.6293E+02
HC            4216    1.008000    0.040000
  1.6320E+01 -2.0099E+01 -9.2917E+00
 -1.5113E+00  2.6436E+00  1.1297E+01
 -8.1488E+02  1.7765E+03  1.0352E+02
HC            4217    1.008000    0.040000
  1.5067E+01 -1.9831E+01 -8.0538E+00
 -8.8725E+00 -1.6553E+00 -3.0564E+00
  1.4162E+03 -5.9366E+02  1.1994E+03
HC            4218    1.008000    0.040000
  1.5033E+01  1.9697E+01 -9.1914E+00
  1.5995E+00  3.7418E-01 -9.1085E+00
 -1.1517E+03  1.7620E+02  9.7787E+02
CT            4219   12.011000    0.145000
 -8.9163E+00 -2.0200E+01  9.9154E+00
  3.0010E+00 -2.4873E+00  1.4645E+00
  1.6773E+03  2.9955E+02  4.8098E+02
OH            4220    0.000000   -0.683000
 -8.4037E+00 -2.0344E+01  8.6097E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4221    1.008000    0.418000
 -8.2800E+00 -1.9463E+01  8.2901E+00
  1.6729E+01  3.5096E+00  1.4565E+01
  1.6140E+03 -7.0125E+02 -4.1678E+00
HC            4222    1.008000    0.040000
 -8.2574E+00 -1.9596E+01  1.0538E+01
 -5.4777E+00  9.3185E+00 -6.8642E-01
 -1.0270E+03  2.3071E+03 -1.0631E+03
HC            4223    1.008000    0.040000
 -9.0245E+00  1.9786E+01  1.0500E+01
 -1.9898E+01 -1.4435E+00 -2.3704E-01
 -1.1345E+03 -1.0432E+03 -2.5846E+03
HC            4224    1.008000    0.040000
 -9.9032E+00 -1.9759E+01  9.7772E+00
  6.8404E+00  2.2116E+00 -1.2634E+01
  5.4329E+02  7.8702E+02  2.0673E+03
CT            4225   12.011000    0.145000
 -1.7735E+01 -1.2533E+01  2.0399E+01
 -3.3444E+00  2.5803E+00 -2.6065E+00
 -3.9828E+03  2.3730E+03 -2.1972E+03
OH            4226    0.000000   -0.683000
 -1.7758E+01 -1.1550E+01 -1.9490E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4227    1.008000    0.418000
 -1.7245E+01 -1.1855E+01 -1.8757E+01
  1.4791E+01  1.6181E+01 -2.9245E+00
  2.0082E+03  1.1857E+03 -1.3135E+03
HC            4228    1.008000    0.040000
 -1.8550E+01 -1.2351E+01  1.9698E+01
 -5.3075E+00 -1.1893E+01 -4.3786E+00
  4.2968E+02  1.3726E+03 -3.4815E+02
HC            4229    1.008000    0.040000
 -1.7960E+01 -1.3554E+01 -2.0195E+01
  2.3543E+01 -1.9973E+00  4.4665E+00
  3.0715E+03  4.0310E+02  1.6413E+03
HC            4230    1.008000    0.040000
 -1.6854E+01 -1.2395E+01  1.9773E+01
 -1.8773E+01  6.8443E+00 -2.4590E+01
  1.8900E+02 -1.6568E+03  1.7312E+03
CT            4231   12.011000    0.145000
 -1.3108E+01  9.2675E+00  9.4351E+00
  1.2542E+00 -1.0674E+00 -1.9026E+00
  1.8363E+03 -1.7226E+03 -3.8004E+03
OH            4232    0.000000   -0.683000
 -1.2433E+01  1.0483E+01  9.2008E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4233    1.008000    0.418000
 -1.1658E+01  1.0477E+01  9.7412E+00
  8.3779E+00 -1.6676E+00 -1.1652E+01
  1.4942E+03 -2.5983E+03 -2.2939E+03
HC            4234    1.008000    0.040000
 -1.3292E+01  9.0165E+00  1.0480E+01
  4.1839E-01 -6.0025E+00 -3.2106E+00
  4.1927E+02  1.7288E+03  1.0671E+02
HC            4235    1.008000    0.040000
 -1.2541E+01  8.4537E+00  8.9824E+00
  1.9701E+01  2.3511E+01 -2.6425E+01
  1.8086E+03  1.9437E+03  1.0520E+03
HC            4236    1.008000    0.040000
 -1.4074E+01  9.1391E+00  8.9466E+00
 -1.5027E+01  1.2469E+00  2.7374E+01
 -6.9143E+01  3.1269E+03  1.1890E+03
CT            4237   12.011000    0.145000
  2.6547E+00 -1.8681E+01 -6.4062E+00
 -1.6140E+00  2.5472E+00  3.1292E+00
  2.3366E+03  2.0266E+03  4.1583E+02
OH            4238    0.000000   -0.683000
  2.1572E+00 -1.7799E+01 -7.3871E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4239    1.008000    0.418000
  2.9382E+00 -1.7553E+01 -7.8589E+00
  7.9494E+00 -2.7859E+00  1.1285E+01
 -2.1055E+03  3.8121E+03 -6.9370E+02
HC            4240    1.008000    0.040000
  2.0941E+00 -1.8747E+01 -5.4737E+00
 -6.6988E+00  5.7890E+00  3.4790E-01
 -1.0045E+03  2.1088E+03 -5.4966E+02
HC            4241    1.008000    0.040000
  3.6197E+00 -1.8210E+01 -6.2208E+00
 -8.7037E+00  1.6113E+01  6.8558E+00
 -3.4869E+02 -7.1520E+01  2.2703E+03
HC            4242    1.008000    0.040000
  2.9200E+00 -1.9712E+01 -6.6420E+00
  1.1199E+01  6.8252E+00 -2.0375E+00
 -1.6325E+03  7.7477E+02 -3.5942E+03
CT            4243   12.011000    0.145000
  1.2455E+01 -1.6653E+01  3.7959E+00
 -7.6159E+00  3.8409E+00  5.3882E-01
 -1.9186E+03  1.8290E+02 -1.0611E+02
OH            4244    0.000000   -0.683000
  1.1888E+01 -1.7859E+01  4.2561E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4245    1.008000    0.418000
  1.2357E+01 -1.8677E+01  4.1781E+00
  7.7756E+00  3.8696E+00  4.8531E+00
  4.7555E+03  3.3411E+03 -5.0012E+03
HC            4246    1.008000    0.040000
  1.2239E+01 -1.6613E+01  2.7282E+00
  9.3493E+00 -1.6962E+01 -4.3598E+00
  1.9103E+03  8.8688E+02  2.5797E+02
HC            4247    1.008000    0.040000
  1.3487E+01 -1.6383E+01  4.0165E+00
 -5.3162E+00 -6.6606E+00  3.1734E+00
  9.0460E+02 -4.0083E+03  2.0376E+01
HC            4248    1.008000    0.040000
  1.1989E+01 -1.5821E+01  4.3249E+00
 -1.3477E+01  2.6822E+00 -2.7114E+00
 -2.6686E+03 -5.8260E+02 -1.2483E+03
CT            4249   12.011000    0.145000
  1.1839E+01  1.9136E+01 -8.4790E+00
  3.2619E+00 -2.8521E-01  4.1294E+00
  4.3539E+03  7.3801E+02  3.1043E+03
OH            4250    0.000000   -0.683000
  1.2511E+01  1.8058E+01 -9.0912E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4251    1.008000    0.418000
  1.2617E+01  1.7420E+01 -8.4022E+00
 -1.8344E+01 -1.6381E+01 -1.1304E+01
 -1.6420E+03 -1.0846E+02 -6.9934E+02
HC            4252    1.008000    0.040000
  1.0858E+01  1.8734E+01 -8.2271E+00
 -4.2647E+00 -5.0643E+00 -2.8329E+01
 -4.3644E+02  3.5619E+03 -1.2998E+03
HC            4253    1.008000    0.040000
  1.1950E+01  2.0071E+01 -9.0286E+00
 -2.7290E+00  7.8632E+00  1.6317E+01
 -4.4984E+03 -3.7829E+02 -9.9658E+02
HC            4254    1.008000    0.040000
  1.2461E+01  1.9331E+01 -7.6056E+00
  1.0583E+00  5.2093E+00  4.5107E+00
 -1.6280E+03  6.5296E+02  1.5318E+03
CT            4255   12.011000    0.145000
 -2.9963E+00  5.0065E+00  1.3020E+01
  4.7122E-01 -6.9587E+00  4.7437E+00
  2.3236E+02  1.8635E+03  1.3422E+03
OH            4256    0.000000   -0.683000
 -1.6075E+00  5.2059E+00  1.3159E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4257    1.008000    0.418000
 -1.3341E+00  6.0906E+00  1.3348E+01
  9.1236E+00  2.5771E+00 -2.2230E+01
 -3.0337E+03  2.1423E+02 -2.7307E+02
HC            4258    1.008000    0.040000
 -3.1887E+00  3.9610E+00  1.2779E+01
 -6.1388E+00 -1.1672E+00 -1.7491E+01
 -8.1056E+02  1.1472E+03 -2.0740E+03
HC            4259    1.008000    0.040000
 -3.2403E+00  5.7097E+00  1.2223E+01
 -1.2806E+01  5.1413E+00  1.8842E+01
 -3.4810E+03 -1.6539E+03  1.5884E+02
HC            4260    1.008000    0.040000
 -3.5031E+00  5.2889E+00  1.3942E+01
  1.9002E+01  6.7717E+00  1.1342E+01
  4.4124E+01  9.2119E+02 -7.1544E+02
CT            4261   12.011000    0.145000
 -1.9497E+01  4.0840E+00 -1.8838E+01
 -6.2331E-01 -2.0497E+00  3.1023E+00
 -1.2224E+02 -1.1024E+03  4.0932E+03
OH            4262    0.000000   -0.683000
  2.0152E+01  4.7137E+00 -1.8678E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4263    1.008000    0.418000
  2.0168E+01  5.4439E+00 -1.8078E+01
 -6.3249E+00 -3.3917E+00  4.4236E+00
  4.3280E+03 -2.0219E+03  2.0588E+03
HC            4264    1.008000    0.040000
 -1.9356E+01  3.4416E+00 -1.9707E+01
  1.7767E+00  4.8763E+00 -1.7162E+00
 -1.4392E+03  3.7601E+03 -2.7621E+03
HC            4265    1.008000    0.040000
 -1.9245E+01  3.2807E+00 -1.8145E+01
 -9.0564E+00 -4.9142E-01  8.1254E+00
 -2.7636E+03  2.0021E+03  3.8183E+03
HC            4266    1.008000    0.040000
 -1.8666E+01  4.7781E+00 -1.8711E+01
 -6.1317E-01 -2.1607E+00  3.6475E+00
 -2.8441E+02  5.1355E+02 -1.2612E+03
CT            4267   12.011000    0.145000
  1.6520E+01  5.3164E+00 -1.6018E+01
 -4.6545E+00 -2.5143E+00  2.0580E-01
 -2.7313E+03 -4.9283E+02  5.1801E+01
OH            4268    0.000000   -0.683000
  1.6371E+01  5.7146E+00 -1.4673E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4269    1.008000    0.418000
  1.7245E+01  5.7707E+00 -1.4321E+01
  7.9784E+00  3.2735E+00 -1.9068E+01
 -5.1333E+02 -2.1396E+03  1.7156E+02
HC            4270    1.008000    0.040000
  1.6533E+01  4.2510E+00 -1.6248E+01
 -9.9962E+00 -1.1458E+00 -6.7783E+00
 -1.6920E+03 -8.9754E+02  4.9490E+03
HC            4271    1.008000    0.040000
  1.7421E+01  5.5572E+00 -1.6582E+01
  1.5086E+00  8.0027E+00  1.3920E+01
  1.1375E+03  4.3436E+03  4.0090E+03
HC            4272    1.008000    0.040000
  1.5668E+01  5.5707E+00 -1.6648E+01
 -2.2560E+01 -2.9091E+01  1.1850E+01
 -3.6926E+02  1.1565E+03  2.5590E+03
CT            4273   12.011000    0.145000
  7.0258E+00 -2.3404E+00 -5.2495E+00
  1.6845E+00 -7.4732E+00 -2.0592E+00
  6.2222E+02 -1.8634E+03 -1.7469E+03
OH            4274    0.000000   -0.683000
  8.3312E+00 -1.9406E+00 -5.6017E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4275    1.008000    0.418000
  8.7279E+00 -1.8431E+00 -4.7496E+00
 -1.8003E+01 -1.7267E+01  1.1235E+01
  1.9600E+02 -4.7580E+02 -9.5310E+02
HC            4276    1.008000    0.040000
  7.0675E+00 -3.0667E+00 -4.4378E+00
  1.0471E+00 -7.8860E+00 -2.3950E+00
 -3.4213E+02 -3.5691E+02 -3.0525E+02
HC            4277    1.008000    0.040000
  6.5153E+00 -2.7713E+00 -6.1108E+00
  1.7904E+00  4.0266E+00 -8.0712E+00
  1.4749E+03 -1.1227E+03 -2.5441E+02
HC            4278    1.008000    0.040000
  6.3135E+00 -1.5491E+00 -5.0158E+00
  4.7974E+00  1.9612E+00 -2.2335E+01
  2.0850E+03  1.0287E+03  2.9043E+01
CT            4279   12.011000    0.145000
 -7.9067E+00  1.2911E+01 -1.7981E+01
 -4.4728E-01  4.6077E-01  1.3606E+00
 -1.9896E+03  2.8551E+02  1.3290E+03
OH            4280    0.000000   -0.683000
 -7.7792E+00  1.1593E+01 -1.7495E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4281    1.008000    0.418000
 -7.2992E+00  1.1712E+01 -1.6689E+01
 -1.7535E+01  2.3875E+01  8.1029E+00
 -1.3420E+03  1.4168E+03 -3.2749E+02
HC            4282    1.008000    0.040000
 -7.0111E+00  1.3522E+01 -1.7870E+01
 -1.5596E+01  2.6060E+01 -8.5959E+00
 -1.1455E+03 -1.7998E+02  4.1475E+02
HC            4283    1.008000    0.040000
 -8.7217E+00  1.3394E+01 -1.7442E+01
  5.2364E+00  3.1930E+01 -1.5825E+01
  1.8076E+03  1.6211E+03 -3.1341E+02
HC            4284    1.008000    0.040000
 -8.2004E+00  1.2952E+01 -1.9030E+01
 -1.5349E+00 -8.6259E+00  1.2314E+00
  5.2185E+01 -1.1348E+03  4.8941E+01
CT            4285   12.011000    0.145000
 -3.5618E+00  3.1122E+00 -5.1253E+00
  3.0783E-01  2.0792E-02 -2.2603E-02
 -1.3629E+02  1.5097E+03 -3.8571E+03
OH            4286    0.000000   -0.683000
 -3.5114E+00  1.8010E+00 -5.6412E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4287    1.008000    0.418000
 -4.4394E+00  1.6230E+00 -5.6346E+00
 -6.7059E+00  2.9745E+01  3.1022E-01
  1.9825E+03 -2.7818E+03  5.9770E+00
HC            4288    1.008000    0.040000
 -2.6826E+00  3.7244E+00 -5.3261E+00
  1.4367E+00  3.9095E+00  1.5493E+01
  1.2968E+03 -1.2476E+03  1.9628E+03
HC            4289    1.008000    0.040000
 -3.8724E+00  3.1581E+00 -4.0815E+00
 -1.8440E+01  2.4236E+01 -5.7356E+00
  2.7197E+03 -2.0912E+03 -7.6696E+02
HC            4290    1.008000    0.040000
 -4.3603E+00  3.5930E+00 -5.6904E+00
 -1.2467E+01 -1.3843E+01  5.5491E+00
 -7.4247E+02  5.3401E+01  1.2126E+03
CT            4291   12.011000    0.145000
  9.0990E+00  2.6182E+00 -1.3348E+01
  3.0565E+00  3.6043E+00 -9.2100E+00
 -1.3013E+03 -1.4806E+03  1.6483E+03
OH            4292    0.000000   -0.683000
  8.0002E+00  1.9742E+00 -1.3953E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4293    1.008000    0.418000
  8.0579E+00  2.2061E+00 -1.4867E+01
 -8.4380E+00 -2.8378E+00 -1.3406E+00
 -8.4466E+02  2.5545E+03  7.0540E+02
HC            4294    1.008000    0.040000
  9.9871E+00  2.4967E+00 -1.3968E+01
  1.2157E+01  7.8506E+00  2.6026E+00
  2.5270E+02  2.0775E+03  5.2170E+02
HC            4295    1.008000    0.040000
  9.3178E+00  2.1289E+00 -1.2399E+01
  6.9273E+00  5.3501E+00 -9.1831E+00
 -1.9357E+01  1.4971E+02  2.4301E+02
HC            4296    1.008000    0.040000
  8.8135E+00  3.6504E+00 -1.3145E+01
  8.9619E-01  5.6340E+00 -2.1763E+01
  1.8356E+03  6.0494E+02 -1.4006E+03
CT            4297   12.011000    0.145000
 -6.8683E+00  7.4135E+00  1.0455E+01
 -1.0645E+00 -5.1290E-01  2.4520E+00
  1.5434E+03  6.5627E+02 -4.3586E+03
OH            4298    0.000000   -0.683000
 -6.2974E+00  6.1245E+00  1.0430E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4299    1.008000    0.418000
 -6.9939E+00  5.4860E+00  1.0447E+01
 -2.2359E+00  1.6233E+00 -1.5773E+01
 -1.6988E+03  2.0513E+03 -1.5307E+03
HC            4300    1.008000    0.040000
 -7.5277E+00  7.6372E+00  9.6165E+00
 -5.5395E+00  2.2003E+01  1.1256E+01
 -1.5330E+03 -2.6129E+03  1.1718E+03
HC            4301    1.008000    0.040000
 -6.1544E+00  8.2012E+00  1.0214E+01
  2.1418E+01 -2.2444E+01 -7.1055E+00
  2.4674E+03 -2.3341E+03  2.0400E+03
HC            4302    1.008000    0.040000
 -7.3500E+00  7.6555E+00  1.1403E+01
  1.7052E+01 -1.7849E+01  1.6978E+01
 -6.7064E+02 -1.4760E+03 -1.2887E+03
CT            4303   12.011000    0.145000
  1.7247E+01  1.7485E+01 -1.2315E+01
 -2.0499E+00 -5.5794E-01 -1.0981E+00
  5.8635E+03 -9.7214E+02  7.1189E+02
OH            4304    0.000000   -0.683000
  1.6987E+01  1.6511E+01 -1.1329E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4305    1.008000    0.418000
  1.7659E+01  1.5846E+01 -1.1348E+01
  3.4014E+00  3.5337E+00 -8.4045E+00
 -1.0215E+03 -8.2722E+02  7.4898E+02
HC            4306    1.008000    0.040000
  1.8253E+01  1.7787E+01 -1.2024E+01
 -3.1635E+00  9.0590E+00 -6.8133E+00
  3.4324E+01  2.5409E+03 -1.1326E+03
HC            4307    1.008000    0.040000
  1.6610E+01  1.8368E+01 -1.2274E+01
  1.7001E-01  6.1425E-01  1.3766E+01
 -4.0172E+02 -1.0119E+03 -2.8944E+02
HC            4308    1.008000    0.040000
  1.7354E+01  1.7045E+01 -1.3307E+01
 -2.2345E+01  3.4294E+00 -5.4972E+00
 -2.1426E+03  6.7277E+02 -3.2256E+02
CT            4309   12.011000    0.145000
  3.9804E+00  5.0913E+00  1.1495E+01
  9.0505E-01  2.7292E+00  1.9947E+00
 -1.3531E+03  2.6660E+03 -1.5033E+03
OH            4310    0.000000   -0.683000
  5.1327E+00  5.2820E+00  1.0705E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4311    1.008000    0.418000
  5.7078E+00  4.5733E+00  1.0951E+01
  4.4915E+00  7.1353E+00  1.0870E+01
 -1.1229E+03 -5.4372E+02  1.5253E+02
HC            4312    1.008000    0.040000
  4.1200E+00  4.6902E+00  1.2499E+01
  6.8342E+00 -3.1149E+00 -1.0863E+00
  3.0115E+03  1.0756E+02 -6.2347E+02
HC            4313    1.008000    0.040000
  3.1837E+00  4.4963E+00  1.1049E+01
  9.5923E+00  1.9933E+00 -1.3218E+01
  3.1490E+03 -2.3264E+03 -2.3288E+03
HC            4314    1.008000    0.040000
  3.3982E+00  5.9988E+00  1.1656E+01
  1.0993E+01  8.3781E+00  7.6934E+00
  2.6843E+03  2.0493E+03 -5.9019E+02
CT            4315   12.011000    0.145000
  1.4210E+01  3.0271E+00  5.2599E+00
  9.1310E-01  2.0128E-01  3.0415E-01
 -2.1867E+03 -3.4874E+03  1.6661E+03
OH            4316    0.000000   -0.683000
  1.4730E+01  2.2062E+00  4.2383E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4317    1.008000    0.418000
  1.5663E+01  2.3451E+00  4.2977E+00
 -2.4380E+00  2.0229E+01 -1.9729E+00
 -3.1431E+02 -3.1380E+02 -1.6959E+03
HC            4318    1.008000    0.040000
  1.3183E+01  2.8375E+00  5.5716E+00
 -4.6755E-01  1.0089E+01  2.1012E+00
 -1.0646E+03 -1.4457E+03 -4.1587E+03
HC            4319    1.008000    0.040000
  1.4194E+01  4.1046E+00  5.0955E+00
  1.3813E+01 -4.8677E-01 -6.7634E+00
  2.8026E+03 -5.9381E+02 -1.9288E+03
HC            4320    1.008000    0.040000
  1.4608E+01  2.7947E+00  6.2475E+00
  1.7358E+00 -9.8065E-01 -3.0342E-01
  3.4849E+03  6.2123E+02 -1.1480E+03
CT            4321   12.011000    0.145000
 -5.8672E+00 -1.7562E+00 -1.8642E+01
 -6.6299E-01 -6.1810E+00 -1.7159E-01
  1.1932E+01  4.1073E+03 -1.8978E+03
OH            4322    0.000000   -0.683000
 -7.2683E+00 -1.6005E+00 -1.8613E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4323    1.008000    0.418000
 -7.5545E+00 -1.5667E+00 -1.7713E+01
 -3.2756E+01  5.8912E+00 -9.3107E+00
 -8.4533E+02  9.2231E+02 -1.4423E+03
HC            4324    1.008000    0.040000
 -5.6163E+00 -1.4096E+00 -1.9645E+01
 -8.3276E+00 -1.0372E+00 -3.9647E-01
  2.6261E+03 -2.5642E+03 -2.5199E+02
HC            4325    1.008000    0.040000
 -5.4620E+00 -2.7451E+00 -1.8428E+01
  8.0434E-01 -4.5018E+00  4.9441E+00
 -7.1899E+02  1.2512E+02  2.7987E+01
HC            4326    1.008000    0.040000
 -5.3620E+00 -1.0043E+00 -1.8036E+01
 -9.8195E+00 -8.9710E-01  1.0934E+00
 -1.0496E+03 -5.7519E+02  1.6979E+03
CT            4327   12.011000    0.145000
  1.4353E+01  6.7852E+00  1.8320E+01
 -1.6276E+00  1.5687E-01  4.3210E+00
  2.1266E+03  4.4650E+02 -6.4727E+03
OH            4328    0.000000   -0.683000
  1.3036E+01  6.7085E+00  1.7822E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4329    1.008000    0.418000
  1.2975E+01  6.7827E+00  1.6881E+01
  5.7820E+00  3.4703E+01  1.0464E+00
  3.3166E+03  2.2571E+03  9.0798E+02
HC            4330    1.008000    0.040000
  1.4866E+01  7.3849E+00  1.7568E+01
 -1.1769E+01  1.5615E+01  9.2460E+00
  7.1842E+02  2.7101E+03  2.2234E+03
HC            4331    1.008000    0.040000
  1.4832E+01  5.8113E+00  1.8218E+01
 -9.5931E+00 -2.7848E+00 -7.0611E+00
 -4.3853E+02 -2.5448E+02  2.9451E+03
HC            4332    1.008000    0.040000
  1.4332E+01  7.2222E+00  1.9318E+01
  1.5190E+01 -1.5710E+01  1.2216E+01
  2.8814E+03 -9.9094E+02 -4.0390E+02
CT            4333   12.011000    0.145000
 -9.3584E+00 -7.9596E+00  3.6933E+00
  2.3476E+00  3.2236E-01 -6.0558E+00
  1.3708E+03  3.4582E+03  7.8604E+03
OH            4334    0.000000   -0.683000
 -8.3765E+00 -8.9139E+00  4.0301E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4335    1.008000    0.418000
 -7.4854E+00 -8.6231E+00  3.9096E+00
  4.9039E+00 -1.8831E+01 -1.3927E+01
 -1.5671E+03  2.1969E+03  4.7401E+02
HC            4336    1.008000    0.040000
 -1.0316E+01 -8.2708E+00  3.2760E+00
 -1.0105E+01  2.7402E+01  1.1004E-01
  1.4047E+03  9.2142E+02 -4.6090E+02
HC            4337    1.008000    0.040000
 -8.9635E+00 -7.0079E+00  3.3378E+00
 -1.8570E+01  1.4756E+01  7.0526E+00
 -5.7279E+03  3.3960E+02 -3.8020E+03
HC            4338    1.008000    0.040000
 -9.5538E+00 -7.5492E+00  4.6840E+00
  6.8563E+00 -2.5076E+01  6.1804E+00
 -2.6838E+03 -1.7321E+03  2.2695E+02
CT            4339   12.011000    0.145000
 -4.5939E+00 -1.1934E+01  2.0432E+01
  1.3828E+00  4.6597E+00  3.2832E-01
 -2.5198E+02  1.3284E+02 -5.8715E+03
OH            4340    0.000000   -0.683000
 -3.2460E+00 -1.2330E+01  2.0315E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4341    1.008000    0.418000
 -3.0787E+00 -1.3110E+01  1.9807E+01
  7.9217E+00  3.3053E+00 -2.6274E+00
 -1.3904E+03  4.4466E+02 -9.1431E+02
HC            4342    1.008000    0.040000
 -4.6942E+00 -1.1205E+01 -1.9664E+01
 -1.7557E+01 -7.4831E+00  9.7122E+00
 -2.5113E+03 -3.1587E+03  1.8055E+03
HC            4343    1.008000    0.040000
 -5.0596E+00 -1.2919E+01  2.0437E+01
 -7.9995E+00  8.6584E+00 -1.5233E+01
 -3.6839E+03  2.3656E+03  4.6882E+03
HC            4344    1.008000    0.040000
 -4.9886E+00 -1.1495E+01  1.9516E+01
 -1.8587E+01 -2.2158E+01 -5.1647E+00
  1.1970E+03 -1.1520E+03 -3.3149E+02
CT            4345   12.011000    0.145000
 -1.3136E+01  1.8626E+01 -1.4315E+01
  4.4130E+00 -2.3618E+00 -8.7848E+00
  1.5973E+03  2.4402E+03 -2.0945E+03
OH            4346    0.000000   -0.683000
 -1.1872E+01  1.8788E+01 -1.3712E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4347    1.008000    0.418000
 -1.1631E+01  1.9694E+01 -1.3835E+01
 -1.9949E+01  7.0373E+00  8.5943E+00
 -3.2042E+02 -7.5999E+02 -1.5103E+03
HC            4348    1.008000    0.040000
 -1.3911E+01  1.8022E+01 -1.3844E+01
 -4.0285E+00  2.2992E+01  1.2256E+01
  4.3654E+03 -6.7795E+02  3.1553E+03
HC            4349    1.008000    0.040000
 -1.3072E+01  1.8237E+01 -1.5332E+01
  3.1394E+01 -2.2770E+01 -4.7138E-01
  2.4311E+03  9.7643E+02  6.7947E+02
HC            4350    1.008000    0.040000
 -1.3686E+01  1.9566E+01 -1.4362E+01
 -9.5866E+00 -9.9534E+00 -2.9721E+00
  9.8829E+02  3.9207E+02  5.7449E+02
CT            4351   12.011000    0.145000
  1.1271E+01 -1.7414E+01 -6.9668E+00
  5.0893E+00 -3.7341E+00  8.0590E+00
 -2.7926E+03 -7.1616E+02  9.9047E+02
OH            4352    0.000000   -0.683000
  1.0813E+01 -1.6331E+01 -6.1887E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4353    1.008000    0.418000
  1.0563E+01 -1.5627E+01 -6.7677E+00
  1.7601E+01  5.4146E-01 -7.5712E+00
  1.5976E+03 -1.4632E+03 -2.0955E+03
HC            4354    1.008000    0.040000
  1.1286E+01 -1.8344E+01 -6.3992E+00
 -9.4963E+00  6.4670E+00  2.6324E+01
 -1.9642E+03  1.3205E+03  1.6969E+03
HC            4355    1.008000    0.040000
  1.2275E+01 -1.7450E+01 -7.3888E+00
  1.1021E+01  1.5135E+01  1.9321E+01
  1.4305E+02  5.5364E+03  7.8873E+02
HC            4356    1.008000    0.040000
  1.0564E+01 -1.7578E+01 -7.7806E+00
  7.0875E-01 -1.8440E+01  1.4497E+01
 -1.2282E+02 -9.0401E+01  3.2805E+02
CT            4357   12.011000    0.145000
 -1.6031E+01  1.6580E+01 -5.6575E-01
  2.0006E+00  4.8144E-02 -1.4343E+00
 -3.5290E+02 -6.3113E+03  8.5362E+02
OH            4358    0.000000   -0.683000
 -1.6849E+01  1.6458E+01 -1.7073E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4359    1.008000    0.418000
 -1.7652E+01  1.6070E+01 -1.3948E+00
  1.6343E+00  2.2081E+00  7.1279E+00
 -3.9862E+02  1.4469E+03  6.5859E+02
HC            4360    1.008000    0.040000
 -1.5590E+01  1.5634E+01 -2.5034E-01
  9.6261E+00 -5.7730E-01 -1.3323E+01
  1.9134E+03 -6.9570E+02 -3.1878E+03
HC            4361    1.008000    0.040000
 -1.6670E+01  1.6716E+01  3.0633E-01
  1.1763E+01  2.6053E+01  2.5790E+00
  1.7477E+03  6.8045E+03  1.4866E+02
HC            4362    1.008000    0.040000
 -1.5265E+01  1.7281E+01 -8.9961E-01
 -1.2670E+01  1.0599E+01 -1.4444E+01
 -4.6550E+02  1.3727E+03  5.2251E+03
CT            4363   12.011000    0.145000
 -7.7909E+00 -3.8050E+00 -5.7019E+00
 -2.2288E+00 -9.9103E-01 -6.0023E+00
 -8.0022E+03  1.0210E+03 -1.2293E+04
OH            4364    0.000000   -0.683000
 -6.9533E+00 -2.7747E+00 -6.1761E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4365    1.008000    0.418000
 -7.1269E+00 -2.6044E+00 -7.0893E+00
 -2.7223E+01 -2.9487E+01 -2.0908E+00
 -3.7753E+03 -2.9718E+03  1.1762E+03
HC            4366    1.008000    0.040000
 -8.0699E+00 -4.4211E+00 -6.5567E+00
  1.4812E+01 -1.4503E+01 -2.3938E+00
  2.5705E+03 -2.4406E+03 -8.8855E+01
HC            4367    1.008000    0.040000
 -8.7579E+00 -3.3047E+00 -5.6499E+00
 -2.5391E+00 -2.5817E+00  6.6300E+00
 -8.0095E+02 -6.7275E+02  5.4943E+03
HC            4368    1.008000    0.040000
 -7.5317E+00 -4.5139E+00 -4.9156E+00
  2.8136E+00  1.1288E+01  3.7495E+00
  1.2711E+03  2.8795E+03  7.7526E+02
CT            4369   12.011000    0.145000
 -1.6194E+01  6.1767E+00 -7.0208E-01
 -8.2862E+00 -7.6023E-01 -1.7228E+00
 -4.1658E+03 -2.9547E+03  1.6561E+03
OH            4370    0.000000   -0.683000
 -1.5912E+01  5.0681E+00 -1.5264E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4371    1.008000    0.418000
 -1.5314E+01  4.5337E+00 -1.0265E+00
 -5.0703E+00  6.6866E+00  1.3730E+01
 -1.7342E+03 -1.3163E+02  1.6311E+03
HC            4372    1.008000    0.040000
 -1.5510E+01  7.0036E+00 -5.0894E-01
 -4.2203E+00 -3.6180E-01 -1.6586E+01
  4.4129E+03 -4.1043E+03 -1.0949E+03
HC            4373    1.008000    0.040000
 -1.6246E+01  5.4954E+00  1.4718E-01
  1.7210E+01 -1.0816E+01 -7.3067E+00
 -2.3300E+03  5.1209E+03  2.7431E+03
HC            4374    1.008000    0.040000
 -1.7073E+01  6.7589E+00 -9.7900E-01
  4.4367E+00  2.0619E+01  5.9426E-01
 -1.0025E+03 -2.5649E+03  4.7881E+02
CT            4375   12.011000    0.145000
 -1.0712E+01 -1.6627E+00 -1.6952E+01
  1.6924E+00 -5.2607E-01 -7.6033E+00
  2.6163E+03  1.3990E+03  8.2107E+03
OH            4376    0.000000   -0.683000
 -1.0260E+01 -2.9830E+00 -1.6752E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4377    1.008000    0.418000
 -1.1030E+01 -3.5129E+00 -1.6890E+01
  5.3989E+00 -1.4940E+01  2.1869E+01
  4.8075E+02  2.2829E+02  1.1136E+03
HC            4378    1.008000    0.040000
 -1.0848E+01 -1.2761E+00 -1.5942E+01
  1.7374E+01  9.4032E+00 -8.9545E+00
 -4.6747E+03 -6.9514E+02 -3.8377E+02
HC            4379    1.008000    0.040000
 -1.1647E+01 -1.6341E+00 -1.7511E+01
 -1.1527E+01  3.8185E+01  1.2730E+01
  2.9673E+03  4.7235E+03 -6.2413E+02
HC            4380    1.008000    0.040000
 -9.8324E+00 -1.0326E+00 -1.7082E+01
  6.8504E+00 -7.3246E+00 -6.2293E+00
 -2.0360E+03  1.2118E+03 -6.8071E+03
CT            4381   12.011000    0.145000
 -2.8694E+00 -1.5307E+01  9.4941E-01
 -8.1653E+00 -2.8082E+00  9.7401E+00
  1.0010E+03 -3.8515E+03  5.6629E+03
OH            4382    0.000000   -0.683000
 -2.1831E+00 -1.4390E+01  1.7717E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4383    1.008000    0.418000
 -2.3569E+00 -1.3526E+01  1.4306E+00
 -2.5232E+01 -8.7341E+00 -1.1767E+01
 -2.6970E+03 -4.3123E+02  2.3566E+03
HC            4384    1.008000    0.040000
 -3.1843E+00 -1.5098E+01 -7.3069E-02
 -8.5395E+00  4.3723E+00  1.1266E+01
  2.0062E+03  2.5196E+03  4.6184E+02
HC            4385    1.008000    0.040000
 -3.7475E+00 -1.5627E+01  1.5101E+00
 -1.8966E+01 -1.2350E+01 -1.1455E+01
 -6.8553E+02 -1.0361E+03 -1.8780E+03
HC            4386    1.008000    0.040000
 -2.0700E+00 -1.6047E+01  9.2561E-01
  8.3934E+00  1.3531E+01 -2.9301E+01
 -3.2638E+03 -1.2755E+03 -2.8541E+03
CT            4387   12.011000    0.145000
 -1.1803E+01 -3.2624E+00 -1.3029E+01
  7.2567E+00  7.2941E+00  3.7411E+00
  1.6097E+03  1.2794E+03 -2.4484E+03
OH            4388    0.000000   -0.683000
 -1.0757E+01 -4.1439E+00 -1.3371E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4389    1.008000    0.418000
 -9.9158E+00 -3.7350E+00 -1.3503E+01
  3.3428E-01 -1.3786E+00 -2.1883E+00
 -1.6128E+03  3.5619E+03  1.3072E+03
HC            4390    1.008000    0.040000
 -1.1840E+01 -2.8256E+00 -1.2031E+01
  1.3787E+01  2.1010E+01 -1.7609E+00
  2.7431E+03 -2.0746E+03  4.9065E+02
HC            4391    1.008000    0.040000
 -1.2814E+01 -3.6306E+00 -1.3206E+01
  3.8726E+00  1.0345E+01  1.5733E+01
  1.5346E+03 -3.9411E+03  1.3548E+03
HC            4392    1.008000    0.040000
 -1.1922E+01 -2.3565E+00 -1.3623E+01
  2.3799E+01  1.0324E+01  4.5694E+00
  4.6370E+03 -3.9881E+02 -1.8031E+03
CT            4393   12.011000    0.145000
  9.5471E+00 -1.3490E+01 -1.7517E+01
 -5.4467E-01 -3.0899E+00  4.9302E+00
  3.6434E+03  2.5812E+02  1.0313E+03
OH            4394    0.000000   -0.683000
  9.3682E+00 -1.2293E+01 -1.6793E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4395    1.008000    0.418000
  8.4662E+00 -1.2408E+01 -1.6536E+01
 -1.9028E+00  2.7784E+01  9.0382E+00
  4.2114E+02  3.3965E+03  1.1460E+03
HC            4396    1.008000    0.040000
  9.0914E+00 -1.3373E+01 -1.8500E+01
 -9.9569E+00  1.0192E+01  1.0568E+01
 -1.5008E+03 -1.2397E+03  1.0664E+03
HC            4397    1.008000    0.040000
  9.1665E+00 -1.4330E+01 -1.6935E+01
  2.5610E+00 -8.6500E+00 -9.3764E-01
 -2.3243E+03  1.8810E+02 -1.5538E+03
HC            4398    1.008000    0.040000
  1.0556E+01 -1.3843E+01 -1.7732E+01
  5.6425E+00  2.0560E+01 -8.4001E+00
  1.4653E+03  4.1188E+03  8.8228E+02
CT            4399   12.011000    0.145000
  4.2666E+00 -9.9345E+00 -1.0924E+01
  9.4664E-01  3.1972E+00 -1.7572E-02
 -3.6178E+02 -3.6095E+02 -2.0173E+03
OH            4400    0.000000   -0.683000
  5.5981E+00 -1.0334E+01 -1.1160E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4401    1.008000    0.418000
  6.0621E+00 -9.5846E+00 -1.0819E+01
 -1.3425E+00 -1.0194E+01  2.6526E+01
  1.0974E+03 -1.1788E+03 -1.7450E+03
HC            4402    1.008000    0.040000
  4.1240E+00 -9.0580E+00 -1.1556E+01
  8.3796E+00 -4.8848E+00 -1.3376E+01
 -6.9998E+02  6.2019E+02  1.5864E+03
HC            4403    1.008000    0.040000
  4.1944E+00 -9.7085E+00 -9.8597E+00
 -7.8924E+00  1.4546E+01 -2.8264E+00
 -2.2044E+03  4.1551E+02 -5.2941E+02
HC            4404    1.008000    0.040000
  3.4942E+00 -1.0646E+01 -1.1216E+01
  7.4329E-01 -4.3682E+00  1.7633E+01
  1.0469E+03 -1.3169E+03  9.9978E+02
CT            4405   12.011000    0.145000
  1.2764E+01 -4.8828E+00  3.6239E+00
 -6.1559E+00 -3.3771E-01 -4.3878E-01
  1.9177E+03 -2.4723E+02  1.0751E+02
OH            4406    0.000000   -0.683000
  1.2845E+01 -6.2900E+00  3.6636E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4407    1.008000    0.418000
  1.2164E+01 -6.4880E+00  4.2880E+00
  4.9070E+00 -3.7269E+00  4.2609E+00
  1.7178E+03 -3.1592E+03  8.9115E+02
HC            4408    1.008000    0.040000
  1.2828E+01 -4.5300E+00  4.6533E+00
  8.2730E+00 -1.3864E+01  3.7076E+00
 -9.0159E+02  4.1985E+02 -5.7188E+02
HC            4409    1.008000    0.040000
  1.1809E+01 -4.6259E+00  3.1672E+00
 -8.6398E+00  1.0489E+01  1.0326E+01
  8.8884E+02  2.0808E+03  3.1894E+01
HC            4410    1.008000    0.040000
  1.3643E+01 -4.5233E+00  3.0878E+00
 -1.3511E+00 -2.5326E+01 -1.0728E+01
 -1.3819E+03  5.6781E+01 -1.0484E+03
CT            4411   12.011000    0.145000
 -5.7323E+00  6.6232E+00 -1.4923E+01
 -2.3491E+00  7.1923E-01 -6.2179E+00
 -3.3228E+03 -3.2886E+03 -4.8989E+03
OH            4412    0.000000   -0.683000
 -6.9888E+00  6.9899E+00 -1.4399E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4413    1.008000    0.418000
 -6.8170E+00  7.5480E+00 -1.3656E+01
 -4.1124E+01 -3.6125E+00  1.4809E+01
 -3.1459E+03 -7.2407E+02 -7.1397E+02
HC            4414    1.008000    0.040000
 -5.0408E+00  6.2118E+00 -1.4188E+01
  8.5829E-01  5.7256E+00 -6.3850E+00
  1.0640E+03  2.3170E+03 -2.0092E+02
HC            4415    1.008000    0.040000
 -5.3447E+00  7.4244E+00 -1.5552E+01
  6.2081E+00  7.9697E+00  7.7724E+00
  2.2510E+03  3.4400E+02  2.1029E+03
HC            4416    1.008000    0.040000
 -5.9087E+00  5.7851E+00 -1.5597E+01
 -8.3820E-01 -2.2398E+00 -2.9668E+00
 -1.1488E+02 -8.4155E+02  2.5931E+02
CT            4417   12.011000    0.145000
  1.1313E+01 -1.0674E+01 -2.4753E+00
 -2.4049E+00  3.7484E+00 -3.4594E+00
 -2.0374E+03 -8.9423E+02  2.6532E+03
OH            4418    0.000000   -0.683000
  1.0675E+01 -1.1727E+01 -3.1634E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4419    1.008000    0.418000
  1.0049E+01 -1.2150E+01 -2.5962E+00
 -4.9757E+00  2.7158E+00 -3.3875E+00
  2.2544E+02 -3.9886E+02 -1.3956E+02
HC            4420    1.008000    0.040000
  1.1817E+01 -9.8600E+00 -2.9958E+00
 -1.3040E+01  5.4118E+00 -1.1501E+01
 -2.5378E+03 -1.1323E+03 -3.7116E+03
HC            4421    1.008000    0.040000
  1.2143E+01 -1.0979E+01 -1.8386E+00
  6.1158E+00  1.4038E+00 -1.5352E+01
 -2.3026E+03 -2.6412E+03  1.2371E+03
HC            4422    1.008000    0.040000
  1.0491E+01 -1.0234E+01 -1.9106E+00
 -2.3023E+00  6.2353E+00 -5.2315E+00
  9.8800E+02  7.1871E+02  1.2657E+03
CT            4423   12.011000    0.145000
  9.0397E+00  6.8654E+00  1.1806E+01
 -4.2229E+00  4.2570E+00  6.1637E+00
 -4.2665E+02 -5.9964E+03 -3.4290E+03
OH            4424    0.000000   -0.683000
  9.6908E+00  6.0821E+00  1.2781E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4425    1.008000    0.418000
  9.1969E+00  6.2365E+00  1.3572E+01
  5.6541E-02  2.1084E-01 -5.1962E-03
  8.3033E+02 -2.5522E+03  9.9378E+02
HC            4426    1.008000    0.040000
  9.4756E+00  6.5847E+00  1.0847E+01
 -1.3588E+01 -1.9126E+01  8.0864E+00
  1.3031E+03  1.9587E+03  5.7435E+02
HC            4427    1.008000    0.040000
  8.9621E+00  7.9438E+00  1.1944E+01
  1.8116E+00  4.3262E+00  9.3429E+00
  1.0093E+03 -6.4429E+02  1.3350E+03
HC            4428    1.008000    0.040000
  8.0594E+00  6.4303E+00  1.1612E+01
 -2.4347E+00  5.4218E+00 -6.2906E+00
 -9.7001E+02  1.4064E+03  1.5056E+03
CT            4429   12.011000    0.145000
  3.6461E+00 -2.7671E+00 -7.6652E+00
  1.6718E+00  2.0825E+00  1.6022E+00
 -1.4739E+03 -2.0061E+03 -1.4214E+03
OH            4430    0.000000   -0.683000
  4.7698E+00 -3.6155E+00 -7.7411E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4431    1.008000    0.418000
  5.2833E+00 -3.4576E+00 -8.5186E+00
  1.5757E+01  2.5994E-01  1.0012E+01
 -1.6116E+03  1.6641E+02 -4.1946E+02
HC            4432    1.008000    0.040000
  3.6867E+00 -2.1308E+00 -6.7811E+00
  1.9124E+01  1.9515E+01 -1.0881E+01
 -5.3273E+02  5.3005E+02 -1.3853E+03
HC            4433    1.008000    0.040000
  2.8713E+00 -3.5314E+00 -7.6060E+00
  3.1426E+00  7.9122E-01  4.3768E+00
 -2.5501E+03  2.4562E+03  1.0893E+03
HC            4434    1.008000    0.040000
  3.4803E+00 -2.1710E+00 -8.5626E+00
  1.3839E-02  2.7344E+01  1.7686E+01
  5.4752E+02  1.0643E+03  1.3555E+03
CT            4435   12.011000    0.145000
 -1.8097E+01  1.1774E+01 -1.2695E+01
  1.0643E+00 -3.0276E+00  1.6383E+00
  7.7770E+01 -6.8263E+02  2.2395E+03
OH            4436    0.000000   -0.683000
 -1.6814E+01  1.2329E+01 -1.2511E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4437    1.008000    0.418000
 -1.6422E+01  1.2264E+01 -1.3368E+01
  1.4729E+01 -1.7484E+00  6.5610E+00
  2.2344E+03 -8.3080E+02  1.2129E+03
HC            4438    1.008000    0.040000
 -1.8801E+01  1.2391E+01 -1.3254E+01
  1.1117E+01  1.4089E+01  7.1196E+00
  1.5055E+03  1.1515E+03  1.5810E+02
HC            4439    1.008000    0.040000
 -1.8482E+01  1.1693E+01 -1.1678E+01
 -1.2525E+00  1.8334E+01  2.9192E+00
 -8.5366E+02  3.7275E+02 -5.2465E+02
HC            4440    1.008000    0.040000
 -1.8051E+01  1.0799E+01 -1.3182E+01
  1.5297E+00  1.9846E+00 -8.6230E+00
  1.0916E+03  2.8839E+02 -1.7331E+02
CT            4441   12.011000    0.145000
 -3.8913E+00  1.6847E+01  4.8870E+00
  7.0762E+00 -4.9037E+00  4.4155E+00
  4.1679E+02  2.6221E+03  1.6554E+03
OH            4442    0.000000   -0.683000
 -2.9373E+00  1.7587E+01  4.1597E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4443    1.008000    0.418000
 -3.2937E+00  1.8371E+01  3.7692E+00
 -1.6474E+01  1.0602E+01  3.2594E+01
 -2.9358E+03 -1.9957E+03  1.6558E+03
HC            4444    1.008000    0.040000
 -3.7725E+00  1.7046E+01  5.9519E+00
 -6.6175E+00  2.7195E+01  1.0803E+00
 -9.8724E+02  1.4886E+03 -9.3614E+02
HC            4445    1.008000    0.040000
 -3.7806E+00  1.5774E+01  4.7294E+00
  8.0300E+00 -1.7422E+00 -2.0418E+01
  8.6353E+01  7.9968E+02  3.0378E+02
HC            4446    1.008000    0.040000
 -4.8927E+00  1.7155E+01  4.5868E+00
  7.9268E+00 -3.3674E+00  3.1409E+00
 -3.1485E+02 -6.9985E+02  4.1083E+02
CT            4447   12.011000    0.145000
 -2.0333E+00 -1.5564E+01 -3.8171E+00
 -3.7693E+00 -8.8243E-01  2.0516E-01
  2.5313E+03  4.4103E+03 -2.6456E+03
OH            4448    0.000000   -0.683000
 -1.9241E+00 -1.6293E+01 -5.0191E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4449    1.008000    0.418000
 -1.1802E+00 -1.6030E+01 -5.5394E+00
  2.4883E+01 -2.5609E+01  1.9477E+01
  5.3882E+02 -5.5140E+02  3.0646E+03
HC            4450    1.008000    0.040000
 -1.9267E+00 -1.4484E+01 -3.9220E+00
  2.8490E+01 -5.0676E+00 -2.7443E+01
 -3.3489E+02 -1.3370E+03 -4.8218E+03
HC            4451    1.008000    0.040000
 -1.1713E+00 -1.5691E+01 -3.1621E+00
  5.9934E+00 -1.7692E+01 -1.4971E+01
 -5.1437E+02 -3.9709E+03 -6.5930E+02
HC            4452    1.008000    0.040000
 -2.9527E+00 -1.5709E+01 -3.2500E+00
  1.2391E+01 -2.7698E+01  2.2113E+01
  1.4667E+03 -1.6062E+03 -8.9849E+02
CT            4453   12.011000    0.145000
  1.6864E+01  3.6447E+00  1.8987E+01
  2.4681E+00  1.7166E+00 -1.9914E-01
  2.8159E+03  3.8213E+01  1.5585E+03
OH            4454    0.000000   -0.683000
  1.7418E+01  2.7357E+00  1.8063E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4455    1.008000    0.418000
  1.7014E+01  1.9243E+00  1.8330E+01
 -6.6414E+00  5.5015E+00  7.1298E+00
  1.5092E+03 -1.1476E+03 -2.2188E+03
HC            4456    1.008000    0.040000
  1.5797E+01  3.7845E+00  1.8813E+01
  4.8395E+00  5.6451E-01 -1.7366E+01
  4.5506E+02 -5.4952E+02  3.1401E+01
HC            4457    1.008000    0.040000
  1.7349E+01  4.6178E+00  1.9066E+01
  6.8360E+00 -1.3775E+00  1.4147E+01
  1.8593E+02 -1.7548E+02 -2.0364E+03
HC            4458    1.008000    0.040000
  1.7028E+01  3.2506E+00  1.9990E+01
 -8.3749E+00  3.2258E+00  2.2925E+00
 -1.1763E+03 -3.1219E+02  1.6656E+02
CT            4459   12.011000    0.145000
 -2.5761E+00 -6.4227E+00  3.5500E+00
  1.2202E+00  2.0552E+00  8.6221E-01
 -1.4679E+03  6.3566E+02 -8.7396E+02
OH            4460    0.000000   -0.683000
 -3.3502E+00 -6.4604E+00  4.7279E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4461    1.008000    0.418000
 -2.8225E+00 -6.3702E+00  5.5067E+00
  4.1043E+00 -9.6786E+00 -1.5150E+00
  3.5137E+02  2.5314E+03 -8.0776E+02
HC            4462    1.008000    0.040000
 -2.4974E+00 -5.4921E+00  2.9879E+00
  1.3717E+01 -1.0757E+01 -1.9940E+01
  1.0172E+03  9.3086E+02  3.4386E+03
HC            4463    1.008000    0.040000
 -3.0715E+00 -6.9796E+00  2.7547E+00
 -5.0199E+00  5.0218E+00  2.6080E+00
 -2.3848E+02 -1.7233E+03  1.3302E+03
HC            4464    1.008000    0.040000
 -1.5895E+00 -6.8671E+00  3.6814E+00
 -2.4363E+00 -9.6013E+00 -9.2060E+00
 -4.2878E+01  6.7355E+02 -5.8380E+02
CT            4465   12.011000    0.145000
 -1.8329E+01 -1.5736E-01 -1.8102E+01
  7.8768E-01 -9.7703E-02 -5.1148E-01
 -2.1887E+03  9.9554E+02 -1.2960E+03
OH            4466    0.000000   -0.683000
 -1.8722E+01 -1.4646E+00 -1.8455E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4467    1.008000    0.418000
 -1.9201E+01 -1.4020E+00 -1.9268E+01
 -7.5456E+00  8.3677E+00  4.8988E+00
 -5.9838E+02  2.4523E+03  6.0681E+02
HC            4468    1.008000    0.040000
 -1.9190E+01  4.9472E-01 -1.7950E+01
  4.1572E+00  1.3909E+00  1.3668E+01
 -7.0592E+02 -1.3823E+03  2.5948E+03
HC            4469    1.008000    0.040000
 -1.7785E+01  3.9881E-01 -1.8864E+01
  1.4020E+01 -1.4389E+01 -1.9817E+00
  2.2678E+03 -2.7726E+03 -2.8497E+02
HC            4470    1.008000    0.040000
 -1.7748E+01 -2.9945E-01 -1.7191E+01
 -2.1051E+00 -1.4779E+01 -7.0849E-01
  3.7575E+02  2.6287E+03 -5.0282E+02
CT            4471   12.011000    0.145000
  1.3912E+01 -4.4235E+00 -7.0841E+00
  4.1062E+00  9.1909E-01  3.6037E+00
  3.3648E+03  5.5373E+02 -5.3918E+03
OH            4472    0.000000   -0.683000
  1.3668E+01 -3.0373E+00 -7.1677E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4473    1.008000    0.418000
  1.3671E+01 -2.7153E+00 -8.0561E+00
 -7.7918E+00  1.3916E+01  4.6991E+00
 -1.4968E+03 -1.3248E+03 -1.3056E+02
HC            4474    1.008000    0.040000
  1.3498E+01 -5.0594E+00 -6.3015E+00
  1.3364E+00 -2.6331E+01 -1.8423E+01
 -5.3896E+00  2.9906E+03 -2.5393E+02
HC            4475    1.008000    0.040000
  1.4981E+01 -4.6346E+00 -7.1267E+00
  7.1321E+00  1.1104E+01  2.0046E+01
  5.6023E+02  1.6206E+03  2.3544E+03
HC            4476    1.008000    0.040000
  1.3644E+01 -4.8885E+00 -8.0329E+00
 -3.4198E+00  4.0693E+00  4.1119E+00
 -3.5590E+03  2.6010E+01  6.2146E+02
CT            4477   12.011000    0.145000
  1.8083E+01 -1.9743E+01  1.6005E+01
 -3.4916E+00 -7.0577E-01 -1.9051E+00
 -1.3811E+02 -4.9163E+02 -7.1935E+02
OH            4478    0.000000   -0.683000
  1.8430E+01 -1.8789E+01  1.5026E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4479    1.008000    0.418000
  1.8594E+01 -1.9284E+01  1.4238E+01
 -1.2548E+01  2.3663E-01 -2.9776E+00
 -8.2923E+02  8.2210E+02 -5.3370E+02
HC            4480    1.008000    0.040000
  1.7162E+01 -1.9464E+01  1.6515E+01
 -5.6392E+00  7.4291E+00 -9.9709E+00
 -2.6582E+02 -6.9469E+01 -7.2940E+02
HC            4481    1.008000    0.040000
  1.8821E+01 -1.9826E+01  1.6803E+01
 -1.4615E+01  2.4554E+01  1.2192E+01
  2.0483E+02 -1.9444E+01 -1.5952E+03
HC            4482    1.008000    0.040000
  1.7935E+01  2.0261E+01  1.5402E+01
 -5.8646E+00  1.3871E+01 -2.4172E+01
 -5.1192E+02 -3.8372E+02  2.1317E+03
CT            4483   12.011000    0.145000
  1.7620E+01 -1.7828E+01  8.7808E+00
 -2.6588E+00 -2.0745E+00 -9.6854E+00
  1.3903E+03 -1.9715E+02  3.0734E+02
OH            4484    0.000000   -0.683000
  1.8363E+01 -1.9025E+01  8.8439E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4485    1.008000    0.418000
  1.8953E+01 -1.9043E+01  8.1060E+00
 -1.6850E+01  4.7653E+00 -1.4285E+01
 -1.8825E+03  9.0587E+02 -1.0953E+03
HC            4486    1.008000    0.040000
  1.6882E+01 -1.7889E+01  7.9809E+00
 -2.0742E+01 -5.9884E+00  6.5381E+00
 -9.8190E+02  5.6988E+02  1.5557E+03
HC            4487    1.008000    0.040000
  1.8214E+01 -1.6928E+01  8.6238E+00
 -2.0471E+00 -3.6469E+00 -1.6714E+01
  1.7236E+03 -1.2705E+03 -9.2255E+02
HC            4488    1.008000    0.040000
  1.7129E+01 -1.7589E+01  9.7245E+00
  1.0270E+01 -3.8069E+00 -2.2907E+00
 -1.1298E+03 -2.3385E+03 -3.5103E+02
CT            4489   12.011000    0.145000
  8.7798E-01 -4.0091E+00 -1.6675E+01
 -7.1312E+00 -2.9378E+00 -3.2960E+00
 -1.2507E+03 -5.8577E+01 -1.9470E+03
OH            4490    0.000000   -0.683000
  4.0819E-01 -2.6871E+00 -1.6815E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4491    1.008000    0.418000
  4.1064E-02 -2.6040E+00 -1.7682E+01
  7.7751E+00 -2.3109E+01 -6.2411E+00
  9.8513E+02 -1.1426E+03  5.9561E+01
HC            4492    1.008000    0.040000
  1.5127E+00 -4.2299E+00 -1.7533E+01
 -4.0876E+00 -7.1357E-01 -1.6369E+00
  1.3369E+03 -1.9030E+03  1.4172E+03
HC            4493    1.008000    0.040000
 -2.9288E-02 -4.5797E+00 -1.6873E+01
 -3.3399E+00 -2.3682E+00 -2.4634E+01
  9.1000E+02 -1.4901E+03  3.5710E+03
HC            4494    1.008000    0.040000
  1.4610E+00 -4.0220E+00 -1.5754E+01
  1.5932E+01 -2.7350E+00 -1.7110E+01
 -1.3177E+03 -3.4140E+03 -3.7475E+02
CT            4495   12.011000    0.145000
 -1.8723E+01  8.6596E+00  6.6929E+00
  4.5440E-01 -3.0458E+00  1.9323E+00
  9.3683E+02 -1.3106E+03 -1.6164E+02
OH            4496    0.000000   -0.683000
 -1.7630E+01  9.2499E+00  7.3594E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4497    1.008000    0.418000
 -1.8001E+01  9.8975E+00  7.9392E+00
 -1.6627E+01 -5.6169E+00 -3.8002E+00
 -2.8878E+02 -3.9786E+02 -2.4693E+02
HC            4498    1.008000    0.040000
 -1.9764E+01  8.8689E+00  6.9397E+00
  2.8121E+00  2.4316E+01 -7.8888E+00
  2.3515E+03  3.9835E+03  3.6572E+03
HC            4499    1.008000    0.040000
 -1.8742E+01  7.5876E+00  6.8895E+00
  2.2170E+00 -1.9633E-01  1.9213E+01
  2.8687E+03 -9.8363E+00 -1.1954E+03
HC            4500    1.008000    0.040000
 -1.8770E+01  8.9470E+00  5.6425E+00
 -9.0166E+00  2.8572E+01  9.9082E+00
  2.1070E+03 -5.7624E+02  9.8394E+02
CT            4501   12.011000    0.145000
 -5.0665E+00  2.6043E+00  2.0080E+01
  5.8153E-01 -2.2679E+00  2.5448E+00
 -5.3281E+02 -1.0235E+04 -1.7119E+03
OH            4502    0.000000   -0.683000
 -6.4402E+00  2.6141E+00  2.0398E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4503    1.008000    0.418000
 -6.9323E+00  1.8659E+00  2.0096E+01
 -1.3881E+01 -3.1661E+00  2.7334E+01
  5.6293E+03 -1.4151E+03 -9.5073E+02
HC            4504    1.008000    0.040000
 -4.3704E+00  3.3043E+00 -2.0358E+01
 -1.4450E+00 -6.9865E+00  1.3044E+01
 -2.6876E+03  1.3807E+03  6.9561E+01
HC            4505    1.008000    0.040000
 -4.8433E+00  2.4044E+00  1.9032E+01
  1.0163E+01 -2.1790E+01  7.8318E+00
 -1.2338E+03  2.9979E+03 -2.8626E+02
HC            4506    1.008000    0.040000
 -4.6623E+00  1.6380E+00  2.0382E+01
  9.0903E+00 -2.8529E+00 -9.9644E+00
 -4.4419E+02  1.9677E+01  1.9959E+03
CT            4507   12.011000    0.145000
  5.4048E+00  1.5410E+01  6.2639E+00
  1.8571E+00  1.4804E+00 -9.1187E-01
 -1.2152E+03 -9.7720E+02  6.7755E+02
OH            4508    0.000000   -0.683000
  6.2239E+00  1.5050E+01  7.3534E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4509    1.008000    0.418000
  5.8395E+00  1.5314E+01  8.1751E+00
  1.6533E+01 -1.0843E+01  1.1877E+01
 -3.9346E+02  1.5791E+03 -1.5632E+03
HC            4510    1.008000    0.040000
  5.8444E+00  1.5309E+01  5.2716E+00
 -4.9081E+00  3.9014E-01 -3.8538E+00
  1.8257E+03 -8.6455E+02  1.1199E+03
HC            4511    1.008000    0.040000
  5.0745E+00  1.6446E+01  6.3400E+00
  1.4927E+01  4.8823E+00  1.5394E+01
  1.8811E+03  1.9762E+02  1.0723E+03
HC            4512    1.008000    0.040000
  4.4730E+00  1.4854E+01  6.1607E+00
  3.1231E+00  2.3256E+00 -2.0737E+01
  1.0401E+03 -1.3251E+03  1.4551E+03
CT            4513   12.011000    0.145000
 -4.8748E+00 -1.0012E+01  1.1499E+01
  5.9750E+00 -2.6204E+00 -3.2482E+00
  4.6834E+03 -1.3046E+03 -2.0461E+03
OH            4514    0.000000   -0.683000
 -4.2560E+00 -1.0143E+01  1.2759E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4515    1.008000    0.418000
 -3.9549E+00 -1.1032E+01  1.2871E+01
 -3.8663E+00 -2.3616E+00 -7.6457E+00
 -1.9815E+03 -6.1930E+02 -3.8357E+01
HC            4516    1.008000    0.040000
 -4.4583E+00 -1.0837E+01  1.0920E+01
  2.1571E+01  1.1663E+01 -1.3307E+01
 -3.9568E+02  1.0351E+03 -1.5227E+03
HC            4517    1.008000    0.040000
 -4.4553E+00 -9.1117E+00  1.1050E+01
  9.7919E+00 -1.5054E+01 -2.6199E+01
 -1.2007E+03 -6.3713E+02 -1.3932E+03
HC            4518    1.008000    0.040000
 -5.9588E+00 -1.0007E+01  1.1385E+01
  4.5251E+00  4.1038E+00  9.1081E+00
  8.8606E+01 -2.0860E+01  3.1966E+03
CT            4519   12.011000    0.145000
 -8.7613E+00  1.7426E+01 -3.7125E+00
 -5.1617E+00  3.3824E+00  5.5021E-01
 -2.6232E+03  1.3941E+03  5.2942E+02
OH            4520    0.000000   -0.683000
 -9.5203E+00  1.6241E+01 -3.6200E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4521    1.008000    0.418000
 -8.9365E+00  1.5571E+01 -3.3000E+00
 -1.8028E+01 -1.3270E+01  6.7889E+00
 -1.0717E+03 -8.9780E+02 -1.4038E+03
HC            4522    1.008000    0.040000
 -7.9957E+00  1.7415E+01 -4.4882E+00
 -1.4944E+01 -7.3870E+00 -9.3484E+00
 -1.7586E+03 -2.1350E+03 -1.2863E+03
HC            4523    1.008000    0.040000
 -8.1934E+00  1.7785E+01 -2.8542E+00
  4.4351E+00  9.0671E-01 -4.6177E+00
 -8.3364E+02 -3.5729E+03  1.7817E+03
HC            4524    1.008000    0.040000
 -9.3323E+00  1.8346E+01 -3.8344E+00
 -9.6419E+00  2.1124E+00  1.0894E+01
 -2.6783E+03 -1.8855E+03 -2.0128E+03
CT            4525   12.011000    0.145000
  1.2444E+01  5.4215E+00  1.1764E+01
  1.8915E-01  9.9782E-01  2.9385E-01
  7.4370E+03  3.0378E+03  2.4902E+03
OH            4526    0.000000   -0.683000
  1.2134E+01  5.0861E+00  1.3098E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4527    1.008000    0.418000
  1.1195E+01  5.0067E+00  1.3163E+01
  1.2084E+00 -5.3886E+00  1.4538E+01
  7.5830E+01  3.2439E+03 -2.4566E+03
HC            4528    1.008000    0.040000
  1.2111E+01  6.4379E+00  1.1552E+01
  3.2203E+00  5.9713E+00  1.7826E+01
 -2.0917E+03 -1.5792E+03 -1.6372E+03
HC            4529    1.008000    0.040000
  1.2273E+01  4.6529E+00  1.1010E+01
 -7.8381E+00 -3.1784E+00  6.2106E+00
 -1.8317E+03  5.0242E+02  5.7361E+02
HC            4530    1.008000    0.040000
  1.3517E+01  5.6071E+00  1.1740E+01
 -1.8867E-01  4.7402E+00 -3.2025E+01
 -1.7878E+01 -1.1863E+03 -1.1113E+03
CT            4531   12.011000    0.145000
  2.8693E+00 -2.7787E+00  7.4087E+00
 -3.4643E+00 -1.1404E+00 -1.3016E+00
  1.1994E+03  2.9805E+03  3.2066E+03
OH            4532    0.000000   -0.683000
  2.8678E+00 -1.7105E+00  6.4883E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4533    1.008000    0.418000
  2.2526E+00 -1.1624E+00  6.9512E+00
 -2.9462E+00  8.1407E-01 -4.8087E+00
 -2.8361E+02  1.5286E+03 -2.1799E+03
HC            4534    1.008000    0.040000
  3.5374E+00 -3.6193E+00  7.2217E+00
 -2.8347E+00 -2.1815E+00  5.3830E+00
  2.0815E+02  5.7601E+02 -4.4813E+02
HC            4535    1.008000    0.040000
  1.9134E+00 -3.1310E+00  7.7962E+00
 -2.1218E+01  1.4765E+01 -2.7413E+01
 -1.5698E+03  5.5227E+02 -5.1726E+03
HC            4536    1.008000    0.040000
  3.1597E+00 -2.2974E+00  8.3426E+00
  7.5377E+00 -6.8277E+00 -1.6280E+00
  3.6595E+03 -7.3693E+02 -3.3178E+02
CT            4537   12.011000    0.145000
  5.4992E+00  8.9391E+00  1.1768E+01
  5.4653E+00 -1.3759E+00  9.1230E-01
  1.8449E+03 -6.9427E+02  7.1329E+02
OH            4538    0.000000   -0.683000
  5.4490E+00  9.5915E+00  1.3017E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4539    1.008000    0.418000
  6.3157E+00  9.9574E+00  1.3107E+01
 -2.2510E+00  4.4984E+00  3.8567E+00
 -7.5914E+02  1.5628E+03  9.7766E+02
HC            4540    1.008000    0.040000
  5.5326E+00  9.6881E+00  1.0977E+01
  1.7082E+01 -6.5930E+00 -3.7678E+00
  2.8732E+02 -1.2989E+03 -9.3188E+02
HC            4541    1.008000    0.040000
  4.6792E+00  8.2417E+00  1.1598E+01
  7.2835E+00 -1.4456E-01 -1.4236E+01
 -8.9368E+01  6.2565E+02 -3.1155E+02
HC            4542    1.008000    0.040000
  6.4414E+00  8.4000E+00  1.1669E+01
  8.7640E+00  8.1230E+00 -3.0322E+01
 -9.4982E+02  6.4733E+00 -9.4704E+02
CT            4543   12.011000    0.145000
  1.7457E+01  8.7583E+00  1.1292E+01
 -5.3400E+00 -1.8646E+00  2.5537E+00
  4.8897E+03 -2.0487E+03 -3.0409E+03
OH            4544    0.000000   -0.683000
  1.6831E+01  8.8466E+00  1.0032E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4545    1.008000    0.418000
  1.6719E+01  9.7797E+00  9.9327E+00
  9.8028E+00  2.5394E+00  1.0642E+01
  1.2811E+03 -1.3751E+02 -6.9882E+02
HC            4546    1.008000    0.040000
  1.7674E+01  7.7015E+00  1.1448E+01
 -2.7918E+00 -1.5293E+00  1.3352E+00
 -5.0611E+02 -2.0192E+02  6.5270E+02
HC            4547    1.008000    0.040000
  1.7010E+01  9.1317E+00  1.2213E+01
 -1.4231E+01 -1.9963E+01  6.0324E+00
 -3.1605E+03  2.0633E+01 -2.4705E+03
HC            4548    1.008000    0.040000
  1.8436E+01  9.2358E+00  1.1315E+01
 -1.0576E+01  9.3353E+00  2.8468E+01
 -7.5110E+02  3.8542E+02 -1.3059E+03
CT            4549   12.011000    0.145000
 -5.7563E+00 -1.5520E+01  5.0793E+00
 -8.0170E+00 -1.1758E-01 -9.4062E-01
 -3.4477E+03  2.3114E+03  1.8337E+02
OH            4550    0.000000   -0.683000
 -5.9117E+00 -1.5571E+01  6.4798E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4551    1.008000    0.418000
 -6.0256E+00 -1.4686E+01  6.7936E+00
 -1.2014E+00  1.3220E+00 -4.0960E+00
  5.0235E+02 -2.7683E+02  8.3537E+02
HC            4552    1.008000    0.040000
 -5.3296E+00 -1.6434E+01  4.6645E+00
 -6.7962E-01 -5.8779E+00  1.8195E+01
 -2.9254E+02 -3.0445E+02  1.8602E+03
HC            4553    1.008000    0.040000
 -5.2372E+00 -1.4704E+01  4.5780E+00
  2.5428E+01 -9.5398E+00  1.5396E+01
  3.8953E+03  2.8188E+02  5.7934E+03
HC            4554    1.008000    0.040000
 -6.6792E+00 -1.5338E+01  4.5289E+00
 -5.7647E+00 -1.6568E+01 -1.0852E+01
 -2.1681E+03 -2.7030E+03  2.8498E+03
CT            4555   12.011000    0.145000
  7.1472E+00  3.5787E+00 -1.0206E+01
 -3.5126E+00 -2.7496E-01 -3.1922E+00
  4.0418E+03 -1.4860E+03 -6.1757E+02
OH            4556    0.000000   -0.683000
  7.5836E+00  4.7888E+00 -1.0783E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4557    1.008000    0.418000
  7.9564E+00  5.3000E+00 -1.0081E+01
 -1.1433E+01  7.7526E+00  7.0049E-01
  3.4122E+03 -1.5234E+03 -1.3173E+03
HC            4558    1.008000    0.040000
  8.1152E+00  3.1556E+00 -9.9371E+00
  1.5293E+01  2.5315E+01 -2.5130E+01
 -2.3535E+03 -4.3498E+02  1.9604E+03
HC            4559    1.008000    0.040000
  6.7239E+00  2.9652E+00 -1.1001E+01
 -1.7507E+01 -1.1987E+00  4.6437E+00
 -3.2043E+03 -1.8813E+02  1.9236E+03
HC            4560    1.008000    0.040000
  6.5794E+00  3.9105E+00 -9.3363E+00
  2.0525E+01  1.0225E+01  9.4750E+00
 -6.2673E+02 -3.8805E+03 -5.8728E+02
CT            4561   12.011000    0.145000
  6.7708E+00  5.9888E-01 -2.7177E+00
  3.1219E+00  2.8112E+00 -3.5780E+00
 -2.6024E+03 -6.3395E+02  3.3383E+03
OH            4562    0.000000   -0.683000
  7.8071E+00  6.5226E-01 -1.7631E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4563    1.008000    0.418000
  7.9393E+00  1.5858E+00 -1.8265E+00
 -2.2483E+01  3.3590E+00 -6.1551E+00
  2.3704E+03 -1.0258E+03  5.5892E+03
HC            4564    1.008000    0.040000
  6.7200E+00 -3.6417E-01 -3.2257E+00
  4.7089E+00 -3.7715E+00  8.3712E+00
  8.6356E+02  5.6954E+02 -5.3083E+02
HC            4565    1.008000    0.040000
  6.6976E+00  1.4032E+00 -3.4497E+00
 -1.6218E+01 -4.4900E+00 -1.0311E+01
  1.1001E+03 -3.8107E+02  5.8132E+02
HC            4566    1.008000    0.040000
  5.8198E+00  6.4836E-01 -2.1876E+00
  6.5860E+00 -3.0565E-01  3.0510E+00
  7.6776E+01  4.9465E+02  6.4482E+02
CT            4567   12.011000    0.145000
  1.9815E+01 -3.4358E+00  3.1002E+00
  2.1240E+00  2.4006E-01  7.6850E-01
  2.7983E+03  5.0679E+02  3.7322E+02
OH            4568    0.000000   -0.683000
  1.9541E+01 -2.0927E+00  3.4307E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4569    1.008000    0.418000
  1.9957E+01 -2.0115E+00  4.2752E+00
  1.2132E+01 -9.5000E+00 -4.7569E+00
 -1.9396E+03 -3.4567E+02  5.6037E+02
HC            4570    1.008000    0.040000
 -2.0044E+01 -3.4861E+00  3.4184E+00
  6.9358E+00  1.2564E+01 -1.1969E+01
 -3.3053E+01 -2.7410E+03 -9.4560E+02
HC            4571    1.008000    0.040000
  1.9755E+01 -3.5669E+00  2.0197E+00
 -3.7955E+00 -1.2663E+01  2.4716E+00
 -1.2188E+03 -1.9958E+03  4.2968E+02
HC            4572    1.008000    0.040000
  1.9144E+01 -4.0776E+00  3.6709E+00
 -8.7368E-01 -1.1363E+01 -1.5111E+01
  4.2462E+02 -1.5323E+03 -1.8982E+03
CT            4573   12.011000    0.145000
 -1.9409E+01 -1.3811E+01 -8.4181E+00
  1.9817E+00 -6.0647E-01  6.1995E-01
  7.6085E+02 -8.0299E+01 -1.1899E+03
OH            4574    0.000000   -0.683000
 -1.9030E+01 -1.2457E+01 -8.3120E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4575    1.008000    0.418000
 -1.8114E+01 -1.2361E+01 -8.5243E+00
 -1.5080E+00 -6.9495E+00 -1.0409E+01
 -2.6239E+02 -9.8348E+02 -1.1659E+03
HC            4576    1.008000    0.040000
  2.0413E+01 -1.3892E+01 -8.2806E+00
  4.1948E+00 -9.7876E-01  2.0744E+01
  5.1840E+02 -1.9894E+02  1.0035E+03
HC            4577    1.008000    0.040000
 -1.8911E+01 -1.4494E+01 -7.7296E+00
  2.7302E+00  5.0473E+00  5.7709E+00
 -4.0051E+02  2.1362E+03  2.3855E+03
HC            4578    1.008000    0.040000
 -1.9165E+01 -1.4315E+01 -9.3534E+00
  7.0623E+00  4.9546E+00 -1.1147E+00
  1.5118E+02  3.1338E+03 -1.7662E+03
CT            4579   12.011000    0.145000
 -1.0131E+01 -1.1109E+01 -5.6788E+00
  3.4165E+00  4.3887E-01 -2.2076E-01
  5.0931E+03  1.9575E+03 -1.8996E+03
OH            4580    0.000000   -0.683000
 -1.0059E+01 -1.2163E+01 -6.6122E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4581    1.008000    0.418000
 -9.1809E+00 -1.2469E+01 -6.4433E+00
  8.1057E+00  9.4251E+00 -2.1460E+01
 -5.3010E+02 -1.4076E+03 -2.6417E+03
HC            4582    1.008000    0.040000
 -9.3716E+00 -1.0357E+01 -5.8948E+00
 -1.0109E+00  5.5497E+00  1.7750E+00
  2.2413E+03 -2.0783E+03 -8.8783E+02
HC            4583    1.008000    0.040000
 -9.8363E+00 -1.1469E+01 -4.6929E+00
  4.4452E+00 -7.4197E+00 -3.3220E+00
 -2.8389E+03  5.4530E+02  8.1931E+02
HC            4584    1.008000    0.040000
 -1.0935E+01 -1.0380E+01 -5.7740E+00
  3.6826E+00 -3.9102E-01 -9.7972E+00
 -2.6812E+03 -3.3061E+03  1.6729E+03
CT            4585   12.011000    0.145000
  1.0982E+01  1.6213E+01 -6.1924E+00
  1.6559E+00 -2.4649E+00  2.7481E+00
 -2.7076E+01  1.5691E+03  4.6967E+03
OH            4586    0.000000   -0.683000
  1.2223E+01  1.6859E+01 -6.3662E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4587    1.008000    0.418000
  1.2867E+01  1.6172E+01 -6.4495E+00
  1.6639E+00 -8.5754E-02  1.1845E+01
 -5.1950E+02  7.4550E+00 -1.4325E+03
HC            4588    1.008000    0.040000
  1.1126E+01  1.5609E+01 -5.2965E+00
  1.7871E+01 -5.3821E+00 -1.5062E+00
 -1.1316E+03 -1.1808E+03 -6.8776E+02
HC            4589    1.008000    0.040000
  1.0579E+01  1.5604E+01 -7.0020E+00
 -3.0172E+00  1.1365E+01 -5.6728E+00
  1.2257E+03  1.0815E+03 -6.4867E+02
HC            4590    1.008000    0.040000
  1.0229E+01  1.6952E+01 -5.9205E+00
 -1.5462E+01 -1.7940E+01 -6.1099E-01
 -1.4381E+03 -9.4601E+02 -2.0104E+03
CT            4591   12.011000    0.145000
 -1.4533E+01  9.8672E+00 -1.1886E+00
  7.4210E-01  1.3298E+00  1.4990E+00
  2.1074E+03 -3.4341E+03  1.1624E+03
OH            4592    0.000000   -0.683000
 -1.5589E+01  9.4900E+00 -3.3404E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4593    1.008000    0.418000
 -1.6398E+01  9.7571E+00 -7.4312E-01
  9.7277E+00  2.1819E+00 -1.8931E+01
  2.8146E+03  3.1382E+03 -3.1767E+03
HC            4594    1.008000    0.040000
 -1.4598E+01  9.5890E+00 -2.2404E+00
  2.3997E+01 -3.0472E+01  6.9637E+00
 -2.2800E+03  3.7664E+03  1.4193E+03
HC            4595    1.008000    0.040000
 -1.3705E+01  9.1816E+00 -1.0074E+00
  8.2754E+00  4.5873E+00 -1.8102E+01
  1.2720E+03  2.3180E+03  1.9074E+03
HC            4596    1.008000    0.040000
 -1.4375E+01  1.0887E+01 -8.3788E-01
 -1.1437E+01  4.9654E+00 -3.0912E+00
  2.5400E+03  6.7401E+02 -4.4903E+03
CT            4597   12.011000    0.145000
 -1.2975E+01  1.2924E+01 -1.0838E+01
 -4.0589E+00 -4.5693E+00 -2.4011E+00
 -2.5687E+03 -2.4386E+03 -1.6058E+03
OH            4598    0.000000   -0.683000
 -1.3122E+01  1.3684E+01 -1.2017E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4599    1.008000    0.418000
 -1.3466E+01  1.4533E+01 -1.1784E+01
  7.2724E+00  5.1868E+00 -7.5656E+00
 -1.1767E+03 -3.5945E+02 -1.0837E+03
HC            4600    1.008000    0.040000
 -1.2175E+01  1.3453E+01 -1.0320E+01
 -1.8494E+01  9.6714E+00  6.2824E+00
 -3.2095E+03 -7.8452E+01  3.9338E+03
HC            4601    1.008000    0.040000
 -1.2731E+01  1.1869E+01 -1.0962E+01
  9.7967E+00  1.4454E+00 -3.9042E+01
  6.4643E+02  1.3803E+03 -2.4220E+03
HC            4602    1.008000    0.040000
 -1.3995E+01  1.2987E+01 -1.0461E+01
  9.7259E+00 -6.4928E-01  3.9443E+01
  2.8561E+03  1.0411E+03  5.5311E+03
CT            4603   12.011000    0.145000
 -1.2080E+01  1.1935E+01 -1.7726E+01
 -3.1522E+00 -6.4115E+00 -6.9900E+00
  5.2746E+03  2.7375E+03 -2.3855E+03
OH            4604    0.000000   -0.683000
 -1.2700E+01  1.3001E+01 -1.8409E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4605    1.008000    0.418000
 -1.2445E+01  1.3875E+01 -1.8159E+01
 -1.0716E+01  6.6091E+00 -1.1054E+01
  1.1814E+03 -1.7921E+03  2.9159E+03
HC            4606    1.008000    0.040000
 -1.2352E+01  1.0901E+01 -1.7940E+01
  7.9340E+00 -1.5519E+01  1.8796E+01
 -2.1217E+03  1.3423E+03  1.6974E+03
HC            4607    1.008000    0.040000
 -1.2027E+01  1.2198E+01 -1.6669E+01
 -1.3969E+01  1.0533E+01 -1.0282E+01
 -8.9736E+02 -2.0561E+03 -6.5607E+01
HC            4608    1.008000    0.040000
 -1.1065E+01  1.1970E+01 -1.8124E+01
  1.3767E+00 -1.3444E+01  3.4771E+00
  1.1275E+03 -3.3843E+02  1.6999E+03
CT            4609   12.011000    0.145000
  2.0281E+01  7.7586E-01  1.9743E+01
  3.0495E+00  6.2429E-01 -4.5571E-02
  5.2409E+02 -1.3298E+03 -3.9322E+03
OH            4610    0.000000   -0.683000
 -2.0348E+01 -5.3275E-01  2.0192E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4611    1.008000    0.418000
  1.9782E+01 -1.0584E+00  2.0041E+01
  8.3593E+00 -1.6281E+01  1.0976E+01
  9.3278E+02 -5.9165E+02 -8.1610E+01
HC            4612    1.008000    0.040000
 -2.0066E+01  1.0817E+00  1.8855E+01
 -1.9767E+01  4.3248E+00 -1.3786E+01
  8.7249E+02 -2.9186E+03  2.2571E+02
HC            4613    1.008000    0.040000
  2.0429E+01  1.6552E+00  2.0370E+01
 -8.8051E+00 -1.0054E+00  5.3096E+00
  7.5654E+01 -3.1287E+03  3.7049E+03
HC            4614    1.008000    0.040000
  1.9256E+01  9.3947E-01  1.9410E+01
 -7.0023E+00  1.6690E+01  3.4196E+01
  5.3597E+02 -1.8826E+03  1.5798E+03
CT            4615   12.011000    0.145000
 -2.6176E+00 -7.2451E+00  8.4569E+00
 -2.8802E+00  7.3708E+00  9.8595E+00
  3.8474E+03 -9.3190E+02 -3.2557E+03
OH            4616    0.000000   -0.683000
 -2.4908E+00 -6.1104E+00  7.6295E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4617    1.008000    0.418000
 -3.0140E+00 -5.5262E+00  8.1567E+00
  1.6941E+01  2.6976E+00  1.4796E+01
  6.7595E+02  1.4559E+03 -2.0647E+03
HC            4618    1.008000    0.040000
 -1.8099E+00 -7.9688E+00  8.3480E+00
  1.1110E+01  2.5688E+01 -2.2794E+01
  1.3156E+03  2.8523E+03 -2.5893E+03
HC            4619    1.008000    0.040000
 -3.4089E+00 -7.8703E+00  8.0433E+00
  1.0892E+01 -4.3593E+00  2.2752E-01
 -1.9113E+03  1.6266E+03  3.3812E+03
HC            4620    1.008000    0.040000
 -2.5347E+00 -7.1186E+00  9.5363E+00
  1.6302E+01 -2.9600E+01  1.4345E+01
 -3.3667E+03  5.6252E+02 -2.1164E+03
CT            4621   12.011000    0.145000
 -1.2594E+01  7.7662E+00 -1.6867E+01
  4.5245E+00  3.9041E+00  2.3239E+00
 -8.1124E+02 -1.6406E+03 -8.8480E+02
OH            4622    0.000000   -0.683000
 -1.2004E+01  7.8333E+00 -1.8146E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4623    1.008000    0.418000
 -1.1369E+01  8.5125E+00 -1.7977E+01
 -1.2998E+01  1.4057E+01 -5.3204E+00
  1.4593E+03 -1.8098E+03 -1.5144E+03
HC            4624    1.008000    0.040000
 -1.3621E+01  7.4008E+00 -1.6839E+01
  7.3029E+00 -4.1490E+00  1.6894E+00
 -2.8196E+02  5.9354E+02 -2.0488E+03
HC            4625    1.008000    0.040000
 -1.2627E+01  8.8016E+00 -1.6528E+01
 -7.6305E+00  1.1353E+01 -1.9571E+01
  1.4335E+03 -1.6311E+03  1.7400E+03
HC            4626    1.008000    0.040000
 -1.2093E+01  7.0465E+00 -1.6220E+01
 -2.9220E+00  8.1871E+00  1.3138E+01
  1.5227E+03  2.0285E+03  8.2580E+02
CT            4627   12.011000    0.145000
 -1.2523E+01 -1.9917E+01 -8.6339E+00
 -7.2049E-01 -3.6995E+00 -4.4119E+00
  1.6284E+03  9.5690E+02 -1.1393E+03
OH            4628    0.000000   -0.683000
 -1.3308E+01 -1.8956E+01 -9.3037E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4629    1.008000    0.418000
 -1.4207E+01 -1.9150E+01 -9.0858E+00
 -7.1564E+00  1.2176E+01 -1.6493E+01
  3.3081E+02  5.7862E+02 -1.6846E+02
HC            4630    1.008000    0.040000
 -1.1537E+01 -1.9811E+01 -9.0869E+00
 -7.1318E+00  1.2566E+01 -1.5519E+01
  7.3327E+01 -1.2406E+02  7.8992E+02
HC            4631    1.008000    0.040000
 -1.2796E+01  1.9933E+01 -8.7332E+00
  1.4643E+01 -7.3457E+00 -1.1116E+01
 -1.4767E+03  1.0381E+03 -2.0373E+03
HC            4632    1.008000    0.040000
 -1.2371E+01 -1.9795E+01 -7.5614E+00
  1.6396E+01 -2.0292E-01 -6.9340E+00
 -1.1833E+03  2.4803E+03 -5.3649E+02
CT            4633   12.011000    0.145000
 -1.3434E+01 -1.8252E+01 -1.4553E+01
 -1.2827E-01 -4.5340E+00  3.4606E+00
 -3.8672E+02 -1.0356E+03 -7.9001E+02
OH            4634    0.000000   -0.683000
 -1.4838E+01 -1.8152E+01 -1.4483E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4635    1.008000    0.418000
 -1.4870E+01 -1.7597E+01 -1.3718E+01
  2.2611E+01  2.1578E+00  4.7124E-02
 -5.4475E+03 -1.3178E+03 -6.9255E+02
HC            4636    1.008000    0.040000
 -1.3241E+01 -1.8929E+01 -1.5386E+01
 -1.7066E+01  1.0119E+01 -1.3312E+01
  1.2652E+03  2.3051E+03 -8.7129E+02
HC            4637    1.008000    0.040000
 -1.2887E+01 -1.8660E+01 -1.3703E+01
  7.5150E+00 -7.1553E+00 -2.5845E+00
 -2.4128E+03 -3.8588E+02  1.0681E+03
HC            4638    1.008000    0.040000
 -1.3001E+01 -1.7254E+01 -1.4611E+01
  6.8127E+00 -5.1060E+00  3.1275E+01
  1.3386E+02 -1.3422E+03 -2.1269E+03
CT            4639   12.011000    0.145000
 -4.7733E+00 -6.9677E+00 -2.2071E+00
 -1.1627E+00 -7.9966E-01  9.2401E-01
 -4.3780E+01 -2.3387E+02 -5.7872E+02
OH            4640    0.000000   -0.683000
 -5.7325E+00 -6.0056E+00 -2.5845E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4641    1.008000    0.418000
 -6.3177E+00 -6.3355E+00 -3.2491E+00
  1.9219E+01 -7.4409E+00 -1.4167E+01
  2.3766E+03 -3.1724E+03  6.6614E+01
HC            4642    1.008000    0.040000
 -5.3339E+00 -7.8737E+00 -1.9769E+00
  2.5381E+01 -1.7356E+01  4.7135E+00
  3.2837E+03 -1.2906E+03  4.0959E+02
HC            4643    1.008000    0.040000
 -4.2392E+00 -6.6312E+00 -1.3186E+00
 -5.4435E+00 -3.1207E+00  4.4169E+00
 -6.6800E+02 -5.6391E+02  5.4154E+02
HC            4644    1.008000    0.040000
 -4.0686E+00 -7.0860E+00 -3.0302E+00
 -1.7766E+01 -3.7773E+00 -1.3461E+01
 -1.1844E+03 -1.9776E+03 -3.0501E+02
CT            4645   12.011000    0.145000
 -5.9182E+00  1.2718E+01 -1.0820E+01
 -1.0820E+00 -3.2104E-03 -1.4080E-01
 -2.1884E+03  1.3403E+03  5.5860E+03
OH            4646    0.000000   -0.683000
 -5.9544E+00  1.1345E+01 -1.0503E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4647    1.008000    0.418000
 -5.1075E+00  1.1020E+01 -1.0768E+01
  1.4430E+01  3.2777E+01  1.0606E+00
 -9.0723E+02  1.4720E+03 -3.2426E+02
HC            4648    1.008000    0.040000
 -5.6888E+00  1.3100E+01 -1.1815E+01
 -2.1770E+00 -1.0355E+01 -4.4930E+00
  3.6044E+02 -6.4324E+03 -2.0030E+03
HC            4649    1.008000    0.040000
 -5.2564E+00  1.3398E+01 -1.0284E+01
  2.2645E+00  1.1606E+01 -1.8125E+01
  1.6910E+02 -3.0621E+03  2.5755E+03
HC            4650    1.008000    0.040000
 -6.9460E+00  1.3002E+01 -1.0594E+01
 -9.5608E+00 -1.2200E+01 -2.0547E+01
  5.9779E+02  1.3678E+03 -4.7022E+02
CT            4651   12.011000    0.145000
  4.3909E+00 -6.4260E+00 -1.8550E+01
 -3.4096E+00  2.6833E+00 -2.2027E+00
  1.0724E+03  5.4019E+03 -2.7142E+03
OH            4652    0.000000   -0.683000
  4.1635E+00 -5.7331E+00 -1.7343E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4653    1.008000    0.418000
  4.3359E+00 -6.4339E+00 -1.6733E+01
 -1.3699E+01  2.5694E-01  4.5084E+00
 -8.1049E+02  3.7014E+03  4.2366E+03
HC            4654    1.008000    0.040000
  3.9879E+00 -5.8766E+00 -1.9400E+01
 -2.2612E+01 -1.0084E+01 -1.9770E+00
 -1.7741E+03 -6.1444E+02  3.7414E+02
HC            4655    1.008000    0.040000
  3.9930E+00 -7.4402E+00 -1.8582E+01
  1.0270E-01  1.1475E+00  1.7991E+00
 -1.7916E+03  1.2161E+03  7.4606E+02
HC            4656    1.008000    0.040000
  5.4496E+00 -6.4962E+00 -1.8799E+01
 -3.6550E-01  6.4515E+00  9.0577E+00
  5.9952E+02 -3.3473E+02  2.3780E+03
CT            4657   12.011000    0.145000
  1.7033E+00  1.0616E+01 -8.0882E+00
 -1.6758E+00 -6.7893E-01  1.7315E-01
  3.1386E+03 -2.1936E+03 -3.3542E+03
OH            4658    0.000000   -0.683000
  2.1669E+00  9.7305E+00 -7.0937E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4659    1.008000    0.418000
  2.5034E+00  1.0247E+01 -6.3775E+00
 -1.0736E+01  1.5609E+01 -5.6681E+00
 -8.4148E+02  3.8484E+03 -2.5258E+03
HC            4660    1.008000    0.040000
  2.5261E+00  1.0884E+01 -8.7511E+00
  6.0370E+00 -1.2939E+01  4.4493E+00
  1.4543E+03 -6.4923E+02  1.2383E+03
HC            4661    1.008000    0.040000
  1.2624E+00  1.1589E+01 -7.8725E+00
  2.6202E+00  4.0161E-01  4.2471E+00
 -6.8985E+02 -1.6449E+03  4.2105E+03
HC            4662    1.008000    0.040000
  1.0228E+00  1.0072E+01 -8.7432E+00
 -1.1403E+01 -1.3314E+01  1.9798E+01
 -8.3863E+01 -9.0679E+01  8.4184E+02
CT            4663   12.011000    0.145000
 -1.1491E+01 -9.6686E+00  1.7043E+01
  2.4879E+00 -1.4982E+00  1.1574E+00
  7.2293E+02 -3.2112E+03  1.2451E+03
OH            4664    0.000000   -0.683000
 -1.1863E+01 -9.2749E+00  1.8344E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4665    1.008000    0.418000
 -1.2718E+01 -9.6605E+00  1.8459E+01
 -1.4032E+00 -7.6362E+00 -2.8595E+01
  1.3855E+03 -8.1272E+02 -6.9290E+00
HC            4666    1.008000    0.040000
 -1.0625E+01 -9.1393E+00  1.6646E+01
 -1.7321E+00  1.0181E+01  7.0474E+00
 -6.6194E+01  4.4819E+02  1.1219E+03
HC            4667    1.008000    0.040000
 -1.2267E+01 -9.6843E+00  1.6278E+01
  4.1030E+00 -1.3771E+01 -4.3351E-01
 -8.4965E+02  1.3012E+03  1.3323E+03
HC            4668    1.008000    0.040000
 -1.1228E+01 -1.0716E+01  1.7194E+01
  2.8552E+00 -6.1125E-01  6.8711E+00
  4.5169E+02 -3.5569E+02 -1.7092E+03
CT            4669   12.011000    0.145000
 -4.3596E+00 -1.6891E+01  8.8733E+00
 -1.6460E+00  2.3859E+00  1.6477E+00
  5.7722E+03  5.2093E+03  6.7419E+02
OH            4670    0.000000   -0.683000
 -3.9613E+00 -1.7466E+01  1.0097E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4671    1.008000    0.418000
 -3.1500E+00 -1.7049E+01  1.0345E+01
 -5.2953E+00  5.9165E+00  7.9056E+00
 -1.5813E+03  1.9799E+03  1.8180E+03
HC            4672    1.008000    0.040000
 -4.5383E+00 -1.5917E+01  9.3299E+00
 -6.3994E+00 -2.1143E+00  9.6135E+00
 -3.5996E+03  1.5027E+03 -4.3924E+03
HC            4673    1.008000    0.040000
 -5.1645E+00 -1.7316E+01  8.2736E+00
 -1.0995E+01  8.5575E-03  1.5412E+01
 -1.4415E+03 -6.4106E+02  3.4843E+03
HC            4674    1.008000    0.040000
 -3.5061E+00 -1.6781E+01  8.2043E+00
 -9.8439E+00 -7.3429E+00 -1.0886E+01
  4.5780E+01 -6.2495E+02 -3.0278E+02
CT            4675   12.011000    0.145000
 -1.8698E+01 -1.7061E+01  1.4835E+01
 -2.1717E+00  4.4907E+00  2.6016E+00
  3.2251E+02 -1.6696E+03  2.0277E+03
OH            4676    0.000000   -0.683000
 -1.7397E+01 -1.6635E+01  1.5173E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4677    1.008000    0.418000
 -1.7210E+01 -1.6187E+01  1.4362E+01
  1.6431E+01  8.0791E+00  7.7727E+00
  4.7862E+03  3.4384E+02  1.3934E+03
HC            4678    1.008000    0.040000
 -1.8632E+01 -1.7741E+01  1.3985E+01
 -6.3185E+00 -3.3079E-01  6.0706E+00
 -3.4709E+02  1.0031E+03 -6.7267E+02
HC            4679    1.008000    0.040000
 -1.9307E+01 -1.6202E+01  1.4556E+01
 -2.4314E+01 -1.2704E+01 -5.0516E+00
 -1.2135E+03 -1.7355E+03  2.6663E+02
HC            4680    1.008000    0.040000
 -1.9235E+01 -1.7619E+01  1.5603E+01
 -2.1113E+01  2.3139E+01  3.8215E+00
  2.8147E+02  1.6037E+03  8.2404E+02
CT            4681   12.011000    0.145000
  2.7055E+00 -1.2279E+01 -9.0709E-01
  1.8925E+00 -7.5244E+00  4.0083E+00
  1.7045E+02  2.8583E+03 -3.6890E+03
OH            4682    0.000000   -0.683000
  4.0577E+00 -1.1888E+01 -8.2942E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4683    1.008000    0.418000
  4.2647E+00 -1.0970E+01 -9.1897E-01
 -9.5806E+00  1.5599E+00 -7.9162E+00
 -3.4060E+03  7.1992E+02  4.9474E+01
HC            4684    1.008000    0.040000
  2.0306E+00 -1.1859E+01 -1.6154E-01
 -3.3195E+00 -5.1354E+00 -1.9648E+00
  1.3471E+03 -2.2683E+03  2.0380E+03
HC            4685    1.008000    0.040000
  2.8643E+00 -1.3357E+01 -9.3448E-01
 -3.3121E+01 -1.3688E+01 -7.1148E+00
 -6.2159E+03 -1.1470E+02  3.7586E+02
HC            4686    1.008000    0.040000
  2.3652E+00 -1.1844E+01 -1.8466E+00
  1.1913E+01  2.7561E+00  4.9259E+00
 -1.6437E+02 -2.4009E+03 -1.1048E+03
CT            4687   12.011000    0.145000
  1.5801E+00 -1.2977E+01 -1.0668E+01
  4.5144E+00 -9.6113E+00  3.2731E+00
  1.9512E+03 -7.3619E+03  3.9213E+03
OH            4688    0.000000   -0.683000
  1.9258E+00 -1.2382E+01 -9.4366E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4689    1.008000    0.418000
  1.7521E+00 -1.1464E+01 -9.5737E+00
  9.5037E+00  1.7411E+00 -1.0589E+00
 -3.2037E+03 -4.1872E+02  3.2611E+03
HC            4690    1.008000    0.040000
  7.3316E-01 -1.2508E+01 -1.1169E+01
  9.8062E+00 -2.2338E+00  1.0514E+00
  1.1888E+03  3.1438E+02 -4.5812E+02
HC            4691    1.008000    0.040000
  1.2028E+00 -1.3988E+01 -1.0517E+01
 -2.8978E+01 -1.5558E+00 -1.6146E+01
  3.1421E+02  8.0991E+02  9.4091E+01
HC            4692    1.008000    0.040000
  2.4995E+00 -1.3056E+01 -1.1248E+01
  9.2708E+00  8.9590E+00  7.5975E+00
 -1.3704E+03  1.7099E+03 -1.8886E+03
CT            4693   12.011000    0.145000
  1.6726E+01 -1.3081E+01 -1.1708E+01
 -5.5213E-01  2.1369E+00  5.2559E+00
  1.6089E+03 -3.7830E+02 -2.8392E+03
OH            4694    0.000000   -0.683000
  1.7634E+01 -1.4046E+01 -1.1226E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4695    1.008000    0.418000
  1.8315E+01 -1.4062E+01 -1.1881E+01
 -1.2959E+01 -2.8084E+01 -1.4554E+01
  3.1613E+02  7.5989E+02  2.5072E+03
HC            4696    1.008000    0.040000
  1.5978E+01 -1.3817E+01 -1.2004E+01
  6.4715E+00 -6.0469E+00  7.4615E+00
 -4.1599E+03  4.6600E+03  5.3232E+02
HC            4697    1.008000    0.040000
  1.7135E+01 -1.2596E+01 -1.2594E+01
  5.9079E-01  1.7336E+00  5.5613E+00
 -1.0101E+02 -1.0386E+03 -8.9241E+02
HC            4698    1.008000    0.040000
  1.6544E+01 -1.2263E+01 -1.1010E+01
  8.0666E+00 -1.3014E+01  2.6333E+01
 -2.9736E+03 -2.8084E+03  1.3503E+03
CT            4699   12.011000    0.145000
  1.4482E+01  1.7088E+01  1.2292E+01
 -1.6509E+00  7.2922E+00 -3.7715E+00
 -2.3434E+03  1.0239E+03 -8.0855E+02
OH            4700    0.000000   -0.683000
  1.4265E+01  1.6402E+01  1.1080E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4701    1.008000    0.418000
  1.3602E+01  1.6824E+01  1.0554E+01
 -4.3622E+00  2.9594E+01  2.6213E+01
  1.1616E+01  2.7129E+03  3.8922E+03
HC            4702    1.008000    0.040000
  1.3601E+01  1.6810E+01  1.2871E+01
 -4.6844E+00  2.0107E+01 -1.9239E+00
  3.2903E+02  3.0563E+03  2.0830E+03
HC            4703    1.008000    0.040000
  1.4597E+01  1.8162E+01  1.2141E+01
  4.9564E+00  7.3027E+00  8.9387E-01
 -1.9895E+03  2.3399E+02  3.5497E+02
HC            4704    1.008000    0.040000
  1.5395E+01  1.6793E+01  1.2810E+01
  6.2711E+00 -4.5195E+00 -2.3340E+01
 -8.9164E+02 -1.7456E+03 -8.0695E+02
CT            4705   12.011000    0.145000
  8.6939E+00 -1.9811E+01  1.8067E+01
  6.7870E+00 -3.0559E-01  3.2418E+00
  8.5430E+02 -8.3927E+02  7.6403E+02
OH            4706    0.000000   -0.683000
  8.0806E+00 -2.0075E+01  1.9309E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4707    1.008000    0.418000
  8.8642E+00 -2.0210E+01  1.9820E+01
  4.0033E+00  1.3047E+01 -2.3230E+00
 -2.1994E+03 -7.0806E+02  2.5752E+03
HC            4708    1.008000    0.040000
  8.0207E+00 -1.9160E+01  1.7509E+01
  1.7857E+01  1.3899E-02 -1.0288E+01
  1.2955E+03 -1.2222E+03 -2.5139E+03
HC            4709    1.008000    0.040000
  8.8728E+00  2.0101E+01  1.7644E+01
 -1.7929E+01 -5.7318E+00  3.9566E+00
 -1.7350E+03  1.2284E+03 -2.4926E+03
HC            4710    1.008000    0.040000
  9.6692E+00 -1.9352E+01  1.8230E+01
  3.9834E+00  7.0908E-01  1.8695E+01
 -1.0599E+03  1.8445E+03 -7.0777E+01
CT            4711   12.011000    0.145000
 -1.6019E+01  1.2012E+01  1.7221E+01
  4.9265E+00 -8.2152E+00 -4.1057E-01
 -1.3476E+03 -2.1955E+03 -1.8333E+03
OH            4712    0.000000   -0.683000
 -1.6973E+01  1.1410E+01  1.8067E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4713    1.008000    0.418000
 -1.7588E+01  1.0829E+01  1.7646E+01
  1.8603E+00  3.6155E-01 -3.2557E+00
  4.3965E+03 -1.8583E+03 -3.8521E+03
HC            4714    1.008000    0.040000
 -1.5895E+01  1.3026E+01  1.7602E+01
  1.2117E+01 -5.1077E+00 -1.0576E+01
  1.9475E+03 -2.0244E+02 -9.9293E+02
HC            4715    1.008000    0.040000
 -1.6398E+01  1.2084E+01  1.6201E+01
  3.0222E+01  1.1565E+01 -9.5124E+00
  1.9905E+03  8.7560E+02 -3.5873E+01
HC            4716    1.008000    0.040000
 -1.5128E+01  1.1385E+01  1.7205E+01
 -6.6596E+00 -2.5582E+01 -2.2264E+01
  1.6456E+01  1.6040E+03 -8.8478E+02
CT            4717   12.011000    0.145000
  1.6412E+01  5.0740E+00 -1.0961E+01
 -1.3727E-02 -7.6260E-01  7.2422E+00
 -2.4174E+03 -3.3366E+02  2.5084E+03
OH            4718    0.000000   -0.683000
  1.6131E+01  6.4488E+00 -1.0824E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4719    1.008000    0.418000
  1.5581E+01  6.6976E+00 -1.1551E+01
 -4.6345E-01 -1.6946E+00 -2.3393E-01
 -2.9287E+02 -2.6970E+03 -7.0193E+02
HC            4720    1.008000    0.040000
  1.6978E+01  4.6635E+00 -1.1797E+01
 -2.4132E+00 -2.1990E+00  6.3129E+00
  8.9872E+02  4.4758E+03 -1.1514E+03
HC            4721    1.008000    0.040000
  1.5501E+01  4.4941E+00 -1.1109E+01
  6.7694E+00 -7.1157E+00 -1.2939E+01
 -2.3921E+02  7.5784E+02  1.7197E+03
HC            4722    1.008000    0.040000
  1.6981E+01  4.7188E+00 -1.0102E+01
  8.4665E+00  1.3413E+01  7.8088E+00
 -1.1025E+03  2.1840E+02  5.6642E+02
CT            4723   12.011000    0.145000
  5.3507E-01 -1.6882E+01 -1.3656E+01
 -8.3295E-01 -3.0324E+00  8.2736E+00
 -2.0693E+03 -5.8834E+02 -2.9675E+03
OH            4724    0.000000   -0.683000
 -5.2616E-01 -1.5979E+01 -1.3442E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4725    1.008000    0.418000
 -9.3591E-01 -1.6376E+01 -1.2689E+01
  1.7040E+00 -2.3698E+01 -1.0682E+01
 -4.0476E+02  1.6468E+03 -4.5271E+02
HC            4726    1.008000    0.040000
  1.5190E-01 -1.7769E+01 -1.4161E+01
 -1.8126E+01  7.1286E+00  2.6959E+00
 -7.0719E+02  1.2812E+02  6.6676E+02
HC            4727    1.008000    0.040000
  1.0459E+00 -1.7185E+01 -1.2743E+01
  2.7501E+01  7.6784E+00 -2.8681E+00
  1.4770E+03  1.8484E+03 -1.3591E+03
HC            4728    1.008000    0.040000
  1.1840E+00 -1.6350E+01 -1.4352E+01
 -3.2749E+00  1.9757E+01  2.2402E+01
  1.7738E+03 -9.2886E+02  1.9377E+03
CT            4729   12.011000    0.145000
  1.4520E+01 -1.3179E+01 -2.3523E+00
  8.7983E-01 -5.4759E+00 -4.5944E+00
  1.3360E+03 -1.5139E+03 -1.4374E+03
OH            4730    0.000000   -0.683000
  1.5198E+01 -1.3902E+01 -1.3496E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4731    1.008000    0.418000
  1.6137E+01 -1.3830E+01 -1.4370E+00
  1.1714E+00 -2.6316E+01 -2.3039E+01
 -1.5226E+03  1.0209E+03 -2.2824E+03
HC            4732    1.008000    0.040000
  1.3544E+01 -1.3597E+01 -2.5978E+00
 -3.8410E-01 -1.7027E+00 -6.0633E+00
 -7.0177E+02 -2.3279E+01  3.1602E+03
HC            4733    1.008000    0.040000
  1.4916E+01 -1.3165E+01 -3.3677E+00
 -5.9718E+00  2.2064E+01 -7.7031E+00
  3.0405E+03 -1.6261E+03  2.1102E+03
HC            4734    1.008000    0.040000
  1.4383E+01 -1.2106E+01 -2.2149E+00
 -7.5313E+00 -4.6211E+00 -1.7839E+01
  5.9213E+02 -7.4675E+02  2.2478E+03
CT            4735   12.011000    0.145000
 -7.9788E+00 -1.6512E+01 -2.0173E+01
  8.7091E-02 -6.4798E+00  4.1732E+00
  6.5540E+03 -2.0568E+02  7.2305E+02
OH            4736    0.000000   -0.683000
 -7.7654E+00 -1.7258E+01  1.9550E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4737    1.008000    0.418000
 -8.5784E+00 -1.7736E+01  1.9488E+01
  1.0777E+01 -1.8922E+01 -3.3608E+00
  8.2900E+02 -9.3565E-01 -3.8690E+03
HC            4738    1.008000    0.040000
 -8.6050E+00 -1.5632E+01 -2.0319E+01
  2.4274E+00 -8.0192E+00 -1.8750E+01
 -2.7699E+02 -1.2287E+03 -5.3882E+01
HC            4739    1.008000    0.040000
 -6.9480E+00 -1.6226E+01 -1.9964E+01
 -6.8087E+00 -3.1792E+00  4.0078E+01
 -1.4437E+03  1.7290E+03  3.6588E+03
HC            4740    1.008000    0.040000
 -8.3294E+00 -1.7245E+01 -1.9446E+01
 -4.5259E+00 -5.2669E+00  3.2036E+00
 -2.5820E+02  2.0266E+03  1.7026E+03
CT            4741   12.011000    0.145000
 -1.0053E+01 -1.2095E+01  5.1413E+00
 -1.7325E+00  1.3878E+00 -1.6164E+00
 -1.4609E+03  5.4607E+03  1.1716E+03
OH            4742    0.000000   -0.683000
 -8.9632E+00 -1.1628E+01  4.3784E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4743    1.008000    0.418000
 -9.0272E+00 -1.0695E+01  4.2406E+00
  6.7728E+00  1.2173E-01 -2.7098E+00
  1.5841E+03  3.0731E+02  1.6259E+03
HC            4744    1.008000    0.040000
 -1.0029E+01 -1.1708E+01  6.1601E+00
  5.5377E+00 -9.0550E+00  2.3440E+00
  7.7565E+02  1.7443E+02  4.3277E+01
HC            4745    1.008000    0.040000
 -1.0138E+01 -1.3177E+01  5.2431E+00
  6.4020E+00  5.4196E-01 -3.1377E+00
  8.6577E+02  1.8228E+02 -2.3606E+03
HC            4746    1.008000    0.040000
 -1.0931E+01 -1.1645E+01  4.6771E+00
 -1.5625E+01 -1.1600E+01  1.0945E+01
 -1.4506E+03 -2.3953E+03  4.9376E+02
CT            4747   12.011000    0.145000
  1.6300E+01  1.5708E+01  6.5394E+00
  4.7615E+00  2.5928E+00  2.9120E+00
  6.7981E+02 -7.9497E+01  1.0699E+02
OH            4748    0.000000   -0.683000
  1.7104E+01  1.5496E+01  5.4007E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4749    1.008000    0.418000
  1.6630E+01  1.5146E+01  4.6621E+00
 -4.3772E+00  1.5821E+00  2.0257E+00
 -1.7798E+03 -1.4802E+03  1.8535E+03
HC            4750    1.008000    0.040000
  1.6626E+01  1.6543E+01  7.1594E+00
  8.7099E+00  1.7340E+01 -1.7949E+01
  1.7932E+03 -3.6706E+02 -1.3301E+03
HC            4751    1.008000    0.040000
  1.6370E+01  1.4833E+01  7.1861E+00
 -1.1167E+01  1.5552E+01  2.3458E+01
 -3.0344E+03  1.5939E+02 -5.3007E+02
HC            4752    1.008000    0.040000
  1.5294E+01  1.5996E+01  6.2364E+00
  8.4766E+00  1.6424E-01 -1.2598E+01
 -3.3450E+02 -2.3057E+03 -3.6643E+01
CT            4753   12.011000    0.145000
 -1.1057E+01 -1.3524E+01 -9.4504E+00
 -7.3875E-01  5.7383E+00 -2.4885E+00
 -4.2628E+03 -2.7582E+03 -2.9947E+03
OH            4754    0.000000   -0.683000
 -1.2041E+01 -1.3238E+01 -8.4818E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4755    1.008000    0.418000
 -1.1555E+01 -1.2592E+01 -7.9927E+00
  4.6594E+00  1.1741E+01 -1.9070E+01
 -1.0810E+03 -2.1863E+03  2.2392E+03
HC            4756    1.008000    0.040000
 -1.0167E+01 -1.3950E+01 -8.9869E+00
  5.4479E+00  1.1681E+01 -8.6802E+00
  1.8279E+02  4.8067E+02 -7.9039E+02
HC            4757    1.008000    0.040000
 -1.1438E+01 -1.4227E+01 -1.0192E+01
 -6.3725E+00 -7.7926E+00  1.2622E+01
 -8.2857E+02 -2.6808E+03  2.5300E+03
HC            4758    1.008000    0.040000
 -1.0757E+01 -1.2748E+01 -1.0154E+01
  2.1435E+01  6.8567E+00  7.3790E+00
  7.2226E+02  2.3138E+03  3.5639E+03
CT            4759   12.011000    0.145000
 -1.5094E+01  6.7313E+00 -4.3645E+00
  1.8647E+00 -2.2986E-02  5.7839E-03
 -6.6470E+02 -3.1540E+02 -2.8968E+03
OH            4760    0.000000   -0.683000
 -1.5113E+01  5.3284E+00 -4.2240E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4761    1.008000    0.418000
 -1.5175E+01  5.1955E+00 -3.2904E+00
  2.5176E+01 -1.3680E+01  5.9143E-01
 -1.3395E+03 -1.7281E+03 -1.2814E+03
HC            4762    1.008000    0.040000
 -1.5668E+01  7.1089E+00 -3.5186E+00
 -4.3550E+00 -7.7907E+00 -6.3248E-01
  5.0266E+02  2.1275E+03 -1.0503E+03
HC            4763    1.008000    0.040000
 -1.5545E+01  6.9299E+00 -5.3366E+00
  2.1641E+01 -6.4955E+00 -1.1070E+01
 -9.8059E+01  1.4717E+03  7.5429E+02
HC            4764    1.008000    0.040000
 -1.4065E+01  7.0898E+00 -4.4082E+00
  1.7151E+00  1.1421E+00  5.3574E+00
 -3.4218E+02  9.5406E+02  1.1123E+03
CT            4765   12.011000    0.145000
 -1.3139E+00  1.3299E+01 -2.0146E+01
  6.8412E-01 -5.6166E+00 -3.3093E+00
 -2.8954E+01 -2.3636E+03 -7.5798E+02
OH            4766    0.000000   -0.683000
 -6.1444E-01  1.2748E+01 -1.9053E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4767    1.008000    0.418000
  2.6437E-01  1.3095E+01 -1.9055E+01
 -9.1109E-01  3.2605E+00 -1.9001E+01
 -2.4233E+02  1.3478E+02 -3.0514E+03
HC            4768    1.008000    0.040000
 -2.3664E+00  1.3031E+01 -2.0053E+01
  4.4250E+00 -1.5675E+01  1.4779E+01
  6.9740E+01  1.5509E+03  9.2836E+02
HC            4769    1.008000    0.040000
 -9.5939E-01  1.2842E+01  1.9830E+01
  1.8896E+01  2.5808E+01 -1.3393E+01
  1.0591E+03  2.7531E+03 -2.7768E+01
HC            4770    1.008000    0.040000
 -1.1206E+00  1.4371E+01 -2.0123E+01
  1.4875E+01 -8.0991E+00  1.0224E+01
 -7.1079E+02 -5.1686E+02 -1.4334E+03
CT            4771   12.011000    0.145000
  1.1570E+01 -1.9583E+01  1.1140E+01
 -2.7188E-01  2.0204E+00 -1.0299E+00
 -3.6259E+02 -7.2501E+00 -2.8812E+02
OH            4772    0.000000   -0.683000
  1.0620E+01 -1.9217E+01  1.2115E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4773    1.008000    0.418000
  1.1113E+01 -1.8949E+01  1.2875E+01
  1.2983E+01  6.5085E+00 -1.0311E+01
 -5.1058E+01 -2.2291E+03  2.9011E+02
HC            4774    1.008000    0.040000
  1.1097E+01 -1.9636E+01  1.0159E+01
 -2.8483E+01 -3.1094E+01  1.2224E+01
  1.1406E+03  9.5021E+02  1.6682E+03
HC            4775    1.008000    0.040000
  1.1936E+01  2.0307E+01  1.1327E+01
  2.1724E+01  7.8701E+00 -9.3391E+00
  1.8021E+03  1.1123E+03  1.5625E+02
HC            4776    1.008000    0.040000
  1.2375E+01 -1.8862E+01  1.1279E+01
  2.2955E+01 -1.8890E+01 -1.7855E+01
  1.4458E+03 -2.1890E+03 -2.8724E+03
CT            4777   12.011000    0.145000
 -3.2807E+00 -1.0394E+01  1.5067E+00
  1.6695E+00  1.9319E+00 -5.3878E+00
 -2.9601E+03 -1.5487E+03  4.2657E+02
OH            4778    0.000000   -0.683000
 -2.8082E+00 -1.1686E+01  1.1965E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4779    1.008000    0.418000
 -2.7503E+00 -1.1707E+01  2.5351E-01
 -1.4397E+01  2.5266E+01 -2.3337E+00
  5.6236E+02 -8.8232E+01  1.0027E+03
HC            4780    1.008000    0.040000
 -4.3604E+00 -1.0406E+01  1.3578E+00
 -9.7643E-01 -3.4885E+00  1.1953E+01
  1.5718E+02  7.9114E+02 -3.4110E+02
HC            4781    1.008000    0.040000
 -2.8018E+00 -9.6050E+00  9.2736E-01
  2.1905E+01 -6.4102E+00 -8.8799E-01
  7.8019E+02 -6.9516E+02  7.9164E+02
HC            4782    1.008000    0.040000
 -3.2123E+00 -1.0241E+01  2.5836E+00
 -2.3207E+01 -2.1294E+00 -2.6302E+00
  9.2050E+02  9.6907E+02 -9.3816E+02
CT            4783   12.011000    0.145000
  1.2269E+01  9.1583E+00  6.6940E+00
  3.7431E+00 -1.9331E+00 -5.3094E-01
 -2.9156E+03  1.8749E+03  5.4940E+02
OH            4784    0.000000   -0.683000
  1.2675E+01  1.0193E+01  5.8260E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4785    1.008000    0.418000
  1.2508E+01  1.1003E+01  6.2824E+00
 -2.0388E+01 -3.1602E+00 -9.1177E-01
  2.7307E+03  7.6452E+02 -1.8452E+03
HC            4786    1.008000    0.040000
  1.1181E+01  9.2075E+00  6.7416E+00
  4.5285E+00  1.8546E+01  5.9541E+00
  1.8775E+02  6.8143E+02  9.9324E+02
HC            4787    1.008000    0.040000
  1.2614E+01  9.4989E+00  7.6703E+00
 -2.5886E+01  8.0661E+00  7.5196E+00
 -6.3436E+02 -1.0777E+03 -4.8664E+02
HC            4788    1.008000    0.040000
  1.2511E+01  8.1126E+00  6.5034E+00
  5.2046E+00 -1.0081E-01 -9.1492E+00
  2.4523E+03  1.1638E+03 -1.9998E+03
CT            4789   12.011000    0.145000
  1.3350E+01  1.9824E+01 -1.8991E-01
  5.2127E-01 -4.8805E-01  3.4819E+00
 -3.3651E+03  2.0698E+02 -1.8787E+02
OH            4790    0.000000   -0.683000
  1.3377E+01 -1.9679E+01 -1.7151E-03
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4791    1.008000    0.418000
  1.2861E+01 -1.9290E+01 -6.9173E-01
  1.0003E+01 -1.3244E+01 -1.5694E+01
  1.6588E+03  1.3600E+02 -5.2457E+02
HC            4792    1.008000    0.040000
  1.4142E+01  1.9324E+01  3.6776E-01
  1.2390E+01  1.4512E+01  7.4789E-01
  1.2067E+03  6.6854E+02 -2.0088E+03
HC            4793    1.008000    0.040000
  1.3185E+01  1.9536E+01 -1.2283E+00
 -1.3068E+01  2.3001E+01 -1.5878E+00
  4.0274E+03  1.7053E+03 -3.2113E+02
HC            4794    1.008000    0.040000
  1.2441E+01  1.9359E+01  1.9195E-01
 -1.2359E+00  5.7667E+00  7.0501E+00
 -8.3169E+02  2.4099E+03  1.6246E+03
CT            4795   12.011000    0.145000
  6.8386E+00  6.7224E+00 -5.1838E+00
 -1.5447E+00 -9.6946E+00  3.9531E+00
  2.3445E+03 -1.3743E+03 -9.8875E+02
OH            4796    0.000000   -0.683000
  7.9045E+00  6.9308E+00 -4.2846E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4797    1.008000    0.418000
  7.6420E+00  7.7028E+00 -3.8070E+00
  3.2240E+00 -5.1899E+00  1.0469E+01
  3.2747E+03  7.6650E+02  2.8323E+02
HC            4798    1.008000    0.040000
  6.7391E+00  7.2968E+00 -6.1048E+00
 -1.1605E+01  3.3555E+00  1.2799E+01
  3.8481E+03  2.2476E+02  2.7311E+02
HC            4799    1.008000    0.040000
  5.9578E+00  7.1321E+00 -4.6894E+00
 -5.6760E+00 -1.2207E+00 -9.8641E+00
 -1.3178E+03  9.7039E+02 -3.7820E+03
HC            4800    1.008000    0.040000
  6.7295E+00  5.6470E+00 -5.3242E+00
 -1.0254E+01 -1.1769E+01  2.3355E+01
 -9.3333E+02  5.6201E+02 -8.8083E+02
CT            4801   12.011000    0.145000
 -9.0058E+00 -3.2882E+00 -9.3115E+00
  6.1316E+00  3.9589E+00  3.7455E+00
  6.0099E+03  3.0985E+03 -1.0970E+03
OH            4802    0.000000   -0.683000
 -8.2709E+00 -4.4905E+00 -9.2616E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4803    1.008000    0.418000
 -8.8126E+00 -5.2373E+00 -9.0565E+00
 -2.2465E+01  1.4321E+01 -3.6565E+00
 -2.6671E+03  2.6452E+03  7.4490E+02
HC            4804    1.008000    0.040000
 -8.4118E+00 -2.5050E+00 -8.8405E+00
  1.4898E+01 -4.3953E-01  2.3476E-01
  1.8560E+03 -1.7637E+03  1.4325E+03
HC            4805    1.008000    0.040000
 -9.9477E+00 -3.0830E+00 -8.8028E+00
 -4.4662E+00 -1.1089E+01 -8.8287E+00
 -1.0364E+03 -4.8424E+03 -1.1496E+03
HC            4806    1.008000    0.040000
 -8.8832E+00 -2.8610E+00 -1.0307E+01
  9.4721E+00 -1.3605E+01 -3.7602E+00
 -3.6405E+03 -1.6358E+03 -1.1005E+03
CT            4807   12.011000    0.145000
 -1.5580E+01 -6.7601E+00 -1.2900E+01
 -8.9882E+00  4.9620E-01  2.0865E+00
  5.2180E+03 -2.6079E+02 -2.2785E+03
OH            4808    0.000000   -0.683000
 -1.5776E+01 -5.8893E+00 -1.3992E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4809    1.008000    0.418000
 -1.5742E+01 -5.0124E+00 -1.3641E+01
  2.1371E+01 -9.2987E+00  2.4451E+01
 -8.9298E+02 -1.9179E+03  2.1294E+03
HC            4810    1.008000    0.040000
 -1.6227E+01 -6.7797E+00 -1.2023E+01
 -1.1486E+00 -4.0522E+00  7.8940E+00
 -1.6097E+03  1.9659E+03 -1.9761E+03
HC            4811    1.008000    0.040000
 -1.4583E+01 -6.5421E+00 -1.2519E+01
  2.8737E+00  2.9631E+00 -2.7645E+01
 -3.8349E+02  2.2973E+02 -8.1712E+02
HC            4812    1.008000    0.040000
 -1.5432E+01 -7.7524E+00 -1.3326E+01
  2.2592E+01  6.6037E+00 -3.6440E+00
 -8.6209E+02  3.2290E+02  1.5616E+03
CT            4813   12.011000    0.145000
 -1.9688E+01  6.3646E+00 -1.0324E+01
  2.2076E+00 -6.6070E+00  3.3078E+00
  1.3682E+03 -2.6852E+03  2.5279E+03
OH            4814    0.000000   -0.683000
 -1.8353E+01  6.8178E+00 -1.0328E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4815    1.008000    0.418000
 -1.8008E+01  6.7669E+00 -9.4490E+00
  1.7978E+01 -1.6893E+00 -6.7200E+00
 -8.2817E+02 -4.5377E+02 -1.8841E+02
HC            4816    1.008000    0.040000
 -1.9713E+01  5.4950E+00 -1.0980E+01
  1.1810E+01 -8.8324E+00  5.7343E+00
 -1.4833E+03 -8.6975E+02  1.3649E+03
HC            4817    1.008000    0.040000
 -2.0396E+01  7.1080E+00 -1.0690E+01
 -1.1702E+01 -2.4615E+01 -8.1282E+00
 -2.0099E+02 -1.8612E+03 -1.2385E+03
HC            4818    1.008000    0.040000
 -1.9867E+01  6.1779E+00 -9.2649E+00
  4.3943E-01 -5.9774E+00  3.1236E+00
 -2.3687E+03 -2.2822E+03 -5.8160E+02
CT            4819   12.011000    0.145000
  1.5500E+01  7.9563E-01 -1.8336E+01
  1.5533E+00 -1.5961E+00  5.3893E+00
  4.2036E+03  2.3968E+02  1.9490E+03
OH            4820    0.000000   -0.683000
  1.5302E+01  2.1194E+00 -1.7893E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4821    1.008000    0.418000
  1.6146E+01  2.5435E+00 -1.7901E+01
 -1.0361E+00  2.0795E+00 -7.4936E+00
  4.7513E+02 -1.0158E+03 -2.5972E+03
HC            4822    1.008000    0.040000
  1.6149E+01  7.8676E-01 -1.9212E+01
  2.3260E+01 -3.9216E+00  2.0677E+01
 -2.1322E+03 -1.4874E+01 -5.4821E+02
HC            4823    1.008000    0.040000
  1.4599E+01  1.8943E-01 -1.8427E+01
 -1.5847E+01  2.3962E+01 -4.0670E+00
 -7.3185E+01  2.0422E+03 -1.3697E+02
HC            4824    1.008000    0.040000
  1.6180E+01  2.9349E-01 -1.7647E+01
  4.3647E+00 -1.3472E+01 -5.6460E+00
 -9.2743E+02 -5.6212E+02  5.9093E+02
CT            4825   12.011000    0.145000
  9.0223E+00  1.5990E+01 -1.1227E+01
 -1.3699E+00 -6.8605E-01  2.3366E+00
 -4.4685E+03 -1.0574E+02 -1.6499E+03
OH            4826    0.000000   -0.683000
  9.1553E+00  1.4625E+01 -1.1553E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4827    1.008000    0.418000
  9.5419E+00  1.4531E+01 -1.2410E+01
 -2.0513E+01  6.6109E+00 -1.0654E+01
 -1.0738E+03  1.9387E+03 -1.7798E+02
HC            4828    1.008000    0.040000
  8.6060E+00  1.6389E+01 -1.2152E+01
  1.9920E+01 -1.4176E+01 -1.4028E+01
  8.9780E+02  1.4130E+03  9.3723E+02
HC            4829    1.008000    0.040000
  9.9383E+00  1.6479E+01 -1.0895E+01
 -6.2858E-01 -9.1771E+00  1.3380E+01
 -3.7789E+02 -5.4244E+02  1.5566E+02
HC            4830    1.008000    0.040000
  8.2773E+00  1.5926E+01 -1.0434E+01
  1.0975E+01  2.4489E+00  1.4580E+01
  1.0806E+03  2.9570E+03  1.2651E+03
CT            4831   12.011000    0.145000
 -2.0358E+01  1.0329E+01  1.9833E+01
 -1.7638E+00  4.1279E-03  3.2881E+00
  2.4156E+03 -3.2660E+03  4.5252E+02
OH            4832    0.000000   -0.683000
  1.9557E+01  9.4713E+00  1.9301E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4833    1.008000    0.418000
  1.9814E+01  8.5707E+00  1.9428E+01
 -3.3382E+00 -3.1108E+00 -1.3698E+01
  7.9021E+02  5.6759E+02  4.3050E+02
HC            4834    1.008000    0.040000
 -1.9923E+01  9.8332E+00 -2.0199E+01
  1.2854E+01  9.2921E-01 -3.2129E+00
  2.0534E+03 -4.3573E+02 -1.1320E+03
HC            4835    1.008000    0.040000
  2.0291E+01  1.1331E+01  2.0179E+01
 -7.7306E+00  2.5275E+00 -7.8653E+00
 -2.0224E+03  1.0982E+02 -2.7255E+03
HC            4836    1.008000    0.040000
 -1.9734E+01  1.0376E+01  1.8940E+01
 -1.5951E+01  1.0039E+01 -6.5347E+00
  3.1076E+03  1.8661E+03  2.8917E+03
CT            4837   12.011000    0.145000
 -8.8738E+00  1.8730E+01  3.0389E+00
  5.2742E+00 -5.2601E+00 -7.0675E+00
 -4.8276E+03  3.2058E+03  6.5307E+03
OH            4838    0.000000   -0.683000
 -8.4757E+00  1.7814E+01  4.0333E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4839    1.008000    0.418000
 -8.7253E+00  1.8061E+01  4.9105E+00
  2.7860E+00 -3.7267E+00  1.8738E+00
 -1.4154E+03  2.6777E+03 -1.2866E+03
HC            4840    1.008000    0.040000
 -8.7878E+00  1.8743E+01  1.9524E+00
 -1.2838E+00  1.7558E+00 -7.5922E+00
  1.6865E+03 -6.5114E+03  1.0415E+03
HC            4841    1.008000    0.040000
 -8.3766E+00  1.9675E+01  3.2593E+00
  5.9484E+00 -8.8257E+00  7.7504E+00
 -3.2107E+03  1.1223E+03  2.4738E+03
HC            4842    1.008000    0.040000
 -9.9188E+00  1.8914E+01  3.2890E+00
  7.8963E+00 -1.9541E+01  1.7630E+01
  5.1151E+01 -4.6938E+02 -5.9052E+02
CT            4843   12.011000    0.145000
 -1.9446E+00 -2.0109E+01 -1.0590E+01
  3.4384E+00  3.1242E-01  4.8629E-01
  1.2746E+03  7.6967E+02 -1.6487E+03
OH            4844    0.000000   -0.683000
 -1.7552E+00  1.9501E+01 -1.1126E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4845    1.008000    0.418000
 -1.4958E+00  1.8948E+01 -1.0404E+01
  5.6873E+00 -3.3083E+00 -4.4870E+00
 -2.3033E+02  2.9509E+03  2.1021E+03
HC            4846    1.008000    0.040000
 -1.0867E+00 -1.9438E+01 -1.0551E+01
 -4.4268E+00  1.3309E+01 -2.6215E+01
  2.4741E+03 -4.7102E+03 -1.2317E+03
HC            4847    1.008000    0.040000
 -2.4912E+00 -1.9982E+01 -9.6556E+00
 -2.4458E+01 -2.5023E+01 -1.0733E+01
  1.9212E+02 -6.2289E+03 -3.0438E+02
HC            4848    1.008000    0.040000
 -2.5330E+00 -1.9371E+01 -1.1135E+01
  2.9985E-01 -6.2073E+00 -5.1076E+00
 -1.3663E+03 -4.6852E+03 -5.1103E+03
CT            4849   12.011000    0.145000
  1.0840E+01 -6.0103E+00 -5.3489E+00
  3.5864E+00  1.6054E+00  4.9876E-01
 -2.0097E+03  3.3637E+02 -7.5221E+02
OH            4850    0.000000   -0.683000
  1.1172E+01 -6.3494E+00 -6.6766E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4851    1.008000    0.418000
  1.2036E+01 -6.7303E+00 -6.7138E+00
  8.0959E+00  1.8231E+01 -1.9560E+01
 -1.2304E+03 -3.5515E+02  1.6293E+03
HC            4852    1.008000    0.040000
  1.1582E+01 -5.5003E+00 -4.7350E+00
 -3.5905E+00  1.9776E+01 -5.2403E+00
  1.9727E+03 -3.7913E+02 -3.0757E+03
HC            4853    1.008000    0.040000
  1.0492E+01 -6.8671E+00 -4.7718E+00
  6.6403E+00  2.9304E+00  4.3522E+00
 -1.4786E+02 -3.1768E+02 -6.2883E+02
HC            4854    1.008000    0.040000
  1.0037E+01 -5.2769E+00 -5.4202E+00
  9.5574E+00  1.0128E+01  1.5994E+01
 -1.6171E+02 -2.1935E+02  1.2552E+03
CT            4855   12.011000    0.145000
 -6.9088E+00  1.0620E+01  2.9702E+00
  1.3857E+00  1.5153E+00 -3.2933E+00
  2.4073E+03 -1.2982E+03 -2.5862E+03
OH            4856    0.000000   -0.683000
 -7.9537E+00  1.0004E+01  2.2515E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4857    1.008000    0.418000
 -7.6265E+00  9.2447E+00  1.7935E+00
 -2.3593E+01 -7.7780E+00 -5.3708E+00
 -1.2857E+02 -6.5457E+02  2.4893E+03
HC            4858    1.008000    0.040000
 -6.1988E+00  1.1058E+01  2.2683E+00
  1.0016E+01  8.3452E+00  9.2953E+00
  9.4459E+02 -1.1062E+03  2.8538E+02
HC            4859    1.008000    0.040000
 -6.3736E+00  9.8142E+00  3.4723E+00
  3.2546E+01  1.2901E+01 -1.5731E+01
 -1.9595E+02  2.0405E+03  1.0798E+03
HC            4860    1.008000    0.040000
 -7.1268E+00  1.1466E+01  3.6227E+00
 -2.7005E+00  4.5896E+00 -8.5596E+00
 -2.4145E+03 -1.4693E+03  5.7423E+02
CT            4861   12.011000    0.145000
 -1.7741E+01  1.5065E+01 -1.0953E+01
  3.3122E+00 -1.3415E+00 -8.6867E-01
 -2.3227E+03  8.6327E+02  7.5063E+02
OH            4862    0.000000   -0.683000
 -1.8037E+01  1.3884E+01 -1.0243E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4863    1.008000    0.418000
 -1.7558E+01  1.3211E+01 -1.0702E+01
 -4.8773E+00 -2.4304E+00 -1.6037E+00
 -2.1460E+01  7.3842E+02 -1.0265E+03
HC            4864    1.008000    0.040000
 -1.8190E+01  1.5078E+01 -1.1947E+01
 -1.5528E+01  8.6901E+00  7.2528E+00
  1.9104E+03 -1.4747E+03 -1.3688E+02
HC            4865    1.008000    0.040000
 -1.6657E+01  1.5179E+01 -1.0966E+01
  6.1627E+00 -2.4181E+01 -9.8958E+00
 -9.1302E+02  9.0249E+02 -8.0116E+02
HC            4866    1.008000    0.040000
 -1.8284E+01  1.5915E+01 -1.0541E+01
 -1.5339E+00  5.1137E+00 -1.9564E+01
  1.6841E+03  1.1031E+02  1.1443E+03
CT            4867   12.011000    0.145000
 -2.6832E+00  7.5360E+00  9.9226E+00
 -3.6519E+00 -9.3077E+00  4.6134E+00
 -4.4840E+03 -5.1362E+02  5.8247E+03
OH            4868    0.000000   -0.683000
 -1.6896E+00  7.6517E+00  1.0916E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4869    1.008000    0.418000
 -2.0075E+00  7.8521E+00  1.1783E+01
  1.2194E+00  4.0046E+01 -6.9020E+00
 -3.1709E+03  3.4080E+03 -3.2303E+03
HC            4870    1.008000    0.040000
 -3.0753E+00  8.4624E+00  9.5030E+00
  1.0726E+01  5.3599E+00  2.1847E+01
  2.8841E+03  5.4473E+02  6.0630E+01
HC            4871    1.008000    0.040000
 -3.5365E+00  7.1658E+00  1.0491E+01
  1.2299E+01 -2.2762E+01  2.1044E+01
  1.7926E+02 -1.5498E+03 -8.7793E+02
HC            4872    1.008000    0.040000
 -2.4231E+00  6.8180E+00  9.1448E+00
 -1.3199E+00  4.6771E+00 -7.9785E+00
  1.9370E+03  2.0039E+03 -3.6543E+02
CT            4873   12.011000    0.145000
  1.7811E+01 -4.7087E+00 -3.6068E+00
  3.3373E+00 -2.0769E-02 -4.5015E-01
 -2.0799E+03 -1.8476E+03  4.6689E+03
OH            4874    0.000000   -0.683000
  1.7895E+01 -3.4272E+00 -3.0247E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4875    1.008000    0.418000
  1.8433E+01 -2.9551E+00 -3.6412E+00
 -8.5217E+00  9.2891E-02 -7.5851E+00
 -5.2512E+02  7.6288E+02  3.2800E+02
HC            4876    1.008000    0.040000
  1.7541E+01 -5.4246E+00 -2.8305E+00
  9.9730E+00  2.7164E+00  4.4824E+00
  6.5557E+02  6.1212E+02  1.3478E+03
HC            4877    1.008000    0.040000
  1.8792E+01 -5.0165E+00 -3.9696E+00
  9.6552E+00  2.4233E+01 -5.7558E+00
 -1.2270E+03  3.6265E+02 -1.2059E+03
HC            4878    1.008000    0.040000
  1.6986E+01 -4.9673E+00 -4.2701E+00
  5.5781E+00 -2.3602E+01  5.0598E+00
  1.8611E+03  3.2372E+03 -1.9679E+03
CT            4879   12.011000    0.145000
  1.2127E+01  1.9895E+01  3.1364E+00
 -7.0498E-01  9.9458E-01  4.3054E-01
  2.6537E+02 -6.1578E+02 -3.7998E+03
OH            4880    0.000000   -0.683000
  1.3263E+01 -2.0173E+01  3.0725E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4881    1.008000    0.418000
  1.3434E+01 -2.0110E+01  2.1452E+00
 -1.8999E+01 -4.9638E+00 -4.2742E+00
 -2.5543E+02  1.3296E+03  5.0379E+02
HC            4882    1.008000    0.040000
  1.1724E+01  1.9648E+01  4.1186E+00
 -6.2966E+00 -1.1850E+01 -4.8691E+00
  2.2948E+03  9.2490E+02  4.9456E+02
HC            4883    1.008000    0.040000
  1.2388E+01  1.8990E+01  2.5891E+00
 -1.5403E-02  1.2519E+01 -1.9262E+01
  3.6503E+02 -3.2226E+02  1.5568E+03
HC            4884    1.008000    0.040000
  1.1311E+01  2.0261E+01  2.5119E+00
  1.3052E+01  1.0776E+01 -1.2530E+01
  6.6615E+02  1.8425E+03  5.9571E+02
CT            4885   12.011000    0.145000
  3.4775E+00  1.7077E+01  5.2990E-01
  5.7355E+00 -4.4011E-01  4.8860E+00
  5.4373E+03  6.0080E+00  1.1046E+02
OH            4886    0.000000   -0.683000
  3.5794E+00  1.8484E+01  5.2529E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4887    1.008000    0.418000
  3.9113E+00  1.8754E+01  1.3677E+00
 -3.0534E+00 -6.2869E+00  3.2945E+00
  1.8177E+03 -2.9778E+03  2.0616E+02
HC            4888    1.008000    0.040000
  2.9823E+00  1.6762E+01  1.4482E+00
 -7.5461E+00 -1.2803E+01 -6.0375E+00
 -1.4735E+03 -2.1263E+03 -1.9611E+03
HC            4889    1.008000    0.040000
  4.4706E+00  1.6628E+01  5.1306E-01
 -1.9952E-01 -1.3985E+01  2.6152E+00
  4.4465E+02  5.2599E+02  1.3784E+03
HC            4890    1.008000    0.040000
  3.0850E+00  1.6664E+01 -3.9941E-01
 -3.7203E+00 -4.6515E+00  1.0600E+01
 -3.3393E+03  4.0458E+02  1.4377E+03
CT            4891   12.011000    0.145000
  1.0120E+01 -1.6365E+01  1.5447E+01
 -3.2287E+00 -4.3829E-01  1.5213E+00
  8.7872E+02  2.8143E+03  2.0895E+03
OH            4892    0.000000   -0.683000
  1.0696E+01 -1.7209E+01  1.6419E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4893    1.008000    0.418000
  1.0643E+01 -1.6720E+01  1.7226E+01
  1.1463E+01 -1.8267E+01  1.2591E+01
  2.8180E+03 -2.8690E+03  1.6181E+03
HC            4894    1.008000    0.040000
  1.0864E+01 -1.5595E+01  1.5245E+01
 -1.8689E+01  2.2374E+01  2.4981E+01
 -1.3385E+03  5.1041E+02  1.4412E+03
HC            4895    1.008000    0.040000
  9.2455E+00 -1.5907E+01  1.5911E+01
  1.9748E+00 -1.0843E+01  2.2888E+01
  1.5117E+03  1.0432E+03  9.1923E+02
HC            4896    1.008000    0.040000
  9.7657E+00 -1.6634E+01  1.4452E+01
  1.5056E+01  4.5452E+00 -6.7623E+00
  2.4498E+03 -5.1231E+03  1.2550E+03
CT            4897   12.011000    0.145000
 -1.8451E+01 -1.7656E+01 -1.5511E+01
  1.2937E+00  1.0196E+01 -1.6520E+00
  3.5146E+03 -3.4493E+03  2.6865E+02
OH            4898    0.000000   -0.683000
 -1.8198E+01 -1.7919E+01 -1.6873E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4899    1.008000    0.418000
 -1.7264E+01 -1.7908E+01 -1.7019E+01
 -4.8706E+00  7.3803E+00 -4.5478E+01
 -2.3144E+03 -1.7556E+03 -1.9239E+02
HC            4900    1.008000    0.040000
 -1.8076E+01 -1.6715E+01 -1.5108E+01
  5.5877E+00 -5.0009E+00  3.3466E+01
 -2.2514E+03 -8.9071E+02  3.6400E+01
HC            4901    1.008000    0.040000
 -1.7787E+01 -1.8410E+01 -1.5087E+01
 -2.4952E+00  8.7986E+00  1.8560E+00
 -6.6395E+02  6.1091E+02  3.1238E+03
HC            4902    1.008000    0.040000
 -1.9475E+01 -1.7955E+01 -1.5290E+01
 -5.0769E+00  5.9303E+00 -3.2369E+01
  5.8388E+02  1.8416E+03 -3.5682E+02
CT            4903   12.011000    0.145000
 -1.9806E+01  1.8941E+01  1.5731E+01
  2.7016E-01  3.8410E+00 -1.8418E+00
  5.9332E+03  1.4937E+03 -4.1869E+03
OH            4904    0.000000   -0.683000
  2.0443E+01  1.8433E+01  1.4587E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4905    1.008000    0.418000
  2.0405E+01  1.9145E+01  1.3966E+01
  1.8765E+01 -1.2404E+01 -1.6643E+01
 -8.1602E+02 -2.2046E+03 -1.4081E+03
HC            4906    1.008000    0.040000
 -1.8901E+01  1.8365E+01  1.5926E+01
 -5.8712E+00 -9.6030E+00 -1.1467E+01
 -2.4245E+03 -2.7300E+03  3.2984E+03
HC            4907    1.008000    0.040000
  2.0385E+01  1.9126E+01  1.6537E+01
 -1.6481E+01 -1.4657E+01 -1.1447E+01
  2.3244E+03  6.2497E+02  2.2629E+01
HC            4908    1.008000    0.040000
 -1.9279E+01  1.9781E+01  1.5278E+01
 -6.3847E+00  3.7970E+00 -9.9052E+00
 -2.4415E+03  3.4777E+03  2.8879E+03
CT            4909   12.011000    0.145000
 -1.3258E+01  1.9709E+01  6.2451E+00
  2.2450E+00 -6.1966E-01  1.6184E+00
 -3.4468E+03  1.3630E+03 -1.6335E+03
OH            4910    0.000000   -0.683000
 -1.4004E+01  1.8700E+01  6.8878E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4911    1.008000    0.418000
 -1.3734E+01  1.8452E+01  7.7590E+00
 -2.2001E+01  5.6842E+00  9.1148E+00
  2.6132E+03  2.6664E+03 -1.0161E+03
HC            4912    1.008000    0.040000
 -1.3920E+01  1.9899E+01  5.4000E+00
  2.0289E+01  1.9458E+01 -9.0108E+00
  1.0774E+03  1.8952E+03 -7.5465E+01
HC            4913    1.008000    0.040000
 -1.2280E+01  1.9533E+01  5.7983E+00
  9.9948E+00  1.1016E+01  1.3277E+01
 -3.7267E+02 -2.7224E+03  1.7033E+03
HC            4914    1.008000    0.040000
 -1.3237E+01 -2.0188E+01  6.6726E+00
 -1.5078E+01  6.2168E+00 -1.2303E+01
 -5.5883E+02 -1.5875E+03  2.1853E+03
CT            4915   12.011000    0.145000
  6.8120E+00 -1.4882E+01  1.3586E+01
 -7.0109E-01  1.1486E+00 -2.8854E-01
  3.8236E+03  5.9205E+02 -2.7851E+03
OH            4916    0.000000   -0.683000
  6.1555E+00 -1.5550E+01  1.2532E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4917    1.008000    0.418000
  6.0573E+00 -1.6431E+01  1.2857E+01
  6.9705E+00 -4.0022E+00 -8.3267E+00
 -2.5559E+03 -1.4602E+02 -1.6790E+03
HC            4918    1.008000    0.040000
  7.1760E+00 -1.3879E+01  1.3365E+01
 -1.4535E+01  9.9940E+00  1.4801E+01
 -2.1930E+03  5.5310E+02 -4.1973E+02
HC            4919    1.008000    0.040000
  7.7212E+00 -1.5482E+01  1.3634E+01
 -9.4009E+00 -1.3492E+01 -1.0297E+01
 -7.8861E+02 -4.1500E+02  3.9459E+03
HC            4920    1.008000    0.040000
  6.2050E+00 -1.4872E+01  1.4492E+01
  1.2766E+01 -1.5832E+01  9.5561E+00
  2.0583E+03 -8.4711E+02  5.0360E+02
CT            4921   12.011000    0.145000
  1.1215E+01 -1.6946E+01 -1.8272E+01
 -5.1000E+00  4.3436E+00  6.4496E+00
 -1.9572E+03  2.9675E+03  2.1171E+03
OH            4922    0.000000   -0.683000
  1.0330E+01 -1.6509E+01 -1.9279E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4923    1.008000    0.418000
  9.4364E+00 -1.6647E+01 -1.9005E+01
  2.8683E+00 -6.0654E+00  6.6237E+00
  8.5689E+02  1.1361E+03  3.1981E+03
HC            4924    1.008000    0.040000
  1.0851E+01 -1.7861E+01 -1.7805E+01
  1.1762E+01 -9.9057E+00 -6.8930E+00
  2.1716E+03 -1.1943E+03 -1.5938E+03
HC            4925    1.008000    0.040000
  1.1249E+01 -1.6159E+01 -1.7518E+01
 -2.9133E+01  1.3753E+01 -1.3275E+00
  1.1854E+03 -2.5334E+02 -5.0604E+02
HC            4926    1.008000    0.040000
  1.2108E+01 -1.7026E+01 -1.8891E+01
 -7.4706E+00  1.9294E+00  3.3083E+00
  1.7672E+03 -2.3675E+03  3.4618E+03
CT            4927   12.011000    0.145000
  1.6074E+01 -1.7360E+01 -1.3673E+00
  2.8592E+00 -9.8768E-01 -2.3309E+00
  2.9354E+03  7.2668E+02 -8.8308E+02
OH            4928    0.000000   -0.683000
  1.5605E+01 -1.6440E+01 -2.3269E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4929    1.008000    0.418000
  1.5457E+01 -1.5596E+01 -1.9283E+00
  2.3832E+01  5.9290E+00 -2.1610E+00
  5.7237E+02 -1.1805E+03  1.1998E+03
HC            4930    1.008000    0.040000
  1.6799E+01 -1.6755E+01 -8.2152E-01
  6.6831E+00 -8.9239E+00  1.5512E+00
 -1.3265E+02 -2.3915E+03  3.1373E+03
HC            4931    1.008000    0.040000
  1.6610E+01 -1.8083E+01 -1.9820E+00
  1.4190E+01  7.8489E-01  5.1565E+00
 -2.3154E+01 -2.1266E+03  2.5284E+03
HC            4932    1.008000    0.040000
  1.5218E+01 -1.7724E+01 -7.9902E-01
  3.7872E+00  1.2514E+01  8.2308E+00
  1.7545E+03 -3.0511E+02  1.5166E+03
CT            4933   12.011000    0.145000
  1.7283E+01  1.5888E+01 -7.5798E+00
  4.7301E+00 -2.4824E+00 -9.4797E-01
 -3.6339E+03  1.7127E+03  1.0337E+03
OH            4934    0.000000   -0.683000
  1.6802E+01  1.4734E+01 -6.9274E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4935    1.008000    0.418000
  1.5875E+01  1.4690E+01 -7.1041E+00
  2.1052E+00 -1.2668E+01 -9.3354E+00
  2.4077E+02 -5.5572E+02  1.8500E+02
HC            4936    1.008000    0.040000
  1.6437E+01  1.6564E+01 -7.4610E+00
 -2.0802E+01 -3.1615E+01 -4.1254E+00
 -1.3193E+01 -1.0808E+03 -2.5862E+03
HC            4937    1.008000    0.040000
  1.7398E+01  1.5748E+01 -8.6546E+00
 -3.5821E+01  2.6881E+01 -1.1552E+01
 -5.5125E+02  1.7284E+03  2.1959E+03
HC            4938    1.008000    0.040000
  1.8069E+01  1.6419E+01 -7.0439E+00
 -1.9892E+00 -1.6349E+01  2.4294E+01
  1.4237E+03 -3.3239E+03 -5.6278E+02
CT            4939   12.011000    0.145000
  7.0048E+00  3.4580E+00 -4.9373E-01
  9.0894E-01  3.8364E+00  1.1745E+00
  1.6048E+02 -3.2194E+03  1.1766E+02
OH            4940    0.000000   -0.683000
  8.1846E+00  3.4100E+00 -1.2644E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4941    1.008000    0.418000
  8.6104E+00  4.1655E+00 -8.8896E-01
 -1.7253E+01  1.6356E+01 -1.1490E+01
  1.5400E+03 -1.0816E+03 -1.7359E+03
HC            4942    1.008000    0.040000
  6.1097E+00  2.9375E+00 -8.3414E-01
  1.1748E+01 -2.0206E+01  7.2826E+00
  2.2164E+03 -3.0694E+02 -3.4961E+03
HC            4943    1.008000    0.040000
  6.6954E+00  4.4832E+00 -2.9037E-01
  5.2616E+00  8.6587E+00 -1.5017E+01
  1.4105E+03  5.9769E+02 -2.7641E+03
HC            4944    1.008000    0.040000
  7.0483E+00  2.9177E+00  4.5193E-01
 -1.7699E+01 -5.6181E+00 -2.8935E+00
  2.7205E+03  1.1548E+03 -7.0741E+01
CT            4945   12.011000    0.145000
  5.2720E+00  8.6248E-02  1.9918E+01
 -4.8579E+00 -1.4202E+00  1.9141E+00
  4.8952E+03 -5.0241E+02  1.9300E+02
OH            4946    0.000000   -0.683000
  5.2798E+00 -1.0482E+00  1.9081E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4947    1.008000    0.418000
  4.9519E+00 -1.8207E+00  1.9515E+01
  8.8345E+00 -1.0697E+01 -1.1602E+01
 -1.4598E+03  1.8172E+03  9.4333E+02
HC            4948    1.008000    0.040000
  4.3453E+00  6.3984E-01  2.0069E+01
 -1.5794E+01 -1.3650E+01 -1.6372E+01
 -9.9829E+02 -2.1435E+03 -2.7237E+03
HC            4949    1.008000    0.040000
  6.0012E+00  7.1629E-01  1.9409E+01
 -6.0813E+00 -3.6111E+00 -2.5994E+00
 -1.1961E+03  1.7790E+03  6.1738E+01
HC            4950    1.008000    0.040000
  5.7234E+00  8.0017E-02 -1.9990E+01
  9.0690E+00  3.2010E+01 -2.8670E+00
  1.0159E+02 -3.3913E+03 -1.6843E+03
CT            4951   12.011000    0.145000
 -3.1913E+00 -1.6574E+01 -1.1473E+01
  1.9897E+00 -3.1053E+00 -7.7271E+00
  1.2955E+03 -2.4244E+03 -3.3646E+03
OH            4952    0.000000   -0.683000
 -1.8606E+00 -1.6760E+01 -1.1045E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4953    1.008000    0.418000
 -1.8348E+00 -1.6991E+01 -1.0130E+01
  1.9740E+01  7.4602E+00  1.8144E+00
 -5.2019E+02  1.1372E+02 -4.9661E+02
HC            4954    1.008000    0.040000
 -3.2718E+00 -1.6033E+01 -1.2416E+01
 -6.5304E+00  2.1558E+01  6.2045E+00
  7.6522E+02  1.1468E+03  1.1759E+03
HC            4955    1.008000    0.040000
 -3.8705E+00 -1.6059E+01 -1.0793E+01
 -4.2664E-01  3.0677E+00 -1.4682E+01
  1.1253E+03 -1.3822E+02  4.9845E+02
HC            4956    1.008000    0.040000
 -3.5701E+00 -1.7564E+01 -1.1723E+01
  1.9647E+01 -9.4198E+00 -1.0900E+01
 -1.3327E+03  4.3961E+02  1.4105E+03
CT            4957   12.011000    0.145000
 -5.8566E+00  4.9798E+00 -3.0124E+00
  8.7650E-01  9.6409E+00  4.9784E+00
  4.3081E+03  2.3379E+03  2.1502E+03
OH            4958    0.000000   -0.683000
 -5.8240E+00  4.3210E+00 -1.7661E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4959    1.008000    0.418000
 -6.6912E+00  4.5306E+00 -1.4548E+00
 -2.7744E-01 -5.9862E+00  3.4108E+00
  1.1280E+03  1.2249E+02  2.9570E+03
HC            4960    1.008000    0.040000
 -5.8459E+00  6.0694E+00 -2.9870E+00
 -5.5294E+00  1.1068E+01 -2.2408E+01
  5.2143E+02 -8.0571E+02  2.1884E+03
HC            4961    1.008000    0.040000
 -6.5898E+00  4.8382E+00 -3.8064E+00
  1.7322E+00 -1.4004E+01  7.6880E+00
 -3.0630E+03 -4.2613E+03  4.4070E+03
HC            4962    1.008000    0.040000
 -4.9309E+00  4.6915E+00 -3.5104E+00
  1.6805E+01 -5.0005E+00  3.9698E+01
  2.9413E+02  2.8015E+03  1.8279E+03
CT            4963   12.011000    0.145000
  3.3526E-01  4.3303E-01 -1.4762E+01
 -7.7051E+00 -4.1736E+00 -4.4641E+00
 -3.0697E+02 -5.4360E+02  3.6029E+03
OH            4964    0.000000   -0.683000
  9.2165E-01 -8.3441E-01 -1.4568E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4965    1.008000    0.418000
  4.1671E-01 -1.4883E+00 -1.5027E+01
 -8.9960E+00 -2.4124E-01  9.8568E+00
  8.8994E+02  1.3133E+03 -2.1697E+03
HC            4966    1.008000    0.040000
  7.9314E-01  1.1923E+00 -1.4129E+01
  6.9515E+00 -2.1761E+01  7.0510E+00
  1.8788E+03 -2.1433E+03  8.1523E+02
HC            4967    1.008000    0.040000
 -6.6186E-01  4.0760E-01 -1.4323E+01
  6.4396E+00 -1.0151E+01  3.0613E+01
  4.2117E+02 -9.3117E+02 -3.1528E+03
HC            4968    1.008000    0.040000
  3.3131E-01  8.9894E-01 -1.5748E+01
 -1.1530E+01 -3.5237E+00 -4.1568E+00
  3.7059E+02 -4.0993E+03 -1.5410E+03
CT            4969   12.011000    0.145000
 -1.4603E+01 -4.6850E-04 -1.6527E+01
 -2.3569E+00 -4.1301E+00  1.8219E+00
  3.7330E+03  1.1641E+03 -2.5849E+03
OH            4970    0.000000   -0.683000
 -1.3731E+01 -3.0875E-03 -1.5419E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4971    1.008000    0.418000
 -1.4207E+01 -3.7743E-01 -1.4693E+01
 -1.0555E+01 -2.6456E+01 -1.8954E+01
  5.1268E+01  3.5731E+02 -1.3295E+03
HC            4972    1.008000    0.040000
 -1.3954E+01  6.7685E-02 -1.7400E+01
  2.3330E+00  1.3355E+01  6.2766E+00
 -3.2499E+02  6.3805E+02 -2.7489E+02
HC            4973    1.008000    0.040000
 -1.5145E+01  9.4568E-01 -1.6525E+01
 -1.8448E-01 -2.8164E+00 -4.9350E+00
 -2.8818E+03 -1.8524E+03 -2.9965E+02
HC            4974    1.008000    0.040000
 -1.5126E+01 -9.5066E-01 -1.6637E+01
  5.5470E+00 -7.5265E+00 -7.8930E+00
 -3.2301E+03  2.3444E+03  7.0383E+02
CT            4975   12.011000    0.145000
  1.8830E+01  4.0133E+00 -6.6627E+00
  6.5161E+00 -4.5303E+00  2.8399E-01
  7.6315E+02 -2.9766E+03 -1.3177E+03
OH            4976    0.000000   -0.683000
  1.9177E+01  4.4455E+00 -7.9591E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4977    1.008000    0.418000
  1.8583E+01  5.1188E+00 -8.2538E+00
  5.4318E+00  1.8315E+01  2.7157E+01
  1.1586E+03  2.0139E+03  4.0916E+03
HC            4978    1.008000    0.040000
  1.8804E+01  4.8263E+00 -5.9371E+00
  6.9282E+00 -2.0330E+01  1.8818E+01
 -1.6839E+03 -1.0739E+03 -4.5738E+00
HC            4979    1.008000    0.040000
  1.9503E+01  3.2243E+00 -6.3279E+00
  5.2057E+00 -1.7608E+01 -2.5413E+01
  9.2188E+02  1.6721E+03 -1.4443E+02
HC            4980    1.008000    0.040000
  1.7896E+01  3.4598E+00 -6.7584E+00
 -4.6656E-01  1.4508E+00  2.6024E+01
 -1.1942E+03  2.2376E+03  2.3254E+03
CT            4981   12.011000    0.145000
  1.0313E+01 -1.5464E+01  7.2764E-01
  1.4933E+00  7.5629E+00  2.6450E-01
  3.9245E+01  1.9366E+02 -1.2828E+03
OH            4982    0.000000   -0.683000
  9.0427E+00 -1.5202E+01  1.7481E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4983    1.008000    0.418000
  8.3833E+00 -1.5554E+01  7.5271E-01
  9.9015E+00 -8.4836E+00  6.4920E+00
  2.0073E+03 -2.7044E+02  1.9698E+03
HC            4984    1.008000    0.040000
  1.0612E+01 -1.6505E+01  6.0468E-01
  6.2960E+00  7.5503E+00  1.0941E+01
 -2.7052E+02  1.9019E+02 -8.2187E+02
HC            4985    1.008000    0.040000
  1.0435E+01 -1.5253E+01  1.7901E+00
  7.3275E+00  2.0299E+01 -2.7385E+00
 -1.5464E+03  1.5378E+03 -3.9365E+02
HC            4986    1.008000    0.040000
  1.0997E+01 -1.4808E+01  1.8959E-01
  3.9024E+00  9.8800E+00  6.0700E+00
  1.4436E+03 -8.4585E+02  7.2383E+02
CT            4987   12.011000    0.145000
  1.5171E+01 -6.2281E+00  1.7343E+01
  7.4510E-01  2.6656E+00  2.1885E+00
  4.3220E+03 -4.0564E+03 -3.2239E+03
OH            4988    0.000000   -0.683000
  1.5186E+01 -7.1280E+00  1.8429E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4989    1.008000    0.418000
  1.4263E+01 -7.1135E+00  1.8630E+01
 -5.0470E+00 -3.9040E+01 -1.1933E+01
  1.1288E+03 -3.9605E+03 -1.7665E+02
HC            4990    1.008000    0.040000
  1.4543E+01 -5.3383E+00  1.7310E+01
  1.5658E+00  2.9432E+00 -1.2219E+01
  1.8314E+03  2.7761E+02  4.5432E+03
HC            4991    1.008000    0.040000
  1.4858E+01 -6.5603E+00  1.6354E+01
  1.7321E+00  1.0622E+01 -8.6895E-01
 -1.4323E+03 -4.5976E+03  2.0274E+03
HC            4992    1.008000    0.040000
  1.6214E+01 -6.0697E+00  1.7068E+01
  1.6841E+00 -6.4977E+00  1.4995E-01
  1.5635E+02  2.2815E+03  1.2452E+03
CT            4993   12.011000    0.145000
 -9.7080E+00 -1.5219E+01 -1.3596E+00
 -1.5154E+00 -3.1216E+00 -1.2520E+00
  3.6806E+03  3.0023E+03  6.4224E+02
OH            4994    0.000000   -0.683000
 -9.9265E+00 -1.4606E+01 -2.6107E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            4995    1.008000    0.418000
 -9.3971E+00 -1.5098E+01 -3.2200E+00
  6.0872E+00  2.2259E+01 -1.3854E+01
 -2.8788E+02  2.7202E+03 -1.7571E+03
HC            4996    1.008000    0.040000
 -8.6508E+00 -1.5204E+01 -1.0944E+00
  5.0162E+00 -2.0221E+00 -2.5052E+01
  1.0303E+03 -2.0070E+03 -3.7612E+03
HC            4997    1.008000    0.040000
 -1.0050E+01 -1.6253E+01 -1.3832E+00
  1.6051E+00 -4.0312E+00 -1.1928E+01
 -4.5163E+02  6.6916E+02  1.5550E+03
HC            4998    1.008000    0.040000
 -1.0000E+01 -1.4638E+01 -4.8476E-01
 -9.3389E+00 -1.0931E+01  1.4687E+00
 -5.0539E+03 -8.5201E+02 -1.0062E+03
CT            4999   12.011000    0.145000
  1.4877E+01 -1.7273E+01  1.6602E+01
  4.8403E+00 -8.4650E+00 -3.8612E+00
  2.1985E+02 -1.4762E+03  6.1770E+02
OH            5000    0.000000   -0.683000
  1.5431E+01 -1.7523E+01  1.7874E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5001    1.008000    0.418000
  1.5600E+01 -1.8453E+01  1.7872E+01
  1.8794E+01  2.4339E+00 -2.4935E+01
 -2.2854E+03  7.3236E+02 -1.0308E+03
HC            5002    1.008000    0.040000
  1.5491E+01 -1.7687E+01  1.5802E+01
  1.1013E+01 -3.2234E+00 -1.9248E+00
  5.3814E+02  2.8325E+02  2.9934E+02
HC            5003    1.008000    0.040000
  1.4835E+01 -1.6193E+01  1.6460E+01
 -1.0466E+00 -9.2801E+00 -8.7306E+00
 -1.2908E+03 -2.9553E+02 -7.4324E+02
HC            5004    1.008000    0.040000
  1.3877E+01 -1.7706E+01  1.6567E+01
 -1.9814E+00  1.7414E+00  2.8971E+01
  5.0078E+02  1.3344E+03  5.5341E+02
CT            5005   12.011000    0.145000
  1.4678E-01  3.9684E+00  1.0601E+01
  2.1679E+00 -2.1929E+00 -1.1881E-01
 -2.9564E+03  5.1104E+03  2.0218E+03
OH            5006    0.000000   -0.683000
 -5.6700E-01  3.2154E+00  1.1556E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5007    1.008000    0.418000
 -1.0195E+00  3.7832E+00  1.2161E+01
  2.2066E+01  1.0262E+01  7.9611E+00
  2.4061E+03  3.0474E+03 -1.7467E+03
HC            5008    1.008000    0.040000
  1.0696E+00  3.5359E+00  1.0214E+01
  3.7944E+00  6.3159E-01  5.7453E-01
 -1.1776E+03 -1.1310E+03 -1.9346E+02
HC            5009    1.008000    0.040000
  3.7822E-01  4.9071E+00  1.1104E+01
 -8.0682E+00 -1.2561E+01  2.5662E+01
  9.4826E+02 -7.5837E+02  4.0304E+01
HC            5010    1.008000    0.040000
 -5.2694E-01  4.2599E+00  9.7953E+00
  1.2221E+01  5.8035E+00 -5.8779E+00
  8.3667E+02 -7.6414E+02 -9.5028E+02
CT            5011   12.011000    0.145000
  1.9091E+01 -9.9709E+00  9.2231E+00
 -4.6248E+00 -6.3753E+00 -4.8593E+00
  2.2811E+02 -2.3854E+03  3.6513E+03
OH            5012    0.000000   -0.683000
  2.0301E+01 -1.0655E+01  8.9870E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5013    1.008000    0.418000
 -1.9909E+01 -1.0134E+01  9.3695E+00
 -1.4050E+01  9.3072E+00  1.3871E+01
 -2.0104E+03  2.2688E+03 -3.0175E+02
HC            5014    1.008000    0.040000
  1.8351E+01 -1.0702E+01  9.5469E+00
  4.5498E+00 -4.3875E-01  3.4742E+01
 -3.5718E+02  2.0690E+03 -1.4930E+03
HC            5015    1.008000    0.040000
  1.8774E+01 -9.2478E+00  8.4716E+00
  3.3142E+01  1.4064E+01 -3.5915E+00
  2.4100E+03 -1.4350E+03  2.5786E+02
HC            5016    1.008000    0.040000
  1.9209E+01 -9.4245E+00  1.0159E+01
 -6.2453E+00  3.7690E+00 -1.0433E+01
 -2.5771E+02  1.2572E+03 -5.7701E+02
CT            5017   12.011000    0.145000
  1.2188E+01  1.5687E+01 -6.8001E-01
 -1.8381E+00  3.1375E-01 -3.3369E+00
  2.2901E+03  2.1085E+03 -2.0886E+03
OH            5018    0.000000   -0.683000
  1.2870E+01  1.4550E+01 -1.1585E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5019    1.008000    0.418000
  1.2803E+01  1.3846E+01 -5.3092E-01
  2.4933E+00  8.1872E-02  3.6695E-01
 -7.6061E+02  1.1631E+03  1.1932E+03
HC            5020    1.008000    0.040000
  1.2862E+01  1.6135E+01  4.9437E-02
 -1.1520E+01 -2.4390E+01  2.2700E+01
 -2.7659E+03  5.4073E+02  6.2204E+02
HC            5021    1.008000    0.040000
  1.1206E+01  1.5453E+01 -2.6702E-01
  9.6716E-01  9.2877E+00  8.9931E+00
  2.9326E+02  1.2655E+03  2.3429E+02
HC            5022    1.008000    0.040000
  1.2192E+01  1.6121E+01 -1.6798E+00
 -1.0571E+00 -1.6903E+01 -1.1170E+01
 -2.9953E+03  3.7869E+03  2.1284E+03
CT            5023   12.011000    0.145000
 -9.8508E+00 -1.0769E+01  9.6416E+00
  1.4186E+00 -1.5131E+00 -3.2699E-02
 -2.7650E+03  1.9867E+03  3.3567E+03
OH            5024    0.000000   -0.683000
 -8.8436E+00 -9.8285E+00  9.9394E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5025    1.008000    0.418000
 -9.0933E+00 -9.4700E+00  1.0777E+01
  2.4138E+01  1.0632E+01  3.4895E+00
  2.0820E+03 -2.1190E+03  7.9872E+02
HC            5026    1.008000    0.040000
 -9.8506E+00 -1.1326E+01  8.7046E+00
 -4.7813E+00  1.2533E+01 -8.7137E+00
  3.1388E+03  1.2287E+03  2.8774E+01
HC            5027    1.008000    0.040000
 -1.0818E+01 -1.0267E+01  9.6253E+00
  2.9601E+00  1.7527E+00  6.0853E+00
  6.2435E+02  1.6497E+03 -9.0503E+02
HC            5028    1.008000    0.040000
 -1.0043E+01 -1.1391E+01  1.0516E+01
  7.3123E+00  1.4912E+01  1.3486E+01
  2.5414E+03 -1.0471E+03 -6.2844E+02
CT            5029   12.011000    0.145000
  1.9206E+01 -1.0250E+01 -1.3221E+01
 -1.1222E+00 -3.6286E-01 -6.3215E+00
  2.8155E+03  2.7904E+03  1.7383E+03
OH            5030    0.000000   -0.683000
  1.8285E+01 -9.1883E+00 -1.3112E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5031    1.008000    0.418000
  1.8624E+01 -8.3173E+00 -1.3252E+01
  1.5343E+01 -6.9103E+00 -8.4022E+00
  4.0809E+03 -1.7589E+03 -4.8152E+02
HC            5032    1.008000    0.040000
  1.9070E+01 -1.0861E+01 -1.2329E+01
  4.1404E+01 -3.8003E+00 -1.2389E-01
  2.6834E+03 -3.1844E+02 -1.5519E+03
HC            5033    1.008000    0.040000
  2.0140E+01 -9.6933E+00 -1.3141E+01
  8.9965E+00 -1.8206E+01  7.5042E+00
  2.1603E+03 -3.5595E+03  6.7142E+02
HC            5034    1.008000    0.040000
  1.9149E+01 -1.0799E+01 -1.4161E+01
 -3.3886E+00  1.4383E+01 -1.5113E+01
 -2.8912E+02  9.5683E+02  2.4023E+01
CT            5035   12.011000    0.145000
  1.9067E+01  1.8703E+01  6.7656E+00
 -7.9533E-01 -1.1092E+01 -2.8257E-01
  8.0873E+02  6.3247E+02  1.0047E+03
OH            5036    0.000000   -0.683000
  1.9234E+01  1.8666E+01  8.1652E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5037    1.008000    0.418000
  1.8518E+01  1.9063E+01  8.6379E+00
  1.0660E+01  1.4750E+01  4.5112E+00
 -1.1103E+03 -7.5158E+02 -2.1010E+03
HC            5038    1.008000    0.040000
  2.0026E+01  1.8833E+01  6.2647E+00
 -1.2410E+01  7.3945E+00 -1.9379E+01
 -6.0693E+02 -1.1959E+03  3.2600E+02
HC            5039    1.008000    0.040000
  1.8477E+01  1.9524E+01  6.3571E+00
 -2.4396E+01 -2.2935E+01  8.0805E+00
 -4.5562E+01  6.4536E+02  3.1695E+03
HC            5040    1.008000    0.040000
  1.8556E+01  1.7871E+01  6.2800E+00
 -9.8144E+00  3.4090E+00 -1.6793E+01
  4.6444E+02 -4.4411E+02  2.0659E+03
CT            5041   12.011000    0.145000
 -2.0140E+01  1.1501E+01 -1.6236E+01
  3.6492E+00  7.7549E-01  1.0647E+00
 -3.0853E+03  2.9407E+03 -2.3494E+03
OH            5042    0.000000   -0.683000
 -1.9683E+01  1.1055E+01 -1.7493E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5043    1.008000    0.418000
 -1.9959E+01  1.1628E+01 -1.8192E+01
  1.6905E+01 -1.7000E+01 -2.2141E+01
 -7.6710E+02  3.5494E+02  2.5878E+03
HC            5044    1.008000    0.040000
  1.9702E+01  1.1516E+01 -1.6499E+01
  8.5703E+00 -5.5452E-01 -2.0735E+01
 -3.7031E+02 -7.4325E+02  3.4122E+03
HC            5045    1.008000    0.040000
 -1.9964E+01  1.2562E+01 -1.6059E+01
 -2.5915E+01  1.2273E+01 -2.7919E+01
  1.0922E+03 -1.7709E+03 -9.5925E+02
HC            5046    1.008000    0.040000
 -1.9878E+01  1.0932E+01 -1.5344E+01
  7.1396E+00  2.9924E+01  1.9983E+01
 -7.4334E+02  5.6583E+01 -1.7215E+03
CT            5047   12.011000    0.145000
  1.8320E+00 -1.8494E+01 -1.9971E+00
 -3.6925E-01 -3.4151E-01 -1.0121E+00
  1.7530E+03  1.4522E+03 -1.3202E+03
OH            5048    0.000000   -0.683000
  9.2406E-01 -1.7416E+01 -2.0284E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5049    1.008000    0.418000
  1.2477E+00 -1.6616E+01 -2.4148E+00
 -6.0557E+00  7.3128E+00  9.5858E+00
  2.0448E+03 -1.3646E+03 -3.3863E+02
HC            5050    1.008000    0.040000
  1.3001E+00 -1.9391E+01 -1.6795E+00
  2.0468E+01 -8.8951E+00  1.1855E+01
  1.7884E+03  1.5085E+02  1.1967E+03
HC            5051    1.008000    0.040000
  2.5906E+00 -1.8157E+01 -1.2904E+00
 -1.0529E+01  2.0564E+01  7.0248E-01
  1.2328E+02 -2.2871E+03 -1.1310E+01
HC            5052    1.008000    0.040000
  2.3055E+00 -1.8728E+01 -2.9505E+00
  1.4948E+01 -2.3785E+01  1.1366E+01
 -3.0140E+02  3.4145E+02  6.1777E+02
CT            5053   12.011000    0.145000
 -7.1118E+00  1.8373E+01  1.2783E+01
  1.6135E+00 -1.3613E+00  2.0047E+00
 -2.2708E+03  3.2304E+03 -2.8387E+03
OH            5054    0.000000   -0.683000
 -5.9852E+00  1.8475E+01  1.1942E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5055    1.008000    0.418000
 -5.8740E+00  1.9394E+01  1.1753E+01
  1.5818E+01 -4.0330E+00 -1.2536E+01
  8.2603E+02 -7.5429E+02 -1.6597E+03
HC            5056    1.008000    0.040000
 -7.4951E+00  1.7390E+01  1.3055E+01
  5.6615E+00 -4.7729E+00 -4.3884E+00
  3.0911E+03 -1.2197E+03 -1.0183E+03
HC            5057    1.008000    0.040000
 -7.9607E+00  1.8805E+01  1.2253E+01
  5.4513E-02 -4.6308E+00  1.8122E+00
  3.2186E+02 -4.9587E+02 -1.6634E+03
HC            5058    1.008000    0.040000
 -7.2294E+00  1.9022E+01  1.3651E+01
 -1.6301E+01  6.8092E+00 -6.0069E+00
  4.2928E+03 -2.2481E+02 -2.2107E+02
CT            5059   12.011000    0.145000
  1.4712E+01 -2.0050E+01  9.2520E+00
  2.1560E+00 -6.9520E-01 -2.2127E+00
 -9.9406E+01 -4.6240E+02 -4.0358E+02
OH            5060    0.000000   -0.683000
  1.3971E+01 -1.9315E+01  8.3038E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5061    1.008000    0.418000
  1.3930E+01 -1.9689E+01  7.4372E+00
  8.3240E-01  7.7955E+00 -3.4949E+00
  2.3259E+03 -2.3290E+03  1.1035E+03
HC            5062    1.008000    0.040000
  1.5745E+01 -2.0224E+01  8.9509E+00
  4.9483E+00  4.8981E+00  3.8736E+00
  6.9789E+01  1.3483E+03 -3.7877E+02
HC            5063    1.008000    0.040000
  1.4279E+01  1.9872E+01  9.4636E+00
 -1.2376E+01  6.1103E+00  7.7335E-01
 -1.0851E+03  5.7514E+02 -3.2509E+02
HC            5064    1.008000    0.040000
  1.4678E+01 -1.9569E+01  1.0230E+01
 -1.7172E+01 -3.4927E+01  1.5838E+01
  6.8102E+02 -1.1220E+03 -1.4186E+03
CT            5065   12.011000    0.145000
 -1.3716E+01 -1.3271E+00  1.5672E+01
 -1.8877E-01 -1.4195E-02 -8.4921E-02
 -1.7020E+03  3.1843E+02  1.8717E+03
OH            5066    0.000000   -0.683000
 -1.3715E+01  6.3230E-02  1.5438E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5067    1.008000    0.418000
 -1.4381E+01  2.6990E-02  1.4769E+01
 -3.8082E+00 -5.9834E+01  1.6585E+00
  3.1199E+03  3.1694E+03  3.4047E+03
HC            5068    1.008000    0.040000
 -1.4764E+01 -1.4214E+00  1.5956E+01
 -3.7922E+00  3.0859E+01  2.7602E-01
  1.8381E+03 -2.1438E+03  2.1944E+03
HC            5069    1.008000    0.040000
 -1.2950E+01 -1.4066E+00  1.6444E+01
  1.1260E+01 -1.2107E+01 -1.2148E+01
 -8.3918E+02 -4.1839E+03  4.4572E+01
HC            5070    1.008000    0.040000
 -1.3505E+01 -1.9480E+00  1.4802E+01
  1.0875E+01 -1.7195E+00  3.6492E+00
  1.7311E+03  5.0357E+02  3.4566E+02
CT            5071   12.011000    0.145000
 -5.9009E+00  2.1630E+00  2.8242E+00
  2.3618E+00  4.6962E+00 -9.5524E-01
 -3.9578E+03 -6.1716E+03 -6.0907E+03
OH            5072    0.000000   -0.683000
 -7.1538E+00  2.8042E+00  2.9085E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5073    1.008000    0.418000
 -7.1728E+00  3.0684E+00  3.8156E+00
 -2.9297E+00  3.9885E+01 -9.8083E+00
 -1.9500E+03  1.1766E+03 -1.9700E+03
HC            5074    1.008000    0.040000
 -6.1000E+00  1.2202E+00  3.3338E+00
  3.0571E+01 -4.5692E+00 -5.3080E+00
  4.7884E+03  4.6538E+02  2.3537E+03
HC            5075    1.008000    0.040000
 -5.1057E+00  2.7963E+00  3.2175E+00
  1.6346E+00 -2.5639E+00  1.2824E+01
  6.4674E+02 -2.1780E+03 -3.1672E+02
HC            5076    1.008000    0.040000
 -5.9866E+00  1.9098E+00  1.7675E+00
 -2.7014E+01  1.4786E+01 -1.9040E+00
  4.8708E+03  1.1606E+03  1.5952E+02
CT            5077   12.011000    0.145000
 -1.5174E+01  1.3779E+01 -3.5571E+00
 -1.3995E+00 -1.6271E+00  3.3507E-01
  7.4276E+02  8.5829E+02  1.2817E+03
OH            5078    0.000000   -0.683000
 -1.4100E+01  1.2866E+01 -3.5173E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5079    1.008000    0.418000
 -1.3502E+01  1.3150E+01 -2.8429E+00
 -4.8589E+00  8.2792E+00  9.6999E-01
 -9.7794E+02  2.1623E+03 -6.2953E+01
HC            5080    1.008000    0.040000
 -1.5864E+01  1.3853E+01 -2.7167E+00
  4.2205E+01  9.4318E+00  3.9402E+01
  4.3093E+03 -2.8053E+03  2.9485E+02
HC            5081    1.008000    0.040000
 -1.5732E+01  1.3544E+01 -4.4636E+00
  4.4864E+00 -2.5987E+01  2.3383E+00
  1.2937E+03  2.0218E+03 -2.6019E+02
HC            5082    1.008000    0.040000
 -1.4702E+01  1.4759E+01 -3.4881E+00
 -1.1415E+01  2.4461E+00  1.6364E+01
 -1.7352E+03  6.2963E+02 -1.9874E+03
CT            5083   12.011000    0.145000
  1.8987E+01 -1.4824E+01 -5.2323E+00
  3.8674E-01 -5.2792E-01 -1.4802E-01
  2.4121E+03 -1.3434E+03  7.8500E+02
OH            5084    0.000000   -0.683000
  1.8251E+01 -1.5616E+01 -4.3267E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5085    1.008000    0.418000
  1.7524E+01 -1.6158E+01 -4.5903E+00
 -9.7458E+00 -2.7996E+00  2.9061E+01
  2.9761E+03  5.4145E+02 -3.5257E+03
HC            5086    1.008000    0.040000
  1.9799E+01 -1.5318E+01 -5.7652E+00
  7.2160E-01  3.9798E+00 -3.8744E+00
 -3.1973E+03 -2.9533E+03 -2.2918E+03
HC            5087    1.008000    0.040000
  1.9625E+01 -1.4100E+01 -4.7270E+00
 -2.6248E+01  3.3131E+01 -1.0863E+01
 -3.9932E+03  1.2867E+03  5.9421E+02
HC            5088    1.008000    0.040000
  1.8344E+01 -1.4283E+01 -5.9271E+00
  1.3902E+01 -2.3546E+00 -1.4637E+01
  1.4030E+03  2.5093E+02 -3.0216E+02
CT            5089   12.011000    0.145000
  2.0108E+01 -3.7647E+00  1.4269E+01
  2.2484E+00 -2.8268E+00  1.0551E+00
 -1.9278E+02  4.3271E+02 -1.0203E+03
OH            5090    0.000000   -0.683000
  1.9116E+01 -4.6912E+00  1.3886E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5091    1.008000    0.418000
  1.9206E+01 -5.1338E+00  1.3056E+01
  2.5110E+01  2.7856E+00  4.7260E-01
  6.4561E+03  4.1728E+03 -1.4361E+03
HC            5092    1.008000    0.040000
 -2.0135E+01 -3.4067E+00  1.3477E+01
 -8.1141E+00  1.2310E+01 -1.1317E+00
 -2.8498E+02 -6.3196E+02 -1.3859E+02
HC            5093    1.008000    0.040000
 -2.0246E+01 -4.1725E+00  1.5120E+01
 -3.8164E+00 -1.2515E+01  4.5964E-01
  6.8696E+02 -1.7433E+02 -8.0457E+02
HC            5094    1.008000    0.040000
  1.9594E+01 -2.8576E+00  1.4587E+01
  1.3508E+01  1.3912E+01 -2.5041E+01
  1.4052E+03  1.1443E+02 -9.6889E+02
CT            5095   12.011000    0.145000
 -1.6338E+01  3.7210E-01  5.1082E-01
 -3.7160E+00  5.4650E+00  5.3873E+00
  2.4391E+03 -3.8877E+03 -9.4524E+02
OH            5096    0.000000   -0.683000
 -1.7341E+01 -5.8325E-01  7.7470E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5097    1.008000    0.418000
 -1.8112E+01 -4.0508E-02  8.3662E-01
 -8.1018E+00 -1.2481E+01  1.6463E+01
 -1.9152E+03 -3.2741E+03 -1.6094E+02
HC            5098    1.008000    0.040000
 -1.5486E+01 -1.4825E-01  7.1972E-02
  1.0912E+01  7.6666E+00  2.9347E+01
 -7.3559E+02 -3.7729E+02  7.5006E+01
HC            5099    1.008000    0.040000
 -1.5827E+01  8.1799E-01  1.3641E+00
 -2.9564E+00 -9.6340E+00  1.3161E+01
 -2.6620E+03 -1.1742E+03  1.8297E+03
HC            5100    1.008000    0.040000
 -1.6593E+01  1.1702E+00 -1.8642E-01
 -3.3619E+01 -8.8085E+00 -1.6597E+00
 -3.2835E+03 -1.9867E+03  2.7770E+02
CT            5101   12.011000    0.145000
  8.2252E+00 -2.9976E+00  1.4690E+01
  5.7614E-01 -1.3532E+00 -2.8520E+00
 -2.8286E+02 -8.1602E+00  3.2836E+02
OH            5102    0.000000   -0.683000
  7.1199E+00 -2.3124E+00  1.4145E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5103    1.008000    0.418000
  6.6135E+00 -1.9430E+00  1.4852E+01
 -2.6759E+00  3.3806E+00 -3.6363E+00
  9.2185E+01 -1.4149E+00  1.9426E+01
HC            5104    1.008000    0.040000
  8.9929E+00 -2.3464E+00  1.5108E+01
 -9.9266E+00  1.0863E+01 -1.9709E+00
 -8.6105E+02  2.2107E+03 -2.2345E+03
HC            5105    1.008000    0.040000
  8.8808E+00 -3.5566E+00  1.4022E+01
  5.6315E+00  1.7947E+00 -5.8466E-01
 -3.1956E+03 -9.9452E+02 -2.0057E+03
HC            5106    1.008000    0.040000
  7.8920E+00 -3.6156E+00  1.5524E+01
 -1.3765E+01  5.3978E+00 -3.2777E+00
 -5.4226E+02 -5.7675E+02 -8.9513E+02
CT            5107   12.011000    0.145000
 -3.3290E+00 -1.5995E+00  1.8635E+01
 -1.1570E+00 -2.3989E-01 -1.3436E+00
 -2.7622E+03 -3.7960E+03  2.4798E+03
OH            5108    0.000000   -0.683000
 -2.4833E+00 -2.5847E+00  1.8085E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5109    1.008000    0.418000
 -1.8403E+00 -2.1736E+00  1.7528E+01
 -1.9415E+00 -1.3593E+01 -1.2907E+01
 -1.0324E+03 -1.3068E+02 -7.3487E+02
HC            5110    1.008000    0.040000
 -2.9326E+00 -1.0039E+00  1.9457E+01
  1.1829E-01 -8.0327E-01 -1.5479E+00
  2.1359E+03  2.1768E+03 -2.7825E+03
HC            5111    1.008000    0.040000
 -4.0234E+00 -2.2040E+00  1.9218E+01
  5.0537E+00 -9.2348E+00 -3.0610E+00
 -2.3023E+03  3.9638E+02 -1.8657E+03
HC            5112    1.008000    0.040000
 -3.8054E+00 -1.0528E+00  1.7821E+01
  1.0879E+01  8.9716E+00 -2.4852E+00
 -3.0773E+02  1.6207E+03  1.7825E+03
CT            5113   12.011000    0.145000
 -1.6270E+01 -7.9382E+00 -1.9160E+01
  3.3420E+00 -1.4419E+00  1.6130E+00
 -9.3468E+02 -3.1162E+03 -6.8565E+02
OH            5114    0.000000   -0.683000
 -1.5650E+01 -7.9069E+00 -2.0426E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5115    1.008000    0.418000
 -1.6065E+01 -8.4341E+00  1.9808E+01
 -2.4997E+00  2.6329E+01 -2.1007E+01
 -1.1516E+03  1.7760E+03  8.6394E+02
HC            5116    1.008000    0.040000
 -1.7340E+01 -7.9052E+00 -1.9366E+01
 -1.5152E+00  1.2032E+01  2.5321E+01
 -3.4049E+02  2.3504E+03  3.3746E+03
HC            5117    1.008000    0.040000
 -1.5837E+01 -7.1133E+00 -1.8594E+01
  7.2005E+00 -4.5852E+00  3.2930E+00
 -2.6588E+03  9.1960E+02  2.0459E+01
HC            5118    1.008000    0.040000
 -1.6043E+01 -8.8627E+00 -1.8629E+01
  1.4465E+00 -1.6812E+00  2.0148E+00
 -2.5823E+02 -4.0088E+02 -2.2853E+02
CT            5119   12.011000    0.145000
 -3.6568E+00 -1.0456E+01 -3.8114E+00
  3.1576E+00  1.5683E+00 -3.0572E+00
 -2.6901E+02 -2.1586E+02 -1.4632E+03
OH            5120    0.000000   -0.683000
 -3.1005E+00 -1.1749E+01 -3.8929E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5121    1.008000    0.418000
 -3.7431E+00 -1.2436E+01 -3.8000E+00
  1.7847E+01 -1.9947E+01 -1.4110E+01
 -1.2768E+03  2.8396E+03 -8.8486E+02
HC            5122    1.008000    0.040000
 -4.5868E+00 -1.0332E+01 -4.3663E+00
  1.2165E+01  1.5489E+00 -1.8748E+01
  2.3995E+02 -2.3003E+03 -5.2105E+02
HC            5123    1.008000    0.040000
 -3.0302E+00 -9.6694E+00 -4.2314E+00
  3.8197E+00  1.5920E+01  2.2742E+01
  9.3180E+02 -1.1160E+03  1.1793E+03
HC            5124    1.008000    0.040000
 -3.8954E+00 -1.0131E+01 -2.7988E+00
 -7.8468E+00 -1.0161E+01 -1.6261E+00
  1.0606E+03 -1.6145E+03  4.0756E+02
CT            5125   12.011000    0.145000
 -2.0369E+01 -8.0252E+00 -3.7882E+00
 -2.8426E+00  3.9323E+00 -3.5855E+00
 -2.1504E+03  1.9526E+03 -1.4538E+03
OH            5126    0.000000   -0.683000
  1.9773E+01 -9.0810E+00 -4.3355E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5127    1.008000    0.418000
  2.0379E+01 -9.5040E+00 -4.9248E+00
  1.0872E+01 -1.1077E+01  1.8154E+01
 -6.6970E+02 -1.1968E+03  9.9307E+02
HC            5128    1.008000    0.040000
 -1.9487E+01 -8.0848E+00 -3.1514E+00
 -6.6623E+00 -1.3896E+01  5.8823E-01
 -1.8884E+03 -9.2686E+03  1.6557E+03
HC            5129    1.008000    0.040000
  1.9937E+01 -7.2863E+00 -3.2498E+00
 -1.0722E+01  2.5071E+01 -3.8121E+01
 -1.6518E+03 -1.0066E+03 -2.7782E+03
HC            5130    1.008000    0.040000
 -1.9733E+01 -7.4983E+00 -4.4996E+00
  5.0950E+00 -8.1745E-01 -1.4359E-01
 -4.9290E+03  5.3565E+02 -3.5691E+03
CT            5131   12.011000    0.145000
  1.6100E-01  4.1180E+00 -1.7945E+00
  3.3501E+00  8.5060E+00 -1.8796E-01
 -3.6603E+03 -1.9420E+03  1.8653E+03
OH            5132    0.000000   -0.683000
 -8.1861E-01  4.4730E+00 -2.7445E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5133    1.008000    0.418000
 -1.5476E+00  4.7190E+00 -2.1958E+00
  9.0771E+00  6.4876E+00  9.5439E+00
 -9.7204E+02 -9.5191E+02 -1.4883E+03
HC            5134    1.008000    0.040000
  4.7174E-01  4.8968E+00 -1.0981E+00
  2.8413E+00 -1.5939E+00  1.1683E+01
 -8.7930E+02  2.8934E+02 -5.1950E+02
HC            5135    1.008000    0.040000
  1.0634E+00  3.6007E+00 -2.1202E+00
  4.6192E+00  4.5328E+00  9.3075E+00
 -4.3671E+02  1.3273E+03 -1.8844E+03
HC            5136    1.008000    0.040000
 -4.2285E-01  3.3889E+00 -1.2326E+00
 -1.5973E+01  1.3052E+01 -1.3359E+01
  1.5146E+03  1.2838E+02  1.0679E+03
CT            5137   12.011000    0.145000
  1.0504E+01 -1.0307E+00 -1.9102E+01
 -2.8997E+00  4.4844E+00  3.0312E+00
 -2.7951E+03  1.9291E+03 -3.1001E+02
OH            5138    0.000000   -0.683000
  1.1115E+01 -7.6658E-02 -1.9941E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5139    1.008000    0.418000
  1.0744E+01 -4.9474E-02  2.0091E+01
 -2.5450E+01 -9.7424E+00  9.6037E+00
 -3.3819E+03 -2.6083E+03  1.7881E+03
HC            5140    1.008000    0.040000
  1.1099E+01 -1.1970E+00 -1.8204E+01
  4.9393E+00 -6.9164E+00 -4.0141E+00
 -3.3535E+02  1.4540E+02 -2.2932E+02
HC            5141    1.008000    0.040000
  1.0295E+01 -2.0049E+00 -1.9544E+01
 -1.1997E+01  4.9561E+00  6.0792E+00
  1.6000E+03  7.0528E+02 -1.6571E+03
HC            5142    1.008000    0.040000
  9.5016E+00 -7.1678E-01 -1.8810E+01
 -3.9242E+00 -5.7131E+00  1.1071E+01
  2.3664E+02  6.4870E+02  4.5668E+02
CT            5143   12.011000    0.145000
 -1.3186E+01 -9.3449E+00 -7.1630E+00
 -5.6641E+00 -8.3270E+00 -2.4919E+00
 -2.0077E+03 -2.1269E+03 -3.1428E+03
OH            5144    0.000000   -0.683000
 -1.4300E+01 -8.5087E+00 -7.3829E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5145    1.008000    0.418000
 -1.5071E+01 -8.7498E+00 -6.8926E+00
 -1.2013E+01 -1.5152E+01 -2.4369E+01
  2.3207E+03 -2.9879E+03  2.2860E+02
HC            5146    1.008000    0.040000
 -1.2453E+01 -8.9145E+00 -7.8456E+00
 -2.6559E+00  1.3986E+01  1.3684E+01
 -2.8268E+01 -2.7667E+03 -2.5570E+02
HC            5147    1.008000    0.040000
 -1.3482E+01 -1.0361E+01 -7.4250E+00
 -1.2704E+01 -2.4863E+00 -1.8461E+01
  7.5738E+02  6.1318E+01 -1.0372E+03
HC            5148    1.008000    0.040000
 -1.2727E+01 -9.3916E+00 -6.1753E+00
 -1.8071E+01 -5.8146E+00  3.5879E+00
 -3.6348E+03  3.3913E+03  1.5113E+03
CT            5149   12.011000    0.145000
  3.8254E+00  3.6925E+00  4.6928E+00
 -2.0241E+00 -3.5886E+00 -2.8318E+00
  7.7836E+02  3.8032E+03  4.1645E+03
OH            5150    0.000000   -0.683000
  3.0082E+00  4.6553E+00  4.0656E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5151    1.008000    0.418000
  2.2473E+00  4.6830E+00  4.6253E+00
  4.0690E+00 -2.6813E+01  8.2963E+00
  1.3816E+03 -8.6672E+02  7.0956E+02
HC            5152    1.008000    0.040000
  3.2644E+00  2.8140E+00  5.0115E+00
 -9.4712E+00 -3.5960E+00 -1.5299E+01
  8.1975E+02 -2.2178E+02 -4.3734E+02
HC            5153    1.008000    0.040000
  4.0455E+00  4.3948E+00  5.4968E+00
  9.6525E+00  2.8213E+00 -1.1317E+01
  2.1858E+03 -3.6159E+03  2.7271E+03
HC            5154    1.008000    0.040000
  4.7803E+00  3.4906E+00  4.2076E+00
  4.8377E-01 -5.3757E+00  2.7641E+00
 -5.5206E+02 -1.2293E+03 -1.1289E+02
CT            5155   12.011000    0.145000
 -1.1357E+01  1.3014E+00  1.3378E+01
  7.0358E-01  2.7494E-01  1.6520E-01
 -3.8659E+03  3.7577E+03  2.2678E+03
OH            5156    0.000000   -0.683000
 -1.1360E+01  2.0314E+00  1.2171E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5157    1.008000    0.418000
 -1.0977E+01  1.4852E+00  1.1502E+01
  1.8934E+00 -1.0416E-01  1.1626E+00
  2.4606E+01 -1.0368E+03  8.6648E+02
HC            5158    1.008000    0.040000
 -1.1787E+01  2.0788E+00  1.4010E+01
  1.5186E+01  8.2169E+00  6.6726E-01
  1.8535E+03 -1.2891E+03  3.2837E+03
HC            5159    1.008000    0.040000
 -1.0307E+01  1.1004E+00  1.3589E+01
  1.7540E+00  2.3701E-01 -4.9649E+00
 -1.5635E+03 -3.4462E+03  2.2349E+03
HC            5160    1.008000    0.040000
 -1.2088E+01  4.9477E-01  1.3316E+01
  1.5762E+00 -2.0067E-01 -4.2761E+00
  2.7954E+03 -2.4651E+03  2.6076E+02
CT            5161   12.011000    0.145000
 -6.1535E-01 -8.7075E+00  5.6318E+00
 -3.6948E-01 -5.4080E+00  4.3537E-01
  3.7871E+03  4.5550E+03  8.5967E+03
OH            5162    0.000000   -0.683000
  7.1005E-01 -8.8301E+00  5.1666E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5163    1.008000    0.418000
  8.8231E-01 -9.7451E+00  5.0052E+00
  1.5660E+01 -5.9151E+00  3.9068E+01
 -5.7637E+02  1.6858E+03  8.2731E+02
HC            5164    1.008000    0.040000
 -1.6028E+00 -8.9883E+00  5.2654E+00
 -1.2152E+01  6.8328E+00  2.0885E+01
  4.4364E+03 -2.9865E+03 -3.6428E+03
HC            5165    1.008000    0.040000
 -7.8444E-01 -7.6448E+00  5.8056E+00
 -2.9760E+00 -5.3524E+00 -2.3564E+00
  5.3345E+02  6.3030E+02 -6.1813E+02
HC            5166    1.008000    0.040000
 -5.2184E-01 -9.0011E+00  6.6773E+00
  8.4106E-01  2.3514E+01  9.3260E+00
 -2.0618E+03 -1.7566E+03 -8.7672E+02
CT            5167   12.011000    0.145000
  7.3640E+00 -1.7836E+01 -1.9044E+01
  7.0982E+00  1.9766E+00 -6.5582E+00
 -1.2696E+03  1.3395E+03  1.7511E+02
OH            5168    0.000000   -0.683000
  7.7246E+00 -1.6696E+01 -1.8295E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5169    1.008000    0.418000
  7.2923E+00 -1.6631E+01 -1.7458E+01
  2.0133E+01  9.9725E+00  1.0345E+01
  8.3368E+02 -7.1974E+02 -2.1778E+02
HC            5170    1.008000    0.040000
  7.8026E+00 -1.7970E+01 -2.0033E+01
  7.7966E+00 -3.8128E+01 -2.4364E+00
 -1.3436E+03  2.5182E+03  1.1878E+03
HC            5171    1.008000    0.040000
  6.2741E+00 -1.7818E+01 -1.9043E+01
  5.0639E+00 -2.4967E+01  2.5627E+01
  1.4494E+03 -2.0182E+03 -1.1972E+03
HC            5172    1.008000    0.040000
  7.6429E+00 -1.8790E+01 -1.8598E+01
 -3.0922E+00  8.8327E+00  1.5984E+01
 -9.2756E+02  1.4240E+03  2.4611E+03
CT            5173   12.011000    0.145000
  3.3846E+00  1.5570E+01 -3.7912E+00
 -3.6244E+00 -1.2257E-01 -2.6781E+00
  2.2005E+02  6.2901E+02  3.9450E+03
OH            5174    0.000000   -0.683000
  3.2136E+00  1.4203E+01 -3.4896E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5175    1.008000    0.418000
  2.6664E+00  1.4161E+01 -2.7203E+00
  2.0617E+01  6.8157E+00  1.5980E+01
  7.4712E+02  1.6290E+02 -3.5794E+02
HC            5176    1.008000    0.040000
  4.2368E+00  1.5983E+01 -3.2519E+00
 -1.3874E+01 -2.8453E+00  1.6499E+01
  2.6949E+02 -1.1732E+03 -8.2082E+01
HC            5177    1.008000    0.040000
  2.6053E+00  1.6138E+01 -3.2833E+00
  3.6455E+00  7.2201E+00  4.9395E-01
 -1.1904E+03 -2.0532E+01 -1.8253E+03
HC            5178    1.008000    0.040000
  3.4899E+00  1.5877E+01 -4.8317E+00
  6.0702E+00  2.0665E+01  3.8878E+00
 -9.1593E+02 -1.1174E+03  5.6940E+02
CT            5179   12.011000    0.145000
  1.4141E+01  7.8095E+00  3.6914E+00
 -5.2885E+00 -5.9549E+00 -1.2049E-01
 -1.8036E+03 -4.5209E+02  4.8177E+03
OH            5180    0.000000   -0.683000
  1.3099E+01  8.7480E+00  3.5390E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5181    1.008000    0.418000
  1.2926E+01  9.0746E+00  4.4087E+00
  1.6657E+01 -1.1074E+01  8.0085E+00
  1.9417E+03  2.9164E+03 -1.3277E+03
HC            5182    1.008000    0.040000
  1.5047E+01  8.3121E+00  4.0298E+00
  6.0554E+00 -2.0620E+00 -3.2708E+01
  7.1835E+02  2.6785E+02 -4.1959E+03
HC            5183    1.008000    0.040000
  1.4279E+01  7.1136E+00  2.8639E+00
  1.5510E+01 -1.4517E+01  9.8248E+00
  2.5334E+03  2.5293E+03 -6.4685E+02
HC            5184    1.008000    0.040000
  1.4012E+01  7.0867E+00  4.4970E+00
 -1.4990E+01 -3.3650E+00  7.7973E-01
 -3.4738E+03  6.7115E+02  5.2386E+02
CT            5185   12.011000    0.145000
 -1.6676E+01 -6.4793E+00 -1.9355E+00
  4.2182E+00  3.1189E+00 -3.8427E+00
 -5.7750E+02  4.0139E+03  1.7491E+03
OH            5186    0.000000   -0.683000
 -1.7733E+01 -6.1302E+00 -2.8012E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5187    1.008000    0.418000
 -1.8482E+01 -6.1184E+00 -2.2241E+00
 -5.2095E+00 -1.4935E+01 -5.9538E+00
 -6.0272E+01 -1.7881E+01 -5.5116E+02
HC            5188    1.008000    0.040000
 -1.5960E+01 -7.2685E+00 -2.1619E+00
  1.1061E+01  2.9303E+00  1.6457E+01
 -2.2392E+03 -6.3233E+02 -7.3423E+02
HC            5189    1.008000    0.040000
 -1.7131E+01 -6.6855E+00 -9.6667E-01
  1.8273E+01 -2.0904E+01 -1.5518E+00
  2.3330E+03 -1.6203E+03  3.5176E+02
HC            5190    1.008000    0.040000
 -1.6071E+01 -5.5786E+00 -1.8336E+00
  7.4738E+00  3.1647E-01  2.1172E+00
  2.6416E+02 -6.2273E+01  1.6743E+03
CT            5191   12.011000    0.145000
 -1.7259E+01 -1.6353E+01  5.6094E+00
  6.4786E-01  4.0941E-01  7.8930E-02
 -4.0099E+03 -1.0725E+02  2.2503E+03
OH            5192    0.000000   -0.683000
 -1.7776E+01 -1.5368E+01  4.7431E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5193    1.008000    0.418000
 -1.7293E+01 -1.5498E+01  3.9411E+00
  1.5817E+01  1.3283E+01  6.7905E+00
 -1.5302E+03  1.6994E+03 -5.6018E+02
HC            5194    1.008000    0.040000
 -1.6181E+01 -1.6199E+01  5.5470E+00
  2.7757E+00 -3.2941E+00  2.0615E+01
  4.6306E+01 -3.2024E+03  2.5808E+03
HC            5195    1.008000    0.040000
 -1.7576E+01 -1.7374E+01  5.3988E+00
  4.2628E+01 -1.3814E+01 -3.7076E+00
  3.3448E+03  6.1536E+02 -1.6584E+03
HC            5196    1.008000    0.040000
 -1.7696E+01 -1.6144E+01  6.5857E+00
  9.3125E+00 -6.7719E+00  5.6610E+00
  3.2271E+03  7.8601E+02  1.5561E+03
CT            5197   12.011000    0.145000
  1.1025E+01 -1.3208E+01  6.4474E+00
  7.7203E+00 -1.9597E-01  6.2652E-01
  3.5886E+03 -9.5936E+02 -2.7516E+02
OH            5198    0.000000   -0.683000
  1.1135E+01 -1.3036E+01  5.0523E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5199    1.008000    0.418000
  1.2055E+01 -1.2858E+01  4.9302E+00
 -1.5241E+00  1.3004E+01  5.7526E+00
 -4.3198E+02  1.7964E+02 -1.1592E+03
HC            5200    1.008000    0.040000
  1.1253E+01 -1.2207E+01  6.8122E+00
 -5.0327E-01 -6.6195E+00  2.5373E+01
 -4.2856E+02 -1.6229E+03  3.7884E+03
HC            5201    1.008000    0.040000
  1.1774E+01 -1.3968E+01  6.6732E+00
  5.1868E+00 -1.3964E+01 -3.1788E+01
  1.8224E+02  1.9536E+03  7.0232E+02
HC            5202    1.008000    0.040000
  1.0103E+01 -1.3619E+01  6.8584E+00
  4.2501E+00 -1.0319E+01 -1.6307E+01
 -1.2837E+03  1.9701E+03 -2.3380E+03
CT            5203   12.011000    0.145000
 -7.0183E+00 -1.2878E+01  1.2754E+01
 -5.9283E+00  1.7744E+00  7.8312E-01
 -8.3715E+02 -5.4870E+02  4.6412E+03
OH            5204    0.000000   -0.683000
 -7.4313E+00 -1.4219E+01  1.2616E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5205    1.008000    0.418000
 -6.6182E+00 -1.4691E+01  1.2522E+01
 -1.5159E+01 -2.7746E+01 -2.4605E+00
 -2.4354E+03 -2.7978E+03 -8.8481E+02
HC            5206    1.008000    0.040000
 -6.5682E+00 -1.2923E+01  1.3746E+01
 -2.5042E+01 -2.3388E+01  9.3968E+00
  1.7762E+02  1.1931E+03 -9.5537E+02
HC            5207    1.008000    0.040000
 -6.2975E+00 -1.2566E+01  1.1998E+01
 -1.9742E+01  5.6695E+00 -1.1245E+01
 -1.3232E+03 -1.2452E+02 -5.1104E+02
HC            5208    1.008000    0.040000
 -7.8627E+00 -1.2191E+01  1.2815E+01
 -1.7061E+01 -9.5906E+00 -1.6480E+01
  2.1639E+02 -1.5585E+02 -1.5659E+03
CT            5209   12.011000    0.145000
  1.1532E+00  1.4736E+01 -6.6688E+00
  1.0193E+00 -2.9778E+00 -1.0986E+00
 -1.7183E+03 -4.5049E+02 -2.8324E+02
OH            5210    0.000000   -0.683000
  1.1631E+00  1.5230E+01 -7.9893E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5211    1.008000    0.418000
  3.9920E-01  1.4907E+01 -8.4421E+00
 -1.1332E+00 -5.7644E+00  5.8727E+00
 -2.1951E+03  6.5474E+02  3.3008E+03
HC            5212    1.008000    0.040000
  1.1115E+00  1.5628E+01 -6.0438E+00
  1.2215E+01  2.2653E+00 -7.5244E+00
  2.5500E+03 -1.0427E+03  1.3475E+03
HC            5213    1.008000    0.040000
  2.0245E+00  1.4133E+01 -6.4135E+00
  2.0298E+01  3.5688E+01  3.7618E+01
 -1.5784E+03  3.0890E+03  8.8016E+02
HC            5214    1.008000    0.040000
  2.3712E-01  1.4214E+01 -6.3918E+00
  2.8821E+00  3.0173E+00  1.7779E+01
  3.6250E+02 -5.9423E+02 -1.2071E+03
CT            5215   12.011000    0.145000
 -1.6280E+00  4.6758E+00 -1.8207E+01
  4.8573E-01  2.7376E+00 -6.2616E+00
 -1.9404E+03 -4.4640E+03  6.1152E+03
OH            5216    0.000000   -0.683000
 -8.1204E-01  3.5979E+00 -1.8608E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5217    1.008000    0.418000
 -1.6623E-01  3.3161E+00 -1.7978E+01
  2.7851E+01  2.2520E+01 -1.6038E+01
 -3.3810E+03  4.6331E+03  2.7344E+03
HC            5218    1.008000    0.040000
 -1.1654E+00  5.5123E+00 -1.7683E+01
 -4.8974E-01  1.3549E+01 -2.1965E+01
  1.5322E+03  8.1739E+01 -2.1110E+03
HC            5219    1.008000    0.040000
 -2.1770E+00  4.1672E+00 -1.7415E+01
 -3.9135E+00  9.9215E+00 -4.6060E+00
 -2.1745E+03  1.3854E+03  2.4344E+02
HC            5220    1.008000    0.040000
 -2.3619E+00  5.0333E+00 -1.8930E+01
  4.8785E+00  1.5129E+01 -4.8352E+00
  1.0512E+03  3.7689E+02 -1.7333E+02
CT            5221   12.011000    0.145000
  1.5922E+01  4.0119E+00 -3.6714E+00
  2.2048E+00  3.0045E+00  1.4209E+00
 -5.5257E+02  3.5436E+03  1.5061E+03
OH            5222    0.000000   -0.683000
  1.5938E+01  4.6005E+00 -4.9526E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5223    1.008000    0.418000
  1.6501E+01  4.1284E+00 -5.5469E+00
  1.4929E+01  1.1453E+01  4.4156E+00
 -3.0598E+01 -2.3331E+03  2.6042E+03
HC            5224    1.008000    0.040000
  1.5431E+01  3.0400E+00 -3.6195E+00
  6.8119E+00  4.1312E-02 -8.1560E+00
  3.1049E+03 -1.3814E+03 -1.6642E+03
HC            5225    1.008000    0.040000
  1.5296E+01  4.5582E+00 -2.9653E+00
 -4.4548E+00  9.5171E+00 -9.2321E+00
 -9.8518E+02  2.0585E+03 -2.1418E+03
HC            5226    1.008000    0.040000
  1.6864E+01  4.1862E+00 -3.1515E+00
 -3.7947E+00  3.4330E+01  3.7539E+00
  1.3026E+02 -3.4004E+03 -1.9415E+03
CT            5227   12.011000    0.145000
  4.9556E-02 -1.3421E+01  1.6336E+01
 -1.2619E+00 -4.3853E+00 -7.3535E+00
 -7.5916E+02  1.2010E+03  3.1325E+03
OH            5228    0.000000   -0.683000
 -9.3733E-02 -1.4610E+01  1.7080E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5229    1.008000    0.418000
  1.9806E-01 -1.5245E+01  1.6444E+01
 -1.6917E+01 -1.7995E+00 -6.4888E+00
 -1.0782E+02 -7.0382E+02  1.2163E+03
HC            5230    1.008000    0.040000
 -5.3457E-01 -1.3307E+01  1.5422E+01
  1.6440E+01 -6.5404E+00 -1.9451E+01
 -7.1760E+02 -3.0850E+03  8.7568E+02
HC            5231    1.008000    0.040000
  1.0792E+00 -1.3256E+01  1.6018E+01
  5.5390E+00 -2.5819E+01  1.7360E+00
 -2.2243E+01 -1.1291E+03  1.1993E+03
HC            5232    1.008000    0.040000
 -2.6246E-01 -1.2582E+01  1.6958E+01
  3.2213E+00 -2.0511E+00 -8.2072E+00
  7.7111E+02  1.0868E+02  6.4731E+02
CT            5233   12.011000    0.145000
  3.2697E+00 -1.9979E+01 -1.9709E+01
 -3.8012E+00  8.6613E-02  7.6817E-01
 -3.5936E+02 -2.0310E+03  4.4543E+03
OH            5234    0.000000   -0.683000
  3.1311E+00  1.9635E+01 -2.0269E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5235    1.008000    0.418000
  3.8197E+00  1.9738E+01  1.9992E+01
 -6.6861E+00  5.0072E+01 -3.1344E+00
 -9.3963E+02 -1.1367E+03  3.2662E+03
HC            5236    1.008000    0.040000
  3.0967E+00 -1.9253E+01  2.0397E+01
  3.1991E+00 -7.9974E+00 -8.4034E+00
  1.1950E+03  1.0842E+03  1.5815E+03
HC            5237    1.008000    0.040000
  4.2764E+00 -2.0005E+01 -1.9291E+01
 -5.6072E+00 -8.4818E-01  5.1222E+00
  9.5761E+02  3.3529E+03 -2.0890E+03
HC            5238    1.008000    0.040000
  2.6882E+00 -1.9877E+01 -1.8792E+01
 -8.6917E+00 -3.3885E+01  2.7479E+00
 -2.0113E+03 -8.1088E+00 -2.2296E+03
CT            5239   12.011000    0.145000
  1.0690E+01 -5.5801E+00 -1.1567E+01
  2.1133E+00  1.6270E-01 -4.6856E+00
 -5.6125E+02  2.0313E+02  1.9491E+03
OH            5240    0.000000   -0.683000
  1.0588E+01 -4.1738E+00 -1.1558E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5241    1.008000    0.418000
  9.9700E+00 -3.8635E+00 -1.0914E+01
 -3.6521E+00  3.8170E+00 -5.2542E+00
  3.6485E+02 -3.8662E+03  1.9055E+03
HC            5242    1.008000    0.040000
  1.0708E+01 -6.0392E+00 -1.2555E+01
 -3.3956E+00  4.0695E+00 -6.6517E+00
  1.3461E+03  1.9010E+03 -6.2810E+02
HC            5243    1.008000    0.040000
  9.8517E+00 -6.1067E+00 -1.1110E+01
 -5.8038E+00  6.3648E+00 -1.1728E+01
 -7.4346E+02  2.0205E+03  9.4929E+02
HC            5244    1.008000    0.040000
  1.1570E+01 -5.8853E+00 -1.1001E+01
 -7.4579E+00 -1.9507E+01  4.9548E-01
 -4.0567E+02 -6.9265E+02 -4.6558E+02
CT            5245   12.011000    0.145000
 -4.0571E+00 -1.9352E+01 -1.9852E+01
 -2.1806E+00 -1.4021E+00 -3.9285E+00
  1.3752E+03 -4.0274E+03 -2.7502E+02
OH            5246    0.000000   -0.683000
 -5.1318E+00 -1.9835E+01 -1.9077E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5247    1.008000    0.418000
 -5.1112E+00 -1.9228E+01 -1.8354E+01
  3.8603E+00 -8.0173E+00  6.7966E+00
  1.5974E+02 -1.1458E+03  8.6381E+02
HC            5248    1.008000    0.040000
 -3.4714E+00 -1.8726E+01 -1.9179E+01
 -3.0360E+00 -1.3520E+00 -3.2287E+00
  1.4634E+03  8.5256E+02 -2.3485E+03
HC            5249    1.008000    0.040000
 -4.2502E+00 -1.8818E+01  2.0118E+01
  2.6704E+01  2.1670E+01  1.8244E+00
  1.6374E+00 -9.4923E+00  1.6524E+03
HC            5250    1.008000    0.040000
 -3.5404E+00 -2.0298E+01 -2.0015E+01
  8.5506E+00  5.7765E+00 -1.3104E+01
  2.5991E+03  1.4699E+03 -2.4153E+03
CT            5251   12.011000    0.145000
  7.8445E+00 -8.5220E+00 -3.4291E+00
  2.5505E+00 -4.6457E+00  1.6911E+00
 -4.1872E+03 -3.0421E+03 -1.2734E+03
OH            5252    0.000000   -0.683000
  7.2598E+00 -8.3726E+00 -2.1548E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5253    1.008000    0.418000
  7.8276E+00 -7.8000E+00 -1.6621E+00
 -1.0047E+01 -8.7556E+00  2.3212E+01
 -8.3543E+02 -1.1691E+03  1.2234E+03
HC            5254    1.008000    0.040000
  8.4286E+00 -9.4363E+00 -3.5344E+00
  2.3214E+01  6.5159E+00  1.2951E+01
  2.1107E+03  1.5681E+03  1.1674E+03
HC            5255    1.008000    0.040000
  8.4132E+00 -7.6211E+00 -3.6594E+00
  8.4064E+00 -1.0709E+01 -8.3089E+00
  3.6710E+02 -1.2483E+03 -1.9195E+03
HC            5256    1.008000    0.040000
  6.9880E+00 -8.6594E+00 -4.0891E+00
  4.0760E+00 -2.4921E+00 -7.5632E-01
  4.8809E+02  1.6165E+03 -1.6010E+03
CT            5257   12.011000    0.145000
  2.1482E+00 -1.9490E+01 -1.0311E+01
  5.2947E-01 -2.6417E-01 -3.5779E+00
 -2.5589E+03 -1.9205E+03 -3.6511E+03
OH            5258    0.000000   -0.683000
  1.4597E+00 -1.8274E+01 -1.0499E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5259    1.008000    0.418000
  9.9396E-01 -1.8148E+01 -9.6864E+00
 -7.2122E+00  1.2436E+00 -4.2390E+00
 -1.5526E+03  3.6652E+03 -1.4835E+03
HC            5260    1.008000    0.040000
  1.4645E+00 -2.0327E+01 -1.0172E+01
 -6.0673E+00  8.9154E+00  2.7013E+01
 -9.4506E+02  1.6834E+03  2.1736E+03
HC            5261    1.008000    0.040000
  2.8314E+00 -1.9532E+01 -9.4626E+00
 -5.1905E+00 -1.9615E+01  5.6381E-01
 -1.0643E+03  7.7322E+02 -1.4279E+02
HC            5262    1.008000    0.040000
  2.6840E+00 -1.9800E+01 -1.1208E+01
  3.3691E-01  8.5351E+00 -6.8288E+00
  5.5144E+02  1.3178E+03 -3.1191E+02
CT            5263   12.011000    0.145000
 -2.0066E+01 -1.1946E+01  1.2756E+01
  2.8077E-01 -8.2772E-02  2.7768E+00
  1.4068E+03  1.5716E+02  3.4775E+03
OH            5264    0.000000   -0.683000
 -1.9670E+01 -1.3296E+01  1.2673E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5265    1.008000    0.418000
 -2.0274E+01 -1.3639E+01  1.3314E+01
 -1.4968E+01  2.4025E+01  6.3964E-03
  1.6271E+03 -5.3308E+02 -2.5365E+02
HC            5266    1.008000    0.040000
 -1.9934E+01 -1.1619E+01  1.3788E+01
  2.7579E-01  1.5692E+00  2.2574E+00
  2.4457E+02 -1.0151E+03  5.8878E+02
HC            5267    1.008000    0.040000
  1.9766E+01 -1.1759E+01  1.2643E+01
 -6.8201E-02 -4.4372E+00 -1.4326E+00
 -4.5244E+01 -1.5972E+03 -8.4525E+02
HC            5268    1.008000    0.040000
 -1.9604E+01 -1.1113E+01  1.2226E+01
 -1.8942E+01  7.0195E+00 -3.6981E+00
  1.8852E+03 -3.5755E+03 -2.5288E+03
CT            5269   12.011000    0.145000
  1.4280E+00 -4.3071E+00  1.0801E+01
 -9.7392E+00 -1.5861E+00 -3.4502E-01
 -4.6100E+02  7.2920E+02  3.4426E+02
OH            5270    0.000000   -0.683000
  1.2386E+00 -3.2916E+00  1.1761E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5271    1.008000    0.418000
  1.2131E+00 -3.6710E+00  1.2626E+01
 -2.9398E+01 -6.4442E+00 -2.6363E+00
  2.0983E+03  1.8512E+03 -5.4228E+02
HC            5272    1.008000    0.040000
  2.4456E+00 -4.6737E+00  1.0667E+01
 -1.0925E+01 -6.5009E+00  3.7520E+00
  7.1578E+02  1.3564E+03  2.5521E+03
HC            5273    1.008000    0.040000
  1.1865E+00 -3.9776E+00  9.7909E+00
  1.6746E+00  1.1666E+01  9.4534E-01
 -1.2280E+03  1.5331E+03  1.0802E+03
HC            5274    1.008000    0.040000
  8.4536E-01 -5.2107E+00  1.0981E+01
 -1.0549E+01 -4.6479E-01  2.7369E+00
 -8.7247E+02  8.5645E+02  1.3551E+03
CT            5275   12.011000    0.145000
  1.3576E+01 -3.1558E+00 -1.0752E+01
 -5.7977E+00 -1.0719E+00 -1.7647E+00
 -7.3090E+01 -1.4703E+03  1.8770E+03
OH            5276    0.000000   -0.683000
  1.3120E+01 -2.2257E+00 -9.7955E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5277    1.008000    0.418000
  1.3289E+01 -1.4325E+00 -1.0280E+01
  1.0383E+01  3.9011E+00  9.5754E+00
 -1.1466E+03  2.3424E+03  3.6927E+03
HC            5278    1.008000    0.040000
  1.4664E+01 -3.1472E+00 -1.0819E+01
 -5.9730E+00 -1.2624E+01 -8.8741E+00
 -1.8456E+02 -2.5094E+02 -2.4300E+02
HC            5279    1.008000    0.040000
  1.3161E+01 -2.8268E+00 -1.1705E+01
 -5.9611E+00  1.2650E+01  2.8258E+00
 -4.3472E+02 -2.2755E+03 -3.9957E+01
HC            5280    1.008000    0.040000
  1.3274E+01 -4.1487E+00 -1.0418E+01
  9.3882E+00 -1.0682E+01 -1.5130E+01
  2.6970E+02 -6.3702E+02 -2.1866E+03
CT            5281   12.011000    0.145000
  5.0759E+00  8.9772E+00 -1.6999E+01
 -1.1305E+00  2.5703E+00  3.7822E+00
 -3.7197E+03  1.9201E+03 -3.9874E+02
OH            5282    0.000000   -0.683000
  4.3838E+00  7.8727E+00 -1.6461E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5283    1.008000    0.418000
  5.0989E+00  7.2657E+00 -1.6346E+01
 -6.1499E+00 -7.3006E+00  5.0083E-01
 -2.7373E+03 -3.1843E+03  5.0367E+02
HC            5284    1.008000    0.040000
  5.9471E+00  9.2999E+00 -1.6429E+01
  3.2534E+01 -2.0618E+01 -2.9648E+01
 -6.5867E+02 -1.9309E+03 -2.4590E+03
HC            5285    1.008000    0.040000
  4.3532E+00  9.7781E+00 -1.7155E+01
 -1.4845E+01 -1.1455E+01 -8.0400E+00
  2.1294E+02 -1.0473E+02 -4.8119E+02
HC            5286    1.008000    0.040000
  5.3854E+00  8.5813E+00 -1.7966E+01
  1.1264E+01 -1.5912E+01  1.4680E+01
  2.4502E+03  1.7521E+03  8.0380E+02
CT            5287   12.011000    0.145000
 -1.4168E+01 -8.7274E+00  3.4221E+00
  1.4973E-01 -5.3284E+00 -3.6674E+00
 -3.6090E+02 -4.5713E+03 -3.0786E+03
OH            5288    0.000000   -0.683000
 -1.5108E+01 -8.1447E+00  2.5484E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5289    1.008000    0.418000
 -1.5950E+01 -8.3326E+00  2.9354E+00
 -4.0265E+00  4.5022E+00 -6.3684E+00
 -8.6713E+02  1.1800E+02 -1.8855E+03
HC            5290    1.008000    0.040000
 -1.4459E+01 -9.7737E+00  3.5158E+00
 -4.3392E+00 -3.6603E+00  1.5475E+00
 -1.2053E+00 -3.4141E+02 -2.3252E+02
HC            5291    1.008000    0.040000
 -1.4021E+01 -8.4495E+00  4.4658E+00
  3.6992E+01  3.1850E+00 -9.7083E+00
 -2.3052E+02  3.5374E+03 -2.5768E+03
HC            5292    1.008000    0.040000
 -1.3212E+01 -8.7156E+00  2.8984E+00
  1.0081E+01  6.8766E+00  1.3687E+01
  1.3884E+03  9.3329E+02  2.8278E+03
CT            5293   12.011000    0.145000
 -1.3740E+01 -1.6157E+01 -8.1881E+00
  4.2822E-01 -3.1127E+00  5.0284E+00
 -1.1404E+03 -3.5502E+03  5.9420E+03
OH            5294    0.000000   -0.683000
 -1.3836E+01 -1.4962E+01 -7.4468E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5295    1.008000    0.418000
 -1.3211E+01 -1.4363E+01 -7.8276E+00
  1.4621E+01 -2.9512E+00  1.7916E+01
  1.3731E+02 -5.1644E+02  6.8974E+02
HC            5296    1.008000    0.040000
 -1.3960E+01 -1.6784E+01 -7.3235E+00
 -1.5648E+01  1.3399E+01  1.3612E+01
  4.9903E+02 -2.2413E+03 -1.7677E+03
HC            5297    1.008000    0.040000
 -1.2751E+01 -1.6468E+01 -8.5233E+00
  1.8474E+00 -1.6505E+01  2.0390E+01
 -3.4079E+02  1.7408E+03 -3.4607E+02
HC            5298    1.008000    0.040000
 -1.4527E+01 -1.6409E+01 -8.8994E+00
  1.3870E+01 -9.2535E+00 -8.2210E+00
  1.0753E+03  1.8010E+03 -1.0910E+03
CT            5299   12.011000    0.145000
 -1.8565E+01  1.9233E+01  8.1829E+00
  2.3065E+00 -2.6383E+00 -3.2771E-01
  5.2230E+03 -1.9926E+03  1.6477E+03
OH            5300    0.000000   -0.683000
 -1.9145E+01  1.8593E+01  9.2977E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5301    1.008000    0.418000
 -2.0017E+01  1.8598E+01  8.9354E+00
  2.4162E+00  7.2140E+00 -5.9688E+00
 -7.0139E+02 -1.8113E+03  2.2850E+03
HC            5302    1.008000    0.040000
 -1.9044E+01  2.0174E+01  7.9141E+00
 -1.5560E+01 -1.6564E+01 -2.0734E+01
 -1.7238E+02 -1.3880E+03 -1.0315E+01
HC            5303    1.008000    0.040000
 -1.8561E+01  1.8584E+01  7.3072E+00
  1.9320E+00  3.9121E+00 -5.2621E+00
 -2.8786E+03  7.8690E+02 -5.2789E+02
HC            5304    1.008000    0.040000
 -1.7491E+01  1.9397E+01  8.2670E+00
  4.3958E-02  1.4456E+01 -1.2256E+00
 -1.5070E+02  1.1458E+03  2.3937E+03
CT            5305   12.011000    0.145000
 -1.7717E+01  1.7932E+01 -1.4581E+01
  1.1360E-01 -5.4724E+00 -2.6065E+00
  7.1264E+01  6.8091E+03 -3.7989E+03
OH            5306    0.000000   -0.683000
 -1.6308E+01  1.7982E+01 -1.4612E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5307    1.008000    0.418000
 -1.6030E+01  1.7188E+01 -1.5042E+01
  1.7467E+01 -2.4273E-01  1.0743E+01
  2.3090E+03 -5.8877E+02  2.9564E+03
HC            5308    1.008000    0.040000
 -1.8144E+01  1.7480E+01 -1.5476E+01
 -1.8284E+01  2.8743E+00  1.4805E+00
 -7.7344E+02 -2.5658E+03  2.1597E+03
HC            5309    1.008000    0.040000
 -1.7962E+01  1.8969E+01 -1.4809E+01
  2.8011E+01 -1.7637E+00 -2.0796E+01
 -9.3158E+01 -3.1707E+02  1.4036E+03
HC            5310    1.008000    0.040000
 -1.8181E+01  1.7667E+01 -1.3631E+01
 -2.4717E+00 -1.1123E+01 -5.3980E+00
  4.5164E+02 -2.3474E+03 -9.1165E+02
CT            5311   12.011000    0.145000
 -1.2520E+01 -1.4237E+01 -4.4340E+00
 -5.4674E+00  7.8737E-01 -2.4519E-01
  2.7144E+03 -3.2013E+03  6.3646E+01
OH            5312    0.000000   -0.683000
 -1.2603E+01 -1.4417E+01 -3.0379E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5313    1.008000    0.418000
 -1.1742E+01 -1.4585E+01 -2.6855E+00
 -8.8732E+00 -4.3723E+00  2.1135E+01
  2.6869E+02  1.8338E+03 -1.9738E+03
HC            5314    1.008000    0.040000
 -1.3334E+01 -1.3714E+01 -4.9356E+00
 -2.2121E+00  1.3007E+01  6.8148E+00
  4.4214E+02  1.6844E+03  1.8474E+03
HC            5315    1.008000    0.040000
 -1.2424E+01 -1.5217E+01 -4.9020E+00
  2.6875E+01  4.7323E+00 -4.1275E+00
  1.0888E+03  7.1931E+02  1.7552E+02
HC            5316    1.008000    0.040000
 -1.1583E+01 -1.3706E+01 -4.5969E+00
 -2.2881E+01  3.0067E+01 -1.3123E+01
 -1.9622E+03  1.0326E+03 -2.7104E+03
CT            5317   12.011000    0.145000
  1.7829E+01  5.0212E-01 -5.0664E+00
 -3.8650E+00 -5.3017E-01  1.1511E+00
  1.7629E+03  1.8824E+03 -1.8096E+03
OH            5318    0.000000   -0.683000
  1.8009E+01  1.4493E+00 -4.0377E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5319    1.008000    0.418000
  1.7362E+01  1.3801E+00 -3.3523E+00
  9.8953E+00  1.2327E+01  1.1131E+01
  1.0573E+02 -3.8944E+03 -1.2468E+03
HC            5320    1.008000    0.040000
  1.6826E+01  4.0924E-01 -5.4832E+00
  3.8194E+00 -3.4824E+01 -1.3154E+01
  9.8156E+02 -1.1282E+03  1.3551E+03
HC            5321    1.008000    0.040000
  1.8222E+01 -4.7141E-01 -4.7744E+00
 -5.9339E+00 -5.8446E+00 -1.2982E+01
 -2.1516E+03 -5.9862E+02 -2.7155E+02
HC            5322    1.008000    0.040000
  1.8510E+01  8.2646E-01 -5.8526E+00
  2.2191E+01  2.0595E+00  2.3318E+01
 -4.8504E+02 -6.9801E+02  4.8262E+02
CT            5323   12.011000    0.145000
 -1.7931E+01 -1.1546E+00  1.1441E+01
  2.8308E+00  5.9007E+00 -1.4836E+00
  2.5231E+02  1.3954E+03  6.5665E+01
OH            5324    0.000000   -0.683000
 -1.7794E+01 -8.8183E-01  1.2818E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5325    1.008000    0.418000
 -1.8352E+01 -1.3743E-01  1.2982E+01
 -4.5147E+00  2.2651E+00 -2.2448E+01
  5.5901E+02 -5.1214E+02  5.6489E+02
HC            5326    1.008000    0.040000
 -1.8101E+01 -2.2144E+00  1.1252E+01
  1.1494E+01  7.6512E+00 -2.1669E+01
  6.8947E+02  4.4170E+02  7.0085E+01
HC            5327    1.008000    0.040000
 -1.7097E+01 -8.2768E-01  1.0820E+01
 -2.0239E+00  3.0103E+00 -9.6855E+00
  2.8613E+03 -1.9314E+03  3.1934E+03
HC            5328    1.008000    0.040000
 -1.8708E+01 -6.9787E-01  1.0829E+01
 -3.1836E+01 -3.0656E+01  1.0889E+01
 -2.2793E+03 -5.2575E+02  5.8624E+03
CT            5329   12.011000    0.145000
 -5.7309E+00  9.0823E+00  6.5849E+00
 -1.8384E+00 -6.9801E-01  1.4769E+00
  4.1664E+03  2.7696E+03  2.4551E+03
OH            5330    0.000000   -0.683000
 -6.3833E+00  1.0310E+01  6.3488E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5331    1.008000    0.418000
 -5.8525E+00  1.1010E+01  6.6958E+00
  1.1295E+01 -2.4962E-01 -1.5692E+01
  1.2955E+03 -1.7516E+03  5.1952E+02
HC            5332    1.008000    0.040000
 -5.8454E+00  8.7449E+00  7.6150E+00
 -5.1385E+00  1.2757E+00  1.7708E+00
 -2.0128E+03  9.3590E+00 -1.2713E+02
HC            5333    1.008000    0.040000
 -4.6563E+00  9.2641E+00  6.6012E+00
 -3.4121E+00  9.9404E+00  2.3609E+01
 -4.2870E+02  1.2191E+03 -1.0073E+03
HC            5334    1.008000    0.040000
 -5.8120E+00  8.2445E+00  5.8923E+00
  1.6844E+01  2.3659E+00 -4.9946E+00
 -3.2488E+03  1.8010E+03 -3.0100E+02
CT            5335   12.011000    0.145000
 -1.2672E+01 -1.7948E+00 -2.4301E+00
 -4.8917E+00  8.7731E-01  1.3432E+00
 -1.3951E+03  2.2051E+03 -1.1857E+03
OH            5336    0.000000   -0.683000
 -1.3107E+01 -2.5382E+00 -3.5467E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5337    1.008000    0.418000
 -1.3963E+01 -2.1568E+00 -3.6674E+00
 -4.0482E+00 -1.7757E+00  1.9719E+01
  9.9753E+02 -3.6105E+02 -2.7517E+03
HC            5338    1.008000    0.040000
 -1.1621E+01 -1.9390E+00 -2.1792E+00
 -7.0244E+00  7.5084E+00  1.5030E+01
 -6.4870E+02 -1.1457E+03  3.7868E+02
HC            5339    1.008000    0.040000
 -1.3227E+01 -1.8673E+00 -1.4947E+00
  3.0300E+01 -3.7771E+00  2.3745E+01
  1.2470E+03 -2.4452E+03 -1.2685E+03
HC            5340    1.008000    0.040000
 -1.2781E+01 -7.4289E-01 -2.6940E+00
 -5.5886E+00 -1.8864E+00 -9.8940E+00
  9.8168E+02  3.7309E-01 -8.9285E+02
CT            5341   12.011000    0.145000
 -1.3075E+00 -1.2980E+01 -1.5307E+01
  2.2292E+00  1.3510E-01  1.3857E+00
 -1.9176E+03 -2.6865E+02 -9.2810E+02
OH            5342    0.000000   -0.683000
 -9.9267E-01 -1.4300E+01 -1.5690E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5343    1.008000    0.418000
 -1.0619E+00 -1.4884E+01 -1.4950E+01
 -3.0660E+01 -1.9487E+01 -1.6106E+01
  1.8982E+03  1.9930E+03 -8.7256E+02
HC            5344    1.008000    0.040000
 -1.5402E+00 -1.2320E+01 -1.6143E+01
 -3.4219E-01  1.1936E+00  2.9246E+00
 -4.4785E+02 -1.5753E+03 -1.1896E+03
HC            5345    1.008000    0.040000
 -5.3783E-01 -1.2367E+01 -1.4838E+01
  1.5080E+01  4.1424E+00 -2.3245E+01
  3.9921E+02 -3.5108E+03  1.4290E+03
HC            5346    1.008000    0.040000
 -2.2193E+00 -1.3048E+01 -1.4714E+01
  1.5492E+01 -2.4444E+00  2.2525E+01
  1.0138E+03  9.8288E+02  1.0031E+03
CT            5347   12.011000    0.145000
 -1.4167E+01 -1.1356E+01  7.1743E-01
 -8.7292E+00  2.4066E+00 -5.4491E-01
  1.9178E+03 -9.5324E+02 -2.5303E+03
OH            5348    0.000000   -0.683000
 -1.3784E+01 -1.0134E+01  1.2814E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5349    1.008000    0.418000
 -1.3880E+01 -9.4729E+00  7.9692E-01
 -1.3591E+00 -9.5196E+00  9.4812E+00
 -1.3645E+03 -4.6524E+02  2.0695E+01
HC            5350    1.008000    0.040000
 -1.3271E+01 -1.1975E+01  7.5791E-01
 -2.4812E+00  1.1463E+01  3.6342E+01
 -9.1934E+02  4.0143E+02  2.1280E+03
HC            5351    1.008000    0.040000
 -1.4849E+01 -1.1873E+01  4.2988E-02
 -7.1662E-01  1.7902E+00 -8.3678E+00
 -1.1997E+03  1.8582E+02  1.2969E+03
HC            5352    1.008000    0.040000
 -1.4626E+01 -1.1243E+01  1.6996E+00
 -4.0049E+01  1.8812E+00 -1.3946E+01
  1.0995E+02 -8.9405E+02 -1.2717E+03
CT            5353   12.011000    0.145000
  2.6216E+00 -1.0255E+01 -1.9059E+01
 -8.0799E-01 -8.3430E-01 -1.1132E+00
  1.0993E+03  1.3615E+03  4.3131E+03
OH            5354    0.000000   -0.683000
  3.5603E+00 -1.1302E+01 -1.8954E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5355    1.008000    0.418000
  3.8383E+00 -1.1622E+01 -1.9798E+01
  1.9777E+01  1.5825E+01 -2.5145E-01
  1.4679E+03  1.5843E+03  4.0378E+02
HC            5356    1.008000    0.040000
  2.9518E+00 -9.2829E+00 -1.9424E+01
 -2.6691E+01  4.7202E+00 -1.1977E+01
  2.2196E+02 -1.6180E+03 -1.9659E+03
HC            5357    1.008000    0.040000
  2.5298E+00 -1.0040E+01 -1.7995E+01
  4.8129E+00  8.9522E+00 -2.4886E+00
 -3.2223E+03  6.8976E+02 -2.3046E+02
HC            5358    1.008000    0.040000
  1.6310E+00 -1.0388E+01 -1.9494E+01
 -3.6316E+00  2.9937E+01 -6.3507E+00
  1.5877E+03 -1.1730E+03  3.1489E+01
CT            5359   12.011000    0.145000
 -1.1166E+01 -1.6826E+01 -1.1919E+01
 -4.7381E-01 -6.7328E+00  1.9073E+00
  5.8886E+02  2.2291E+03  3.5756E+03
OH            5360    0.000000   -0.683000
 -1.2534E+01 -1.6641E+01 -1.1634E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5361    1.008000    0.418000
 -1.2685E+01 -1.7169E+01 -1.0864E+01
 -1.8633E+01  1.2505E+01  5.6260E+00
 -3.2989E+03 -4.3173E+02 -1.4283E+03
HC            5362    1.008000    0.040000
 -1.0532E+01 -1.6900E+01 -1.1036E+01
  2.0785E+01  1.8290E+01 -9.8707E+00
 -2.1409E+03  2.3589E+03  6.6091E+02
HC            5363    1.008000    0.040000
 -1.0802E+01 -1.5919E+01 -1.2403E+01
 -1.2957E+01 -3.5999E+00 -1.9886E+00
  2.5377E+00 -6.4772E+02 -9.3571E+02
HC            5364    1.008000    0.040000
 -1.0808E+01 -1.7718E+01 -1.2433E+01
 -1.8095E+01 -8.2363E+00 -8.5924E+00
 -4.1941E+03  6.1278E+01 -2.3120E+03
CT            5365   12.011000    0.145000
 -1.2855E+01 -1.8199E+00 -9.1158E+00
  9.6437E-01  9.0007E-01 -5.2366E-01
  1.5099E+03  2.8352E+02 -1.5660E+03
OH            5366    0.000000   -0.683000
 -1.3833E+01 -1.2701E+00 -9.9692E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5367    1.008000    0.418000
 -1.3970E+01 -4.8533E-01 -9.4610E+00
  1.4390E+01 -1.2535E+01  2.5214E+01
 -3.6507E+03 -1.3441E+03 -1.5511E+03
HC            5368    1.008000    0.040000
 -1.2394E+01 -2.6599E+00 -9.6357E+00
  4.0573E+00 -5.0605E+00  1.1484E+01
  7.4137E+02 -6.0633E+02  1.6086E+03
HC            5369    1.008000    0.040000
 -1.3167E+01 -2.1229E+00 -8.1164E+00
  2.6914E+01 -2.7868E+00  7.2150E+00
 -6.1405E+02  2.4983E+01 -1.2303E+03
HC            5370    1.008000    0.040000
 -1.2155E+01 -9.9918E-01 -8.9562E+00
 -5.0052E+00  3.3089E+00  1.5016E+01
  1.3376E+03 -1.5270E+03  7.6818E+02
CT            5371   12.011000    0.145000
  7.5634E+00  1.1990E+01  1.2569E+01
  3.8153E+00 -1.7107E+00 -4.5192E+00
  2.4773E+03 -1.4057E+03 -2.9010E+03
OH            5372    0.000000   -0.683000
  7.7913E+00  1.0767E+01  1.3233E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5373    1.008000    0.418000
  8.4340E+00  1.0837E+01  1.3922E+01
  1.1674E+01 -1.9636E+00 -1.0328E+01
  1.0458E+03  2.1585E+03 -1.4438E+03
HC            5374    1.008000    0.040000
  7.1714E+00  1.1758E+01  1.1579E+01
  1.8599E+01  1.0832E+01 -1.3775E+01
  1.3374E+03  4.8972E+02 -4.6626E+02
HC            5375    1.008000    0.040000
  8.5439E+00  1.2463E+01  1.2511E+01
  7.6740E+00 -2.4689E+00  3.1720E+01
 -1.5394E+03  3.1380E+02 -9.0578E+02
HC            5376    1.008000    0.040000
  6.8302E+00  1.2698E+01  1.2955E+01
  4.5665E-01 -1.1384E+01  7.4781E+00
  8.0158E+02 -1.6852E+03  3.6320E+03
CT            5377   12.011000    0.145000
  6.9372E+00  1.8243E+01 -3.9806E+00
 -5.4483E+00 -4.7850E+00 -2.8104E-01
 -8.8126E+02  7.6853E+02  5.7471E+02
OH            5378    0.000000   -0.683000
  7.0062E+00  1.8093E+01 -2.5803E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5379    1.008000    0.418000
  7.8802E+00  1.7853E+01 -2.3127E+00
  5.7190E+00  2.1529E+01  2.5215E+00
  1.1865E+03  2.0195E+03 -3.4649E+03
HC            5380    1.008000    0.040000
  7.1862E+00  1.9290E+01 -4.1491E+00
  1.6491E+01 -1.0054E+01 -3.7185E+00
  2.4836E+03 -1.1357E+03 -2.0274E+03
HC            5381    1.008000    0.040000
  5.9545E+00  1.8066E+01 -4.4177E+00
  1.4957E+00 -1.4930E+01 -1.2475E+01
  8.7878E+01 -7.6389E+02  7.0199E+02
HC            5382    1.008000    0.040000
  7.6371E+00  1.7520E+01 -4.4007E+00
  2.7759E+00  4.0453E-02  4.8432E+00
  6.3377E+02  1.8785E+03 -1.6363E+03
CT            5383   12.011000    0.145000
 -5.6535E+00  1.8301E+00 -1.6630E+01
  2.4291E+00  1.3764E+01 -2.2696E+00
  1.5338E+03  3.3936E+03  6.7172E+03
OH            5384    0.000000   -0.683000
 -6.9443E+00  2.1234E+00 -1.6144E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5385    1.008000    0.418000
 -7.5506E+00  1.9713E+00 -1.6853E+01
 -4.1594E+00 -2.1191E+01  7.3725E+00
  1.2047E+03 -1.7064E+03 -8.3560E+01
HC            5386    1.008000    0.040000
 -5.3857E+00  8.8793E-01 -1.6151E+01
 -1.3223E+01  3.8838E+00 -1.2057E+01
 -7.6562E+02 -9.7309E+02 -1.9474E+03
HC            5387    1.008000    0.040000
 -4.9645E+00  2.5340E+00 -1.6163E+01
  6.8043E+00 -2.2017E-01  1.3342E+01
 -1.0947E+03 -6.8618E+01  2.0971E+03
HC            5388    1.008000    0.040000
 -5.2835E+00  1.9851E+00 -1.7643E+01
 -7.2782E+00  1.6596E+01 -5.4914E+00
 -5.4907E+03 -1.7455E+03 -1.8279E+03
CT            5389   12.011000    0.145000
 -1.7789E+01 -1.7775E+01 -1.9966E+01
  1.0647E+00  2.0783E+00  3.7252E+00
 -2.1702E+03  1.2471E+03 -3.7899E+03
OH            5390    0.000000   -0.683000
 -1.9051E+01 -1.8102E+01 -1.9428E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5391    1.008000    0.418000
 -1.8907E+01 -1.8109E+01 -1.8494E+01
 -4.1545E+00  2.8773E+01  1.7695E+00
  4.0288E+02  1.6333E+03 -7.8443E+02
HC            5392    1.008000    0.040000
 -1.7935E+01 -1.7538E+01  1.9880E+01
  2.3270E+01 -1.1236E+01 -3.0193E+00
  1.3801E+03 -8.8878E+02 -2.4647E+02
HC            5393    1.008000    0.040000
 -1.7170E+01 -1.8670E+01 -1.9906E+01
  7.6798E+00  6.3483E+00  3.3604E-01
  2.0986E+03  1.7279E+03  2.0758E+02
HC            5394    1.008000    0.040000
 -1.7371E+01 -1.6895E+01 -1.9477E+01
  1.2632E+01 -7.6725E+00  1.2003E+01
  1.6304E+03 -1.4367E+03  6.2633E+02
CT            5395   12.011000    0.145000
  2.6168E+00  1.8383E+01  1.7256E+01
  7.2458E+00  7.1238E-01  2.3550E-02
  3.3681E+03 -1.0808E+03  1.8414E+03
OH            5396    0.000000   -0.683000
  2.7341E+00  1.7137E+01  1.6606E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5397    1.008000    0.418000
  2.5528E+00  1.6521E+01  1.7299E+01
  6.6535E+00 -5.4309E+00 -2.9725E+00
  1.4423E+03 -1.1463E+03 -6.7113E+02
HC            5398    1.008000    0.040000
  3.4652E+00  1.8707E+01  1.7859E+01
  1.0268E+01  1.4139E+01 -1.0920E+01
  2.7961E+03 -2.5424E+03 -2.6154E+03
HC            5399    1.008000    0.040000
  1.9097E+00  1.8421E+01  1.8085E+01
 -1.6953E+01  4.5426E+00 -1.9609E+01
 -3.3224E+03 -1.4545E+03 -3.3925E+03
HC            5400    1.008000    0.040000
  2.4804E+00  1.9245E+01  1.6603E+01
 -8.2249E+00 -3.2865E+00 -2.4220E+00
 -1.4767E+03 -1.1311E+03 -6.3703E+02
CT            5401   12.011000    0.145000
  1.0863E+01 -2.7975E+00 -1.4456E+01
  7.1617E+00  6.0012E+00 -5.7738E+00
  2.2995E+03  5.0628E+02 -1.5507E+03
OH            5402    0.000000   -0.683000
  1.1892E+01 -3.6855E+00 -1.4082E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5403    1.008000    0.418000
  1.1584E+01 -4.1308E+00 -1.3307E+01
  1.1480E+01 -2.2755E+00  3.4372E+00
 -1.2934E+03  1.0811E+03 -1.8524E+02
HC            5404    1.008000    0.040000
  1.1050E+01 -2.0963E+00 -1.5269E+01
 -1.4707E+01 -2.1562E+01 -3.7331E+01
  2.1214E+03 -1.7304E+03  1.8569E+03
HC            5405    1.008000    0.040000
  1.0536E+01 -2.2502E+00 -1.3572E+01
 -5.9243E+00  9.5415E+00 -1.2536E+01
 -9.0097E+02 -1.7192E+02 -5.9080E+02
HC            5406    1.008000    0.040000
  1.0007E+01 -3.3242E+00 -1.4878E+01
  9.0504E+00 -1.4875E+01  1.4455E+01
  2.9970E+02 -9.8397E+02  2.3211E+03
CT            5407   12.011000    0.145000
  3.1205E+00  1.0750E+01  1.9501E+01
  2.3361E+00 -2.6105E+00  1.1438E+00
  6.7887E+02 -2.2316E+03  9.2952E+02
OH            5408    0.000000   -0.683000
  3.0594E+00  1.0144E+01  1.8229E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5409    1.008000    0.418000
  2.5659E+00  9.3490E+00  1.8364E+01
 -1.2955E+01  6.4009E+00 -7.7195E+00
  3.4600E+02 -1.2169E+02 -1.3389E+03
HC            5410    1.008000    0.040000
  3.4373E+00  1.1791E+01  1.9438E+01
  2.1307E+01 -6.5210E+00  2.0233E+01
  2.5609E+02 -7.0460E+02  1.9024E+03
HC            5411    1.008000    0.040000
  3.8329E+00  1.0214E+01  2.0128E+01
 -1.0912E+01 -3.8234E+00  1.5780E+01
  4.7374E+02  1.0238E+03 -5.1619E+01
HC            5412    1.008000    0.040000
  2.1938E+00  1.0627E+01  2.0061E+01
  1.3407E+00 -1.4778E+01 -2.8733E+00
 -6.5718E+02  9.8927E+02 -1.2142E+03
CT            5413   12.011000    0.145000
 -1.4448E+01 -1.0767E+01 -3.0801E+00
 -2.5443E+00 -4.0384E-01 -2.1760E+00
  1.1526E+03  6.7905E+02  8.9352E+02
OH            5414    0.000000   -0.683000
 -1.5349E+01 -1.0279E+01 -2.1116E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5415    1.008000    0.418000
 -1.4934E+01 -9.9347E+00 -1.3353E+00
 -1.0416E+01 -1.1222E+00  6.2554E+00
  3.1535E+03 -3.1059E+03 -7.2778E+02
HC            5416    1.008000    0.040000
 -1.3715E+01 -9.9906E+00 -3.3023E+00
 -3.8042E+00  5.1948E+00  1.2149E+01
  1.7471E+02 -3.8028E+02 -3.8026E+01
HC            5417    1.008000    0.040000
 -1.4965E+01 -1.1028E+01 -4.0035E+00
 -2.3878E+01 -8.4525E+00  1.1284E+01
 -3.0739E+02 -1.3518E+03  1.3139E+03
HC            5418    1.008000    0.040000
 -1.3937E+01 -1.1616E+01 -2.6274E+00
 -1.5656E+01 -5.6076E+00  3.3636E+00
 -7.3260E+01 -6.2733E+02 -1.5727E+03
CT            5419   12.011000    0.145000
  2.3433E-02 -7.8687E+00  1.2460E+01
  3.9542E+00  3.0158E+00 -2.1184E+00
 -1.5678E+03 -9.3038E+02  1.4604E+03
OH            5420    0.000000   -0.683000
  9.4565E-01 -8.4676E+00  1.3342E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5421    1.008000    0.418000
  1.7787E+00 -8.1813E+00  1.3000E+01
 -6.3437E+00  1.4326E+01 -4.2283E+00
 -3.1266E-01 -7.7918E+02  2.7125E+02
HC            5422    1.008000    0.040000
 -7.7790E-01 -8.6030E+00  1.2377E+01
  1.3764E+01 -1.0090E+01  1.3222E+01
  4.7305E+02  3.3464E+02 -1.7875E+03
HC            5423    1.008000    0.040000
  5.1258E-01 -7.6923E+00  1.1502E+01
 -1.5395E+01 -9.1945E+00 -1.4965E+01
 -2.1439E+03  2.5005E+02 -2.7855E+02
HC            5424    1.008000    0.040000
 -4.5176E-01 -7.0068E+00  1.2928E+01
 -1.2537E+01 -1.2208E+01  1.0584E+01
  1.4966E+03  4.6408E+02 -1.1063E+03
CT            5425   12.011000    0.145000
  1.5074E+01 -1.7838E+00 -1.4029E+01
  3.4282E+00  1.5283E-02 -3.0880E+00
  2.0502E+03 -9.7299E+02 -1.6265E+03
OH            5426    0.000000   -0.683000
  1.4177E+01 -2.2317E+00 -1.5020E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5427    1.008000    0.418000
  1.3478E+01 -2.7886E+00 -1.4714E+01
 -2.9344E+00 -3.5603E+00 -1.2591E+01
  8.1943E+02  6.7935E+02  2.0756E+03
HC            5428    1.008000    0.040000
  1.5549E+01 -9.1045E-01 -1.4476E+01
  7.6961E+00 -4.1004E+00 -6.7025E+00
  1.3704E+01  9.1293E+02  1.8767E+03
HC            5429    1.008000    0.040000
  1.5899E+01 -2.4821E+00 -1.3886E+01
  2.9795E+00  1.3580E+00  6.7422E+00
 -5.6693E+02 -7.7842E+02  4.5210E+01
HC            5430    1.008000    0.040000
  1.4717E+01 -1.6522E+00 -1.3007E+01
  1.2190E+01 -3.6196E+01  6.0808E+00
 -1.2945E+03  5.2125E+02 -2.4121E+03
CT            5431   12.011000    0.145000
 -9.5224E+00 -7.6262E+00 -1.2242E+01
 -3.5275E-01 -6.8396E-01  6.6002E+00
  4.1225E+03 -2.7939E+03  1.6114E+03
OH            5432    0.000000   -0.683000
 -1.0176E+01 -8.8640E+00 -1.2412E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5433    1.008000    0.418000
 -1.0985E+01 -8.6329E+00 -1.1983E+01
  1.0498E+01  1.4102E+01  1.3341E+01
 -1.9389E+02 -5.4731E+03  6.3736E+02
HC            5434    1.008000    0.040000
 -9.2308E+00 -7.4987E+00 -1.1200E+01
 -3.0545E+01  1.9608E+01  1.3882E+01
 -1.5536E+03  9.7213E+02 -5.2686E+02
HC            5435    1.008000    0.040000
 -1.0114E+01 -6.7487E+00 -1.2502E+01
  2.2620E+00  5.2117E+00  1.9721E+01
  3.1060E+02 -5.5933E+02  5.9785E+00
HC            5436    1.008000    0.040000
 -8.6109E+00 -7.7024E+00 -1.2835E+01
 -5.5658E+00 -1.1311E+01 -3.6863E-01
 -4.9316E+02  1.5313E+03 -1.0006E+03
CT            5437   12.011000    0.145000
 -1.5524E+01 -2.0380E+01 -1.1849E+01
  4.8173E-01 -4.6042E-01  3.2417E+00
 -1.6469E+03  2.5414E+02  1.9992E+03
OH            5438    0.000000   -0.683000
 -1.5954E+01  1.9184E+01 -1.1978E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5439    1.008000    0.418000
 -1.6339E+01  1.9143E+01 -1.2840E+01
 -1.7228E+01  1.9119E+01  5.9764E+00
  2.2544E+03 -1.6046E+03  2.2004E+02
HC            5440    1.008000    0.040000
 -1.5442E+01 -2.0139E+01 -1.0789E+01
 -1.1432E+01  1.2442E+00  3.9217E+00
  1.6883E+03 -2.5994E+01 -1.9208E+02
HC            5441    1.008000    0.040000
 -1.6335E+01 -1.9756E+01 -1.2227E+01
  9.5442E+00 -2.9444E+00 -2.2234E+01
  1.9899E+03  8.6270E+02 -1.6743E+03
HC            5442    1.008000    0.040000
 -1.4602E+01 -2.0173E+01 -1.2392E+01
 -1.1246E+01  3.6949E+01 -5.4192E+00
 -1.8709E+03  1.7079E+03  2.7212E+02
CT            5443   12.011000    0.145000
  1.0446E+00  6.3079E+00  1.8259E+01
 -5.8792E+00  5.3359E+00 -3.2159E+00
  1.2785E+03 -1.0165E+03  1.6820E+03
OH            5444    0.000000   -0.683000
  1.5590E+00  7.3456E+00  1.9063E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5445    1.008000    0.418000
  1.4056E+00  7.0883E+00  1.9960E+01
  3.0339E+00 -5.0497E+00 -8.9008E-01
 -2.5796E+03  2.0019E+01 -5.2441E+02
HC            5446    1.008000    0.040000
  1.3012E+00  6.5270E+00  1.7223E+01
  8.9137E+00  1.7543E+01  2.6385E+00
 -1.9745E+03  1.8809E+02  1.8813E+02
HC            5447    1.008000    0.040000
 -1.1042E-02  6.1322E+00  1.8466E+01
 -5.2873E+00 -8.5589E+00 -1.0780E+01
 -3.3923E+02  1.5944E+03 -2.1340E+03
HC            5448    1.008000    0.040000
  1.4418E+00  5.2985E+00  1.8366E+01
  7.8290E-01  1.1646E+00 -4.7935E+01
  1.6889E+03  2.8574E+03  9.5823E+02
CT            5449   12.011000    0.145000
  2.2309E+00 -5.1313E+00  1.4512E+01
  6.1951E+00  2.5368E+00 -9.3646E-01
  9.1502E+02  1.0388E+03  3.0005E+03
OH            5450    0.000000   -0.683000
  1.6784E+00 -3.8381E+00  1.4409E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5451    1.008000    0.418000
  1.4093E+00 -3.5446E+00  1.5266E+01
 -1.0411E+01 -1.3605E+01  1.7370E+00
 -3.2362E+02  4.4662E+02 -6.2279E+02
HC            5452    1.008000    0.040000
  3.0370E+00 -5.0696E+00  1.5243E+01
  1.7589E+01 -3.3565E+00 -1.2589E+01
  1.6008E+03 -5.6202E+02 -1.5717E+03
HC            5453    1.008000    0.040000
  2.5805E+00 -5.5010E+00  1.3548E+01
 -1.2320E+01 -2.8372E+01  2.8432E+00
 -1.8279E+02 -9.2033E+02  1.7506E+03
HC            5454    1.008000    0.040000
  1.5578E+00 -5.8748E+00  1.4939E+01
 -2.4031E+00  7.3991E+00 -5.7428E+00
 -1.6276E+03  5.1181E+02 -1.7668E+03
CT            5455   12.011000    0.145000
 -1.3386E+01 -6.0721E+00 -9.4058E+00
 -6.1048E+00  4.5853E+00  7.2615E-01
  2.6361E+03 -1.3782E+03 -3.9111E+03
OH            5456    0.000000   -0.683000
 -1.4222E+01 -7.1358E+00 -9.8022E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5457    1.008000    0.418000
 -1.4301E+01 -7.7148E+00 -9.0595E+00
 -6.1544E+00 -4.1566E+00 -3.7958E+00
 -4.5042E+02  1.8695E+03  1.2489E+03
HC            5458    1.008000    0.040000
 -1.3378E+01 -5.4286E+00 -1.0285E+01
 -6.8758E+00  7.6938E-01 -2.0985E+00
  9.9213E+02  1.5976E+03  1.0203E+03
HC            5459    1.008000    0.040000
 -1.2392E+01 -6.5190E+00 -9.3705E+00
 -8.7243E+00 -2.5495E+00 -1.0598E+01
  3.1312E+02  8.8861E+02  1.3213E+03
HC            5460    1.008000    0.040000
 -1.3594E+01 -5.5219E+00 -8.4881E+00
 -5.7981E+00 -4.1651E+00  6.1586E+00
 -1.7500E+03 -1.1031E+03 -2.7406E+02
CT            5461   12.011000    0.145000
 -9.6754E+00  5.6518E+00  1.0875E+01
  1.7391E+00 -5.0074E+00  7.8827E+00
 -1.3269E+03 -2.3036E+03 -2.4682E+02
OH            5462    0.000000   -0.683000
 -8.8401E+00  4.7918E+00  1.0133E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5463    1.008000    0.418000
 -8.6844E+00  4.0501E+00  1.0698E+01
  5.2661E+00  4.6853E+00  4.8335E+00
 -2.7395E+02  9.5065E+01  6.4684E+01
HC            5464    1.008000    0.040000
 -9.4910E+00  6.7157E+00  1.0726E+01
  1.2821E+00 -5.9355E+00  2.8740E-01
  1.1196E+03 -5.2559E+02 -5.4763E+02
HC            5465    1.008000    0.040000
 -9.6034E+00  5.4374E+00  1.1941E+01
  2.5977E+01  2.5090E+00  8.3626E+00
  1.7994E+03  4.7233E+02 -4.4095E+02
HC            5466    1.008000    0.040000
 -1.0746E+01  5.5958E+00  1.0676E+01
  1.4400E+00  2.5347E+00  7.0792E+00
  5.1525E+02 -2.2162E+03 -2.1654E+03
CT            5467   12.011000    0.145000
  5.0356E+00 -1.3759E+01 -1.6748E+01
 -2.8548E-01 -3.9463E+00  1.3769E+00
  4.8235E+02  1.9027E+03  3.5622E+03
OH            5468    0.000000   -0.683000
  6.4391E+00 -1.3878E+01 -1.6812E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5469    1.008000    0.418000
  6.5767E+00 -1.4685E+01 -1.6340E+01
  2.2281E+01  2.2168E-01 -5.0176E+00
  4.6257E+03  9.2787E+02 -8.9707E+01
HC            5470    1.008000    0.040000
  4.7190E+00 -1.2770E+01 -1.7080E+01
 -4.8005E+00 -8.5881E+00 -8.5872E+00
 -3.0899E+02 -1.9964E+02 -9.4059E+01
HC            5471    1.008000    0.040000
  4.8253E+00 -1.3939E+01 -1.5694E+01
  1.7933E+01 -3.3569E+01  1.0853E+00
 -3.2097E+02  1.3536E+03 -8.8858E+02
HC            5472    1.008000    0.040000
  4.4323E+00 -1.4509E+01 -1.7259E+01
  1.3384E+01 -8.0173E+00 -9.4085E+00
  2.2738E+03 -2.1991E+02 -1.5214E+03
CT            5473   12.011000    0.145000
  1.9979E+01 -8.2547E+00  1.3335E+01
  2.1875E+00 -4.0385E+00 -4.5802E+00
 -5.3565E+02 -3.0750E+03 -6.2211E+02
OH            5474    0.000000   -0.683000
 -1.9962E+01 -8.7516E+00  1.4241E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5475    1.008000    0.418000
 -2.0259E+01 -8.4054E+00  1.5068E+01
 -4.6847E+00  3.1031E+01 -1.3261E+01
  2.2122E+03  5.6720E+02 -7.8521E+02
HC            5476    1.008000    0.040000
  1.9121E+01 -8.9200E+00  1.3235E+01
 -1.5524E+01  1.8170E+01 -8.6937E+00
 -2.8091E+02  1.0614E+03  2.4129E+02
HC            5477    1.008000    0.040000
 -2.0406E+01 -8.2851E+00  1.2375E+01
 -1.0083E+01 -2.7096E+01 -1.1193E+01
 -2.6849E+03  2.8824E+03 -6.2026E+02
HC            5478    1.008000    0.040000
  1.9632E+01 -7.3256E+00  1.3788E+01
  4.1604E+00 -1.1392E+01  1.2826E+01
  2.2488E+02  4.8835E+02 -2.6595E+03
CT            5479   12.011000    0.145000
  1.7422E+01 -1.7193E+00  1.9733E+01
 -1.9794E+00  4.5036E+00  2.4148E+00
 -5.5393E+03  4.7201E+03  3.6141E+03
OH            5480    0.000000   -0.683000
  1.7747E+01 -2.2593E+00 -1.9906E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5481    1.008000    0.418000
  1.7068E+01 -2.1400E+00 -1.9259E+01
 -3.1471E+00 -7.2851E+00 -1.8568E+00
 -1.3725E+03  1.3278E+03 -1.8225E+03
HC            5482    1.008000    0.040000
  1.6373E+01 -1.8496E+00  1.9466E+01
  3.9789E+00 -9.7907E+00 -1.6233E+01
  6.4640E+02 -2.6313E+03 -1.5243E+03
HC            5483    1.008000    0.040000
  1.8111E+01 -2.1890E+00  1.9031E+01
 -6.9959E+00 -1.3978E+00  1.3526E+00
  2.6764E+02  2.8682E+03 -4.2410E+02
HC            5484    1.008000    0.040000
  1.7522E+01 -6.4568E-01  1.9892E+01
  3.5553E+00  5.8733E+00 -9.2162E+00
  2.0157E+03  6.7108E+02 -3.0467E+03
CT            5485   12.011000    0.145000
  1.2435E+01 -1.8610E+01 -3.4675E+00
 -4.6404E+00  4.8324E+00 -6.5261E-01
 -2.0505E+03  5.2226E+03 -1.4622E+03
OH            5486    0.000000   -0.683000
  1.2894E+01 -1.8017E+01 -2.2731E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5487    1.008000    0.418000
  1.3681E+01 -1.7532E+01 -2.4695E+00
  3.5820E+00  5.6421E+00  2.4901E+01
 -8.0007E+02  1.4661E+03  2.5304E+03
HC            5488    1.008000    0.040000
  1.3317E+01 -1.8990E+01 -3.9832E+00
 -3.9356E+00  2.3482E+00  2.3545E+00
 -1.7756E+03 -2.0989E+03 -9.4648E+02
HC            5489    1.008000    0.040000
  1.2031E+01 -1.7691E+01 -3.8912E+00
 -2.8711E+01 -1.0626E+00  7.9189E+00
 -6.4006E+02 -2.0934E+03 -3.4305E+03
HC            5490    1.008000    0.040000
  1.1570E+01 -1.9256E+01 -3.3196E+00
 -1.6737E+01  1.9402E+01 -5.2464E+00
  9.1528E+02 -4.0734E+02 -6.8864E+02
CT            5491   12.011000    0.145000
 -1.3750E+01 -1.3047E+01  4.7323E+00
  2.4284E+00 -6.7912E-01 -1.4758E+00
 -2.9420E+03  1.7821E+03  1.8018E+03
OH            5492    0.000000   -0.683000
 -1.2997E+01 -1.2920E+01  5.9178E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5493    1.008000    0.418000
 -1.3548E+01 -1.2567E+01  6.5994E+00
 -7.6584E+00 -1.9727E+01  4.7071E+00
 -1.3944E+03 -1.0957E+03 -1.1096E+03
HC            5494    1.008000    0.040000
 -1.4331E+01 -1.2133E+01  4.6147E+00
  2.0495E+01  9.7824E+00 -1.4681E+01
  1.4888E+03  5.9428E+02 -1.6830E+03
HC            5495    1.008000    0.040000
 -1.4468E+01 -1.3866E+01  4.7789E+00
  1.4095E+01 -1.2042E+01 -1.2911E+01
  1.7346E+03 -1.3534E+03 -4.9553E+02
HC            5496    1.008000    0.040000
 -1.3029E+01 -1.3145E+01  3.9203E+00
 -4.0752E+00  1.9455E+00 -7.6720E+00
 -2.2856E+03 -7.4016E+02 -1.5284E+03
CT            5497   12.011000    0.145000
  4.3781E+00 -1.4398E+01  2.5869E+00
  5.8739E+00  3.2830E+00 -2.6341E+00
  1.7679E+03 -1.5398E+03 -2.9938E+03
OH            5498    0.000000   -0.683000
  5.1933E+00 -1.5278E+01  3.3281E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5499    1.008000    0.418000
  4.5555E+00 -1.5857E+01  3.7167E+00
 -5.1838E+00  1.1146E+01  8.6855E+00
  1.5909E+03 -2.1123E+01  2.0537E+03
HC            5500    1.008000    0.040000
  3.3530E+00 -1.4294E+01  2.9426E+00
 -9.2072E-01 -5.8419E+00 -1.8481E+01
  1.0380E+03 -2.1360E+02  9.6891E+02
HC            5501    1.008000    0.040000
  4.2280E+00 -1.4872E+01  1.6170E+00
 -2.2230E+01  1.1633E+01 -3.2547E+00
 -9.8345E+02  1.1434E+03  2.7152E+01
HC            5502    1.008000    0.040000
  4.8539E+00 -1.3428E+01  2.4398E+00
  2.8468E+01 -4.0366E+00  1.6015E+01
  3.7754E+02 -9.3540E+02  6.7478E+02
CT            5503   12.011000    0.145000
  1.7395E+01 -2.0440E+01  1.2226E+01
  5.0782E-01 -1.4355E+00 -5.8515E-01
 -3.3657E+02 -7.3104E+01  1.0098E+03
OH            5504    0.000000   -0.683000
  1.8692E+01 -2.0177E+01  1.2712E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5505    1.008000    0.418000
  1.9354E+01  2.0352E+01  1.2148E+01
  1.0501E+00 -4.4531E+00  4.0940E+00
 -9.3281E+02 -1.5490E+03 -3.8062E+01
HC            5506    1.008000    0.040000
  1.6698E+01 -1.9810E+01  1.2779E+01
 -5.0857E-01  3.4897E+00 -7.3455E+00
  2.8568E+02  2.0986E+03 -1.9065E+03
HC            5507    1.008000    0.040000
  1.6871E+01  1.9522E+01  1.2409E+01
 -2.4033E-01  1.2382E+00  1.1851E+01
  4.6760E+03 -2.0437E+03  2.2407E+03
HC            5508    1.008000    0.040000
  1.7246E+01 -2.0334E+01  1.1151E+01
 -1.1414E+01  1.4169E+01  2.2423E+00
  1.4734E+03  3.7551E+03  4.9192E+02
CT            5509   12.011000    0.145000
  9.8108E+00  1.9126E+01 -1.2040E+01
  2.1669E+00 -7.0271E+00  6.6563E+00
 -5.6455E+02  4.6477E+02  1.5258E+03
OH            5510    0.000000   -0.683000
  8.4378E+00  1.8993E+01 -1.1748E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5511    1.008000    0.418000
  8.1072E+00  1.9862E+01 -1.1575E+01
  7.3145E+00  2.7664E+00  4.5033E-01
  1.2907E+03  3.1378E+02  7.5091E+02
HC            5512    1.008000    0.040000
  9.9510E+00  2.0074E+01 -1.2560E+01
  1.3462E+00 -9.8288E+00  1.2477E+00
  6.1874E+02 -5.8206E+02 -7.9376E+02
HC            5513    1.008000    0.040000
  1.0156E+01  1.8288E+01 -1.2646E+01
 -2.6708E-01 -6.0613E+00  3.9123E+00
  6.7821E+02  7.3473E+02 -3.9495E+02
HC            5514    1.008000    0.040000
  1.0374E+01  1.9150E+01 -1.1107E+01
  1.3620E+01 -7.0303E-01 -1.8108E-01
  5.4999E+02  2.2190E+02 -4.2338E+02
CT            5515   12.011000    0.145000
 -6.4052E+00  4.0131E+00  6.6465E+00
  3.1859E+00  3.8484E+00 -3.7399E+00
  6.2147E+03  1.3994E+03 -4.2817E+03
OH            5516    0.000000   -0.683000
 -6.9901E+00  3.3947E+00  5.5224E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5517    1.008000    0.418000
 -7.1588E+00  2.5029E+00  5.7854E+00
 -1.9308E+01 -7.1084E-01 -1.2757E+01
  8.0197E+02 -1.3839E+02 -1.9061E+03
HC            5518    1.008000    0.040000
 -5.5032E+00  3.4081E+00  6.7388E+00
  5.3589E+00  7.5454E+00 -4.2637E-01
  7.9071E+02  9.3750E+02  2.4392E+03
HC            5519    1.008000    0.040000
 -6.8725E+00  4.1545E+00  7.6211E+00
 -2.3577E+01 -3.3323E+00 -1.4621E+01
 -3.3416E+03 -2.6460E+03 -2.1925E+03
HC            5520    1.008000    0.040000
 -6.0522E+00  4.9896E+00  6.3151E+00
  9.1904E+00  3.8822E+00  2.5266E+00
 -8.3178E+02  1.1659E+03  1.5118E+03
CT            5521   12.011000    0.145000
  1.9275E+01 -1.3457E+01  1.0007E+01
 -5.6860E-01 -4.7874E+00 -9.1326E-01
  7.5011E+02 -9.5639E+03 -2.7532E+03
OH            5522    0.000000   -0.683000
  1.8738E+01 -1.3147E+01  8.7407E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5523    1.008000    0.418000
  1.9250E+01 -1.2383E+01  8.5242E+00
  5.6398E+00 -8.4131E-01  9.7707E+00
 -1.0786E+03  1.0108E+03  1.5122E+03
HC            5524    1.008000    0.040000
  1.8934E+01 -1.4438E+01  1.0338E+01
 -7.3166E+00  3.5041E-01  7.8027E+00
 -2.9370E+03  3.5597E+02 -6.7419E+01
HC            5525    1.008000    0.040000
  1.9116E+01 -1.2853E+01  1.0900E+01
 -1.5939E+01 -1.9047E+01  6.5528E+00
 -2.4028E+03  1.9869E+03 -3.2774E+03
HC            5526    1.008000    0.040000
  2.0332E+01 -1.3712E+01  9.9221E+00
  2.5205E+00  8.2574E+00 -3.7525E+00
  9.4715E+02  3.0772E+03 -8.3302E+02
CT            5527   12.011000    0.145000
 -1.5041E+01  7.0484E+00  6.9797E+00
  5.3637E+00  1.5103E+00 -6.2797E+00
 -1.9834E+03 -4.6122E+03 -3.3091E+03
OH            5528    0.000000   -0.683000
 -1.4153E+01  6.0962E+00  7.5206E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5529    1.008000    0.418000
 -1.3343E+01  5.9503E+00  7.0556E+00
  1.4166E+01 -2.0696E+00  2.3666E+01
 -2.5625E+03  3.3336E+03 -2.7988E+03
HC            5530    1.008000    0.040000
 -1.6003E+01  7.0525E+00  7.4916E+00
  1.5849E+01  1.9713E+01  1.5031E+01
  1.2666E+03  5.0913E+02  1.1019E+03
HC            5531    1.008000    0.040000
 -1.5222E+01  6.4846E+00  6.0644E+00
 -1.4640E+01 -1.1664E+01  5.0122E+00
 -7.6379E+02  4.8668E+03 -2.2092E+03
HC            5532    1.008000    0.040000
 -1.4648E+01  8.0625E+00  6.9090E+00
  1.8607E+01 -4.0602E+00 -1.7122E+01
  4.4994E+02 -9.5560E+02 -1.9600E+03
CT            5533   12.011000    0.145000
 -2.0085E+01 -1.3172E+01  6.2772E+00
  1.5701E+00  3.7266E+00  5.9250E-01
 -3.1684E+03 -2.0312E+03 -1.4264E+03
OH            5534    0.000000   -0.683000
 -1.9567E+01 -1.3187E+01  4.9661E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5535    1.008000    0.418000
 -1.8816E+01 -1.3749E+01  5.0803E+00
  6.8782E+00  5.2184E+00 -1.6470E+01
  2.1765E+02 -6.4704E+02 -5.2110E+03
HC            5536    1.008000    0.040000
  1.9748E+01 -1.2949E+01  6.3034E+00
  3.8238E-01 -2.4594E+00  9.3689E+00
  4.9291E+02  2.4639E+03 -1.7820E+03
HC            5537    1.008000    0.040000
 -1.9646E+01 -1.2501E+01  7.0149E+00
 -1.4121E+01 -2.9257E+00  1.6737E+01
  1.2563E+03 -1.3404E+03 -8.7920E+02
HC            5538    1.008000    0.040000
 -2.0038E+01 -1.4221E+01  6.5688E+00
  3.1042E+01 -4.7405E+00 -2.8529E+01
  1.7764E+03  1.8874E+03  8.8995E+02
CT            5539   12.011000    0.145000
 -5.3642E+00  8.7208E+00 -7.8613E+00
  1.8374E+00  8.1968E-01  8.6120E+00
  4.5913E+02 -4.7831E+02 -4.4134E+02
OH            5540    0.000000   -0.683000
 -4.5614E+00  7.5637E+00 -7.9315E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5541    1.008000    0.418000
 -3.7146E+00  7.9828E+00 -7.9122E+00
 -1.0735E+01  2.3351E+01 -1.5596E+00
  8.7044E+02 -4.8066E+03  2.4627E+03
HC            5542    1.008000    0.040000
 -6.3752E+00  8.3134E+00 -7.8718E+00
  2.3395E+00 -4.5613E-01  9.5005E+00
 -1.3055E+03  3.4448E+03 -6.8656E+02
HC            5543    1.008000    0.040000
 -5.0711E+00  9.4069E+00 -8.6560E+00
  1.9792E+01 -7.0453E+00  7.9598E+00
 -1.9020E+03 -1.1356E+03 -1.0671E+03
HC            5544    1.008000    0.040000
 -5.1647E+00  9.2504E+00 -6.9297E+00
 -9.5146E+00 -3.2833E+00  1.3558E+01
 -1.2881E+03  1.2012E+02  3.1291E+01
CT            5545   12.011000    0.145000
  5.6289E+00 -9.5762E+00 -1.7414E+01
  6.8646E+00  4.1287E+00  2.3173E+00
 -1.3397E+03  4.3236E+03  2.8946E+02
OH            5546    0.000000   -0.683000
  5.8637E+00 -9.2280E+00 -1.8760E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5547    1.008000    0.418000
  5.4556E+00 -9.9370E+00 -1.9233E+01
 -3.4799E-01 -2.4705E+00  3.9561E+00
  7.9573E+02 -3.4361E+01 -5.6371E+02
HC            5548    1.008000    0.040000
  5.7658E+00 -1.0653E+01 -1.7316E+01
  2.0088E+01  5.7602E+00  3.6023E+00
  1.1559E+03  9.1016E+02  3.0931E+03
HC            5549    1.008000    0.040000
  4.5915E+00 -9.2660E+00 -1.7288E+01
  4.3697E+00  2.3796E+00 -1.2210E+01
 -5.4311E+02 -2.4889E+03  1.2249E+03
HC            5550    1.008000    0.040000
  6.1785E+00 -8.9248E+00 -1.6734E+01
 -5.0710E-01 -1.7123E+00  1.4219E+01
  2.2248E+03 -2.8426E+03  8.8632E+02
CT            5551   12.011000    0.145000
  1.3751E+01 -7.7332E+00 -1.8469E+01
  5.9759E-01  1.6673E+00  2.0016E+00
 -3.5861E+03 -4.6724E+03 -1.5343E+02
OH            5552    0.000000   -0.683000
  1.2662E+01 -6.9137E+00 -1.8830E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5553    1.008000    0.418000
  1.2012E+01 -7.4091E+00 -1.9304E+01
  7.0703E-01  6.1293E+00 -7.5691E+00
  8.8972E+01 -1.8469E+03  2.2859E+03
HC            5554    1.008000    0.040000
  1.3305E+01 -8.3879E+00 -1.7720E+01
  1.3015E+01 -3.4573E+00  5.1736E+00
  2.7977E+03  4.4635E+02  2.4911E+03
HC            5555    1.008000    0.040000
  1.4625E+01 -7.1958E+00 -1.8099E+01
  1.5025E+00 -5.3558E+00  1.0395E+01
 -3.8317E+02 -8.4094E+02  5.8957E+02
HC            5556    1.008000    0.040000
  1.4009E+01 -8.4740E+00 -1.9225E+01
  8.9574E+00 -1.0459E+01  1.6170E+01
  1.6454E+03  1.9689E+03 -9.4270E+02
CT            5557   12.011000    0.145000
  8.6558E+00  1.1408E+01  6.5249E+00
  3.0062E+00  1.2623E-01 -5.9909E+00
  7.0330E+01  1.9841E+03 -3.2872E+03
OH            5558    0.000000   -0.683000
  7.5456E+00  1.0746E+01  5.9614E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5559    1.008000    0.418000
  7.2425E+00  1.0284E+01  6.7282E+00
 -1.2542E+01  1.0937E+01  1.9957E+00
 -1.1180E+03 -1.8617E+03 -2.0088E+03
HC            5560    1.008000    0.040000
  9.4524E+00  1.0778E+01  6.9206E+00
  7.4548E+00  7.3536E+00 -3.2356E+00
 -1.5192E+03 -9.6249E+02  6.4619E+02
HC            5561    1.008000    0.040000
  8.2616E+00  1.2002E+01  7.3491E+00
  1.4018E+01 -3.0345E-01 -2.2670E-01
  1.9323E+03  1.1055E+03 -1.2695E+02
HC            5562    1.008000    0.040000
  9.2816E+00  1.1967E+01  5.8292E+00
  2.3101E+01 -1.7059E+01 -2.7455E+00
 -2.6025E+03  1.3409E+03 -2.1063E+02
CT            5563   12.011000    0.145000
 -4.6172E+00 -2.6402E+00  1.5165E+01
  1.9937E-01  3.6205E+00 -5.3744E+00
 -1.6170E+03  1.0097E+03 -4.2948E+03
OH            5564    0.000000   -0.683000
 -5.6865E+00 -1.8635E+00  1.5657E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5565    1.008000    0.418000
 -6.4593E+00 -2.4067E+00  1.5629E+01
  4.8330E+00 -7.7221E+00  1.0063E+01
  6.9834E+02 -6.3333E+02 -5.9831E+02
HC            5566    1.008000    0.040000
 -4.5683E+00 -2.6251E+00  1.4077E+01
 -4.7644E+00  8.3692E+00 -5.5751E+00
 -1.9545E+03 -6.3368E+02 -4.2198E+02
HC            5567    1.008000    0.040000
 -4.9434E+00 -3.6258E+00  1.5497E+01
 -1.8074E+01  1.2524E+01  4.6534E+00
  4.7340E+03 -2.1253E+02  8.7462E+02
HC            5568    1.008000    0.040000
 -3.6623E+00 -2.1806E+00  1.5420E+01
  9.0020E-01  4.1902E+00 -8.9752E+00
  3.7152E+02 -2.9784E+03  2.8512E+03
CT            5569   12.011000    0.145000
  6.0176E+00  1.4540E+01  1.8868E+01
  3.5565E+00 -2.1578E+00 -1.2871E+00
  1.9294E+03  2.3550E+03 -3.9777E+02
OH            5570    0.000000   -0.683000
  5.6347E+00  1.4720E+01  1.7523E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5571    1.008000    0.418000
  5.4800E+00  1.3810E+01  1.7321E+01
  8.2218E+00 -7.1283E+00  2.2765E+01
 -3.2616E+03  1.9152E+03 -1.3789E+03
HC            5572    1.008000    0.040000
  5.1519E+00  1.4417E+01  1.9518E+01
  2.4811E+01  3.7786E+00  3.0395E+01
  2.2885E+03 -1.1062E+02  8.5036E+02
HC            5573    1.008000    0.040000
  6.6712E+00  1.5348E+01  1.9197E+01
  1.0383E+01 -1.3963E+01  1.5547E+01
 -2.0212E+03  7.1463E+02  1.6340E+03
HC            5574    1.008000    0.040000
  6.6736E+00  1.3670E+01  1.8841E+01
 -3.9690E+00 -7.7590E+00 -9.8451E+00
 -1.6520E+03 -1.0479E+03  1.4792E+03
CT            5575   12.011000    0.145000
 -1.2265E+01  1.3790E+01 -3.7631E-01
  6.4260E+00  7.0763E-02  4.9189E-01
 -2.5156E+03  7.6404E+02 -5.1471E+02
OH            5576    0.000000   -0.683000
 -1.2166E+01  1.3913E+01 -1.7774E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5577    1.008000    0.418000
 -1.1898E+01  1.4802E+01 -1.9512E+00
  3.4879E+00 -3.8193E+00 -1.5738E+01
 -1.1349E+03  2.6019E+02  2.1214E+03
HC            5578    1.008000    0.040000
 -1.1320E+01  1.3614E+01  1.3782E-01
  6.0422E+00  1.8565E+01  8.2876E+00
 -2.3137E+02 -2.7235E+02 -1.0226E+03
HC            5579    1.008000    0.040000
 -1.3010E+01  1.3041E+01 -1.0713E-01
  1.2014E+01  5.4078E-01  1.8599E+01
  1.3226E+03 -8.9637E+02  3.9819E+02
HC            5580    1.008000    0.040000
 -1.2663E+01  1.4679E+01  1.1306E-01
  1.9228E+00 -1.6617E+01  2.9469E+01
  3.4772E+02 -7.5123E+02 -4.6674E+02
CT            5581   12.011000    0.145000
  5.9376E+00  1.0939E+01 -5.5788E+00
 -2.4706E+00 -2.3667E+00 -1.1486E+00
  4.6347E+03 -1.7438E+03  2.0506E+03
OH            5582    0.000000   -0.683000
  5.3877E+00  1.0889E+01 -4.2814E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5583    1.008000    0.418000
  4.4697E+00  1.0686E+01 -4.3756E+00
  1.3629E+00 -9.4384E+00  5.7624E+00
 -1.6953E+02  2.7100E+03 -1.2699E+03
HC            5584    1.008000    0.040000
  7.0265E+00  1.0962E+01 -5.6207E+00
 -2.2534E+00  1.5269E+01  5.7621E+00
  2.7143E+02 -7.0737E+02  4.4449E+03
HC            5585    1.008000    0.040000
  5.8699E+00  1.1859E+01 -6.1592E+00
  2.7364E+00 -9.1553E+00 -1.2881E+01
 -4.9976E+03 -1.2297E+03 -3.4646E+02
HC            5586    1.008000    0.040000
  5.8095E+00  1.0055E+01 -6.2030E+00
  1.8148E+01  8.0219E+00 -2.1619E+01
 -2.9998E+03  1.3720E+03  7.1628E+02
CT            5587   12.011000    0.145000
  3.9690E+00 -8.4164E+00  3.5936E+00
 -1.7903E+00 -4.5545E+00  7.4637E+00
 -1.2082E+03 -1.8713E+03  5.0063E+03
OH            5588    0.000000   -0.683000
  2.7433E+00 -7.7289E+00  3.7085E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5589    1.008000    0.418000
  2.0367E+00 -8.2205E+00  4.0984E+00
  5.1642E+00 -1.4578E+01 -8.2361E+00
  3.0632E+03 -2.2506E+03  2.1410E+03
HC            5590    1.008000    0.040000
  4.2537E+00 -8.6757E+00  4.6133E+00
 -7.6720E+00 -2.7273E+01  3.8802E+00
  8.8734E+02 -7.9566E+02 -5.3245E+02
HC            5591    1.008000    0.040000
  4.7443E+00 -7.7899E+00  3.1527E+00
 -3.6362E+00 -1.1636E+01 -6.4012E+00
 -1.1001E+03  4.5414E+01 -6.1031E+02
HC            5592    1.008000    0.040000
  3.9312E+00 -9.3908E+00  3.1067E+00
  1.6470E+00 -1.5058E+01  2.7169E+01
 -6.6164E+02  9.8792E+02 -4.9791E+02
CT            5593   12.011000    0.145000
  3.4041E+00 -3.6011E+00  2.1568E+00
  2.6280E+00 -4.5650E+00  1.7443E+00
  8.3425E+02 -1.1977E+03  1.1937E+03
OH            5594    0.000000   -0.683000
  4.5657E+00 -2.8366E+00  2.3898E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5595    1.008000    0.418000
  4.5978E+00 -2.0642E+00  1.8464E+00
 -1.7879E+01  9.5274E+00  1.1491E+01
 -4.5941E+03 -4.0932E+02 -3.1713E+02
HC            5596    1.008000    0.040000
  3.1568E+00 -3.9266E+00  1.1463E+00
 -3.0847E+00  9.0215E+00 -1.4579E+00
  2.8359E+03  1.4637E+03 -8.6590E+02
HC            5597    1.008000    0.040000
  2.5102E+00 -3.0756E+00  2.4925E+00
  1.7981E+01  2.5982E+01 -1.6781E+00
  1.5377E+03  8.0125E+02 -3.5135E+02
HC            5598    1.008000    0.040000
  3.5358E+00 -4.5179E+00  2.7315E+00
  7.1448E+00 -7.1998E+00 -3.4003E+00
 -6.9612E+02 -5.5261E+01  2.2217E+02
CT            5599   12.011000    0.145000
  1.6117E+01 -1.8651E+01 -5.1386E+00
 -1.5123E+00  1.0604E+00 -4.1369E+00
  7.1009E+03 -5.3326E+02  1.1818E+02
OH            5600    0.000000   -0.683000
  1.6257E+01 -1.7282E+01 -4.8339E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5601    1.008000    0.418000
  1.5744E+01 -1.7146E+01 -4.0519E+00
 -3.0681E+01  5.6011E+00 -1.9368E+01
  3.0119E+03  2.6598E+03 -6.0135E+02
HC            5602    1.008000    0.040000
  1.6545E+01 -1.9247E+01 -4.3326E+00
  6.5210E-01  3.2963E+01  2.0307E+01
 -8.7566E+02  2.1616E+03  8.0876E+02
HC            5603    1.008000    0.040000
  1.6846E+01 -1.8752E+01 -5.9422E+00
  6.3391E+00  2.2075E+01 -2.7114E-01
 -1.9173E+03 -9.4621E+02 -1.2709E+03
HC            5604    1.008000    0.040000
  1.5158E+01 -1.9105E+01 -5.3906E+00
  4.5669E+00 -1.2143E+01 -4.3038E+00
 -9.1223E+01  2.6480E+03 -6.9010E+02
CT            5605   12.011000    0.145000
 -1.0657E+01 -1.3654E+01 -1.5558E+01
  3.4878E-01 -3.6879E+00 -2.0422E-01
  7.9716E+02 -4.7342E+03 -8.7428E+02
OH            5606    0.000000   -0.683000
 -9.3627E+00 -1.3558E+01 -1.5007E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5607    1.008000    0.418000
 -9.4344E+00 -1.2765E+01 -1.4499E+01
 -8.0701E+00 -2.0928E+00  2.2742E+00
  2.6869E+03  4.4020E+02 -6.7663E+02
HC            5608    1.008000    0.040000
 -1.0802E+01 -1.2905E+01 -1.6337E+01
  8.4445E+00  1.7788E+01  1.7855E+01
 -1.9244E+02 -5.7992E+02  8.5121E+02
HC            5609    1.008000    0.040000
 -1.1460E+01 -1.3711E+01 -1.4823E+01
  3.2701E+00 -3.9143E+01  1.9507E+00
  1.3072E+03  9.4243E+02 -6.1111E+02
HC            5610    1.008000    0.040000
 -1.0635E+01 -1.4687E+01 -1.5904E+01
 -2.6043E+01 -8.9353E+00  1.1328E+01
 -2.9782E+03  8.3116E+02 -1.9632E+03
CT            5611   12.011000    0.145000
  8.7294E+00  1.0821E+01 -1.4430E+01
  2.0648E+00 -4.8751E+00  4.1929E+00
  3.3188E+02  3.9505E+03 -1.7640E+03
OH            5612    0.000000   -0.683000
  8.1553E+00  1.1518E+01 -1.3348E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5613    1.008000    0.418000
  8.1226E+00  1.2433E+01 -1.3581E+01
 -2.3235E+00 -5.5556E+00 -2.4067E+01
 -7.9633E+02 -1.1428E+03 -2.9871E+03
HC            5614    1.008000    0.040000
  8.0870E+00  1.0482E+01 -1.5243E+01
  2.4435E+01 -8.4344E-01 -1.6324E+01
 -1.1287E+03  6.6980E+02  2.1580E+03
HC            5615    1.008000    0.040000
  9.3951E+00  9.9899E+00 -1.4196E+01
  6.5699E-01 -6.4925E+00  2.4883E+00
 -1.4938E+03 -2.3412E+02  2.0634E+03
HC            5616    1.008000    0.040000
  9.4093E+00  1.1484E+01 -1.4965E+01
  2.0683E+01 -1.7122E+01  1.1641E+01
 -1.0781E+02  4.4585E+02  8.4104E+02
CT            5617   12.011000    0.145000
  1.0085E+01 -1.9096E+01  7.0442E+00
 -1.1539E+00  7.5876E-01  4.0478E+00
 -2.9715E+02  3.6737E+02  1.1846E+03
OH            5618    0.000000   -0.683000
  1.0139E+01 -1.7709E+01  6.7952E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5619    1.008000    0.418000
  1.0677E+01 -1.7681E+01  6.0185E+00
 -2.4816E+01  3.1006E+01 -1.8524E+01
 -1.5495E+03  4.6801E+03  7.8289E+02
HC            5620    1.008000    0.040000
  1.0979E+01 -1.9578E+01  7.4412E+00
 -1.4888E+01 -1.0805E+01  2.2598E+01
  6.2506E+02  3.3448E+03  5.1120E+02
HC            5621    1.008000    0.040000
  9.8615E+00 -1.9706E+01  6.1689E+00
 -2.6606E+01  2.0499E+01 -4.4626E+00
 -1.0849E+03  3.4252E+03 -1.1622E+03
HC            5622    1.008000    0.040000
  9.3230E+00 -1.9388E+01  7.7668E+00
 -5.1712E+00  1.5579E+01  6.1196E+00
 -4.2127E+02  2.2272E+03  4.1094E+02
CT            5623   12.011000    0.145000
  4.5161E+00 -2.5292E+00  1.5901E+01
  2.2038E+00 -1.6129E+00 -1.9935E+00
  6.8720E+02 -7.6088E+02  9.3179E+02
OH            5624    0.000000   -0.683000
  5.4749E+00 -1.5273E+00  1.6157E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5625    1.008000    0.418000
  5.3097E+00 -1.1550E+00  1.7009E+01
 -1.1334E+01 -3.3704E+00 -5.5818E-01
 -1.2202E+01 -2.2037E+03  8.1459E+02
HC            5626    1.008000    0.040000
  3.6204E+00 -1.9656E+00  1.6163E+01
  1.8515E+01  2.3879E+01  2.5154E+00
 -9.8916E+02 -2.7439E+03 -2.9938E+03
HC            5627    1.008000    0.040000
  4.6957E+00 -3.4288E+00  1.6490E+01
  1.3126E+01 -4.2039E+00 -8.9879E+00
 -5.3372E+02  5.3839E+02  7.8714E+02
HC            5628    1.008000    0.040000
  4.6679E+00 -2.7920E+00  1.4855E+01
  3.7295E+00 -1.7009E+00 -1.7525E+00
 -3.6140E+03 -5.1788E+02 -2.9016E+02
CT            5629   12.011000    0.145000
  7.0807E+00 -1.4544E+01 -1.1428E+01
  2.2908E+00 -1.5875E+00 -4.8083E+00
 -1.5193E+02 -2.4493E+03  3.2488E+02
OH            5630    0.000000   -0.683000
  5.7943E+00 -1.4687E+01 -1.1987E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5631    1.008000    0.418000
  5.7080E+00 -1.3895E+01 -1.2494E+01
 -1.4145E+01 -9.0013E+00 -1.2517E+01
 -2.2156E+03 -1.2311E+03 -1.0884E+03
HC            5632    1.008000    0.040000
  7.4003E+00 -1.5327E+01 -1.0739E+01
  1.6288E+01 -3.9576E+00 -1.3601E+01
 -1.9369E+03 -2.5245E+03 -2.1770E+03
HC            5633    1.008000    0.040000
  7.3357E+00 -1.3711E+01 -1.0773E+01
 -6.5716E+00 -2.4607E+00 -9.1526E-02
 -5.2954E+03  2.3559E+03 -1.2034E+03
HC            5634    1.008000    0.040000
  7.9321E+00 -1.4515E+01 -1.2108E+01
  6.4004E+00 -1.5717E+01 -6.1353E-01
 -2.4087E+03 -1.0401E+03 -2.5706E+03
CT            5635   12.011000    0.145000
 -1.9641E+01  9.0230E+00  9.0482E-01
  7.2114E+00 -1.8547E+00  4.3374E-01
  7.7815E+01  1.3364E+03  8.7772E+02
OH            5636    0.000000   -0.683000
 -1.9825E+01  8.6532E+00  2.2530E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5637    1.008000    0.418000
  2.0286E+01  8.1339E+00  2.2846E+00
 -3.2633E+00  4.4065E+00 -6.6785E+00
  6.7642E+02 -8.7841E+02 -4.2899E+02
HC            5638    1.008000    0.040000
 -1.9621E+01  1.0108E+01  8.0492E-01
 -2.9821E+01  2.7009E+00  2.3459E+01
 -7.1650E+02 -1.2932E+03  1.7802E+03
HC            5639    1.008000    0.040000
  2.0422E+01  8.6629E+00  3.0616E-01
  1.1726E+01 -2.9858E+01  9.4897E+00
  6.9195E+02 -6.1031E+02  8.4575E+02
HC            5640    1.008000    0.040000
 -1.8750E+01  8.6439E+00  4.0499E-01
 -4.5950E+00  3.1328E+00 -2.6146E+01
 -1.0650E+03 -1.1432E+03  1.0400E+03
CT            5641   12.011000    0.145000
  6.7556E+00 -2.5262E+00 -1.1227E+01
 -1.5661E+00 -2.9963E+00 -4.3065E+00
  2.9870E+03 -2.1834E+03 -7.3721E+02
OH            5642    0.000000   -0.683000
  6.3363E+00 -3.5513E+00 -1.0354E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5643    1.008000    0.418000
  7.1479E+00 -3.8879E+00 -1.0006E+01
 -6.2222E+00  1.9581E+00  1.7409E+01
 -5.8135E+02 -1.0333E+03 -7.9859E+02
HC            5644    1.008000    0.040000
  5.8870E+00 -1.8692E+00 -1.1270E+01
 -1.0859E+01 -1.2586E+01  1.9440E+01
  1.9450E+03  2.5143E+02 -2.5217E+03
HC            5645    1.008000    0.040000
  7.0039E+00 -3.2355E+00 -1.2016E+01
 -6.3297E+00 -1.4892E+01  4.5732E+00
 -5.7864E+02  4.1630E+03 -3.4446E+03
HC            5646    1.008000    0.040000
  7.6888E+00 -2.1072E+00 -1.0850E+01
  7.1024E+00  1.1211E+01 -3.7882E+01
 -1.7286E+03  2.5234E+03 -1.3207E+03
CT            5647   12.011000    0.145000
  3.5142E+00 -1.8154E+01  8.3173E+00
 -9.4539E-01 -3.9802E+00 -2.2201E+00
 -8.2083E+02 -2.3484E+03 -4.9541E+03
OH            5648    0.000000   -0.683000
  2.1387E+00 -1.7848E+01  8.3635E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5649    1.008000    0.418000
  1.8085E+00 -1.8624E+01  8.7900E+00
  7.9734E+00  7.0386E+00  2.0197E+01
 -9.2331E+02  1.0009E+03 -1.6893E+02
HC            5650    1.008000    0.040000
  4.0127E+00 -1.7326E+01  7.8133E+00
 -1.2693E+01 -3.0705E+00 -1.2845E+01
  1.8194E+03  9.3578E+02  4.5149E+03
HC            5651    1.008000    0.040000
  3.7192E+00 -1.8931E+01  7.5811E+00
  3.2879E+00  2.5629E+00 -8.0767E+00
 -1.0482E+03 -9.5896E+02  3.2459E+02
HC            5652    1.008000    0.040000
  3.8474E+00 -1.8637E+01  9.2359E+00
  2.0997E+01 -2.8450E+01 -2.1465E+01
  9.1851E+02  4.4822E+03 -3.6368E+02
CT            5653   12.011000    0.145000
  9.2782E+00  1.8947E+01  1.3351E+01
  3.3011E+00  1.0758E+00 -4.3655E+00
 -2.4943E+03 -1.8132E+03 -7.7710E+02
OH            5654    0.000000   -0.683000
  8.4440E+00  2.0026E+01  1.2993E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5655    1.008000    0.418000
  8.9488E+00 -2.0077E+01  1.3043E+01
 -1.5584E+01  9.6116E+00  1.5580E+01
  1.1329E+03 -1.6635E+03 -1.8408E+03
HC            5656    1.008000    0.040000
  8.6022E+00  1.8103E+01  1.3210E+01
 -9.0843E+00  1.0085E+01 -6.2140E-01
  2.3709E+03 -1.3132E+03 -2.1284E+03
HC            5657    1.008000    0.040000
  9.5380E+00  1.8796E+01  1.4399E+01
 -9.6633E+00 -1.0180E+01 -2.4900E+00
 -1.9825E+02  2.4112E+03 -1.0866E+02
HC            5658    1.008000    0.040000
  1.0174E+01  1.8984E+01  1.2731E+01
  5.4963E+00  9.2917E+00 -8.3806E-01
 -2.8998E+02 -2.0946E+03 -4.4729E+01
CT            5659   12.011000    0.145000
 -3.0538E+00 -3.1269E+00 -1.5681E+01
  1.2735E+00  1.9774E+00  7.8950E-01
  2.7217E+03 -1.1541E+03 -1.5084E+03
OH            5660    0.000000   -0.683000
 -2.6817E+00 -3.8337E+00 -1.4520E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5661    1.008000    0.418000
 -2.2575E+00 -4.6452E+00 -1.4753E+01
 -2.3999E+01 -1.1664E+01 -6.2717E+00
 -4.6134E+02  1.3470E+03 -2.3870E+03
HC            5662    1.008000    0.040000
 -2.1536E+00 -2.7216E+00 -1.6143E+01
 -4.0387E+00  4.9772E+00 -7.1467E+00
 -7.1012E+02  1.9371E+03 -1.9130E+01
HC            5663    1.008000    0.040000
 -3.7339E+00 -2.3997E+00 -1.5238E+01
 -1.4249E+00 -1.3466E+01  2.3709E+01
 -9.1077E+02 -3.1790E+02 -4.1031E+03
HC            5664    1.008000    0.040000
 -3.3908E+00 -3.9167E+00 -1.6353E+01
  5.1764E+00 -3.0615E+00  4.6742E+00
 -3.7146E+03  2.1657E+03 -4.9577E+02
CT            5665   12.011000    0.145000
 -6.9784E+00  1.5095E+01 -1.2696E+01
  1.2898E+00  2.0918E+00  7.9453E-01
 -6.3616E+02 -2.7057E+03 -4.1635E+03
OH            5666    0.000000   -0.683000
 -8.0610E+00  1.5909E+01 -1.3089E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5667    1.008000    0.418000
 -8.8434E+00  1.5390E+01 -1.2984E+01
  4.5591E+00 -7.1542E+00 -7.2353E-01
  1.2575E+03 -1.7726E+03  4.9840E+02
HC            5668    1.008000    0.040000
 -7.5330E+00  1.4196E+01 -1.2428E+01
  8.7161E+00 -1.4370E+00  4.6224E+00
  2.4105E+03 -1.8352E+02  4.9002E+03
HC            5669    1.008000    0.040000
 -6.4267E+00  1.5667E+01 -1.1949E+01
 -1.0047E+00 -2.2230E+01  2.2531E+01
  7.9559E+02 -4.1868E+03  1.2508E+03
HC            5670    1.008000    0.040000
 -6.4490E+00  1.4723E+01 -1.3573E+01
 -1.1176E+01 -1.5345E+01  1.5997E-01
  1.4752E+03  1.5197E+03  6.0209E+02
CT            5671   12.011000    0.145000
  6.9489E-01  1.3959E+01  8.4174E+00
  2.4814E-01 -7.3128E-03 -1.7997E+00
  1.5007E+02 -5.2248E+01 -3.1379E+03
OH            5672    0.000000   -0.683000
  8.0615E-01  1.2553E+01  8.4402E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5673    1.008000    0.418000
  1.7074E+00  1.2350E+01  8.2420E+00
 -3.7041E+00 -4.7801E+00 -1.2965E+01
  2.6239E+02  9.5433E+02  1.9121E+03
HC            5674    1.008000    0.040000
 -3.2839E-01  1.4334E+01  8.4140E+00
  7.3834E+00  2.1315E+01  1.0708E+01
  3.6921E+02 -4.4166E+02  3.3182E+03
HC            5675    1.008000    0.040000
  1.0843E+00  1.4179E+01  7.4233E+00
  1.3158E+01  2.6662E-01  3.1269E+00
  2.6211E+03  2.8289E+03  1.4421E+03
HC            5676    1.008000    0.040000
  1.3048E+00  1.4255E+01  9.2706E+00
 -9.9684E+00  1.5913E+01  3.9140E-01
 -1.0446E+03  4.2915E+03 -1.1147E+03
CT            5677   12.011000    0.145000
 -1.1517E+01  1.0093E+00 -1.1068E+01
 -3.0887E-01 -7.7354E-01  4.8792E+00
  3.4477E+03  3.3066E+03  1.4923E+02
OH            5678    0.000000   -0.683000
 -1.0495E+01  4.1994E-02 -1.1162E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5679    1.008000    0.418000
 -9.7130E+00  1.7760E-01 -1.0649E+01
  4.2087E+00 -1.6716E+00 -5.8672E+00
 -2.0977E+03  3.4284E+03  1.9065E+03
HC            5680    1.008000    0.040000
 -1.1290E+01  1.8897E+00 -1.1669E+01
  1.9796E+01 -1.4992E+01 -9.7139E+00
  1.7676E+03 -1.9263E+03 -1.8337E+03
HC            5681    1.008000    0.040000
 -1.1633E+01  1.4945E+00 -1.0099E+01
  1.3767E+00 -1.0996E+01  1.0343E+01
  2.0572E+02 -3.6346E+03  1.9884E+03
HC            5682    1.008000    0.040000
 -1.2493E+01  6.6193E-01 -1.1407E+01
 -7.2725E+00  1.0225E+01  1.2962E+01
  6.3285E+02 -3.6876E+02  4.5776E+02
CT            5683   12.011000    0.145000
 -1.3519E+01 -1.0190E+01 -1.1267E+01
  5.1866E+00 -3.5381E+00  3.8758E+00
 -2.3293E+03  1.8688E+03  3.2989E+03
OH            5684    0.000000   -0.683000
 -1.2765E+01 -9.0002E+00 -1.1203E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5685    1.008000    0.418000
 -1.3272E+01 -8.3350E+00 -1.0762E+01
 -1.9268E+00 -2.4972E+01  4.0659E+01
 -5.5884E+02 -3.8840E+03  1.2955E+03
HC            5686    1.008000    0.040000
 -1.4596E+01 -1.0032E+01 -1.1218E+01
  3.9001E+00 -8.1864E+00 -6.6190E+00
  1.6989E+02  1.7468E+03 -4.5549E+01
HC            5687    1.008000    0.040000
 -1.3249E+01 -1.0814E+01 -1.0414E+01
  2.6902E+01 -8.8904E+00 -6.2069E+00
  6.5634E+02 -1.0142E+03 -1.3774E+03
HC            5688    1.008000    0.040000
 -1.3384E+01 -1.0711E+01 -1.2215E+01
  9.5730E+00 -1.0042E+01  7.9891E+00
  1.9869E+03 -1.7114E+03  1.6028E+03
CT            5689   12.011000    0.145000
  1.5709E+01 -1.0784E+01  1.8112E+01
  4.4240E+00 -7.5748E-02  5.1971E-01
  1.7906E+03  8.6935E+02  1.2274E+03
OH            5690    0.000000   -0.683000
  1.5819E+01 -9.6334E+00  1.7303E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5691    1.008000    0.418000
  1.5700E+01 -8.7919E+00  1.7716E+01
  1.2820E+01  3.6347E+00 -3.2308E+00
 -1.1795E+03 -2.3444E+03  3.5435E+03
HC            5692    1.008000    0.040000
  1.5985E+01 -1.1639E+01  1.7494E+01
  6.6095E-01  4.1031E+00 -7.0958E+00
 -8.8531E+02  3.4903E+02 -6.6037E+02
HC            5693    1.008000    0.040000
  1.4720E+01 -1.1029E+01  1.8499E+01
  1.0358E+00 -1.7806E+01 -1.7657E+01
  1.4027E+02  1.6864E+03 -7.6048E+02
HC            5694    1.008000    0.040000
  1.6453E+01 -1.0809E+01  1.8908E+01
  1.1187E+01  3.0289E+00 -5.5811E+00
 -3.0559E+02  1.7013E+03  4.5493E+02
CT            5695   12.011000    0.145000
  2.0260E+01  2.0111E+01 -5.8567E+00
  2.1378E+00 -1.2917E+00  1.0219E+00
  2.9465E+03 -4.7300E+00  1.9008E+03
OH            5696    0.000000   -0.683000
 -1.9886E+01 -2.0436E+01 -6.9947E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5697    1.008000    0.418000
 -2.0445E+01 -1.9787E+01 -7.3950E+00
  4.9720E+00  1.4265E+00 -4.7534E+00
  2.5667E+03  1.6240E+03 -9.7334E+02
HC            5698    1.008000    0.040000
  1.9812E+01  1.9118E+01 -5.8846E+00
 -2.3222E+00 -2.3763E-01  2.0621E+01
  4.2194E+02  3.9755E+02 -4.2998E+02
HC            5699    1.008000    0.040000
  1.9475E+01 -2.0078E+01 -5.5998E+00
 -9.5979E-01  5.6207E+00 -2.4768E+01
  3.8485E+02  3.6215E+02 -2.2900E+03
HC            5700    1.008000    0.040000
 -1.9952E+01  2.0113E+01 -5.0114E+00
  9.4761E+00 -1.8417E+01 -4.4623E+00
  5.2884E+02 -1.4103E+03 -3.8332E+02
CT            5701   12.011000    0.145000
 -6.7182E+00  1.7305E+01  1.6658E+01
 -4.9486E+00  5.0866E-01 -3.3180E+00
 -2.2553E+03 -1.5578E+03  4.6522E+03
OH            5702    0.000000   -0.683000
 -6.6363E+00  1.5935E+01  1.6337E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5703    1.008000    0.418000
 -5.8516E+00  1.5972E+01  1.5812E+01
 -4.4487E+00 -1.4238E+01 -8.2101E+00
  7.8312E+01 -5.7625E+03 -2.4773E+02
HC            5704    1.008000    0.040000
 -5.7561E+00  1.7565E+01  1.7100E+01
 -3.2528E-01 -6.9755E+00 -8.7445E+00
 -5.3839E+01  4.2843E+02 -4.7198E+02
HC            5705    1.008000    0.040000
 -7.4587E+00  1.7538E+01  1.7424E+01
 -8.1433E+00  2.4133E+01 -1.2743E+01
 -4.8667E+02 -9.8597E+02 -5.6092E+02
HC            5706    1.008000    0.040000
 -6.9435E+00  1.8008E+01  1.5856E+01
 -1.8887E+01 -2.5261E+01 -2.3536E+01
  2.2231E+02 -3.1708E+03 -1.2957E+03
CT            5707   12.011000    0.145000
 -8.0911E+00 -1.6061E+01  9.8545E+00
  3.4980E+00  6.7758E-01 -2.7876E+00
  6.1964E+03  5.6540E+03  2.5135E+02
OH            5708    0.000000   -0.683000
 -7.3043E+00 -1.6931E+01  1.0638E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5709    1.008000    0.418000
 -6.3784E+00 -1.6762E+01  1.0553E+01
 -8.1076E-01  7.7792E-01 -8.0635E+00
 -2.6021E+02  5.4937E+02 -1.4913E+03
HC            5710    1.008000    0.040000
 -7.5865E+00 -1.5125E+01  9.6159E+00
  4.2998E+00 -5.8369E+00 -2.9920E+01
 -9.5448E+01  5.4823E+02  4.5517E+03
HC            5711    1.008000    0.040000
 -9.0713E+00 -1.5845E+01  1.0279E+01
 -7.3584E+00  6.4696E-02 -2.5972E+01
 -1.3331E+02 -1.0402E+03 -1.8219E+03
HC            5712    1.008000    0.040000
 -8.0622E+00 -1.6270E+01  8.7850E+00
 -2.4643E+00 -2.9830E-02 -2.8443E+00
 -4.1556E+03 -1.8114E+03  3.1467E+02
CT            5713   12.011000    0.145000
  6.7669E+00  1.9230E+01  7.0092E+00
  4.4889E+00 -2.7123E-01  1.0933E+00
 -7.1192E+02  3.7000E+03  3.5709E+03
OH            5714    0.000000   -0.683000
  7.0502E+00  2.0253E+01  6.0802E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5715    1.008000    0.418000
  6.1933E+00 -2.0363E+01  5.8011E+00
  4.2382E+00  9.5097E-01 -1.2689E+01
  7.7939E+02  1.8723E+03  1.4808E+02
HC            5716    1.008000    0.040000
  6.2078E+00  1.9656E+01  7.8427E+00
 -3.6588E+00  3.5622E+01 -2.0498E+01
  2.0661E+03  9.6579E+02 -6.9206E+02
HC            5717    1.008000    0.040000
  7.6844E+00  1.8728E+01  7.3160E+00
 -8.8876E+00 -3.1621E+01 -6.2583E+00
 -2.3168E+03 -2.4101E+03  4.9936E+01
HC            5718    1.008000    0.040000
  5.9734E+00  1.8635E+01  6.5575E+00
  5.0736E+00  5.7444E+00 -8.1318E+00
  4.6767E+03 -4.2191E+03 -1.5081E+03
CT            5719   12.011000    0.145000
 -1.8100E+00 -1.9002E+01 -3.2657E+00
 -1.2585E+00  7.6627E+00 -4.2839E+00
 -1.3809E+03  1.1629E+03  1.4271E+02
OH            5720    0.000000   -0.683000
 -1.7606E+00 -1.8316E+01 -2.0348E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5721    1.008000    0.418000
 -8.8373E-01 -1.7968E+01 -2.0898E+00
  5.2406E+00 -9.5654E+00  1.6121E+01
 -8.2686E+02  1.6440E+03  2.7712E+03
HC            5722    1.008000    0.040000
 -8.9827E-01 -1.8986E+01 -3.8628E+00
 -7.0869E-01  5.3290E+00 -3.5155E+00
  1.1622E+03  1.3084E+03  2.0334E+03
HC            5723    1.008000    0.040000
 -2.5247E+00 -1.8493E+01 -3.9122E+00
  6.6874E+00  4.0499E+01  1.0688E+01
 -7.4278E+02 -1.5811E+03  1.7421E+03
HC            5724    1.008000    0.040000
 -2.0265E+00 -2.0061E+01 -3.1296E+00
 -2.6024E+01  1.0769E+01 -1.4195E+01
 -1.6467E+03  1.0661E+03  7.1795E+02
CT            5725   12.011000    0.145000
  5.1019E+00 -2.6423E+00 -1.6963E+01
  5.0515E+00  3.3020E+00  1.0117E+00
 -3.0823E+03  4.4435E+03 -4.0072E+03
OH            5726    0.000000   -0.683000
  5.6819E+00 -3.1838E+00 -1.8128E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5727    1.008000    0.418000
  5.4886E+00 -4.1054E+00 -1.8049E+01
 -2.4825E+00  5.3828E-01  2.9028E-01
  8.5656E+02 -8.2967E+01  9.0678E+02
HC            5728    1.008000    0.040000
  5.6057E+00 -2.6847E+00 -1.5997E+01
 -1.0195E+01  1.4108E+01  9.8825E+00
 -1.8720E+02 -2.4970E+03 -1.1265E+03
HC            5729    1.008000    0.040000
  4.0536E+00 -2.9215E+00 -1.6857E+01
 -2.6995E+00  2.9045E+01 -1.0061E+00
  8.1655E+02 -2.5671E+02  6.8155E+02
HC            5730    1.008000    0.040000
  5.0008E+00 -1.6072E+00 -1.7289E+01
 -1.8243E+01 -1.5832E+00 -9.3338E+00
 -1.7731E+02  3.4401E+02  1.9762E+03
CT            5731   12.011000    0.145000
 -9.4308E+00 -8.3420E+00 -1.6906E+01
 -1.8746E+00  2.1700E+00 -7.2482E-01
  1.6232E+03  2.1827E+03  1.0878E+02
OH            5732    0.000000   -0.683000
 -9.0760E+00 -8.4926E+00 -1.8262E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5733    1.008000    0.418000
 -9.8283E+00 -8.3937E+00 -1.8826E+01
  4.2567E+00  2.8483E+00 -5.2824E+00
 -8.9456E+01  6.4965E+02  3.3457E+02
HC            5734    1.008000    0.040000
 -9.7224E+00 -7.2943E+00 -1.6833E+01
  8.8903E+00  7.5227E+00 -2.4748E+01
  1.0054E+03 -1.8390E+02 -3.5672E+02
HC            5735    1.008000    0.040000
 -8.5185E+00 -8.4262E+00 -1.6316E+01
 -6.9528E+00  4.5051E+00  7.6236E+00
 -5.4529E+02 -6.9117E+02  8.1394E+02
HC            5736    1.008000    0.040000
 -1.0202E+01 -8.9908E+00 -1.6490E+01
  1.0685E+00  4.8147E+00  9.1317E+00
  4.7313E+02 -6.6406E+02 -1.0875E+03
CT            5737   12.011000    0.145000
  2.5709E+00 -6.3077E+00 -7.6302E+00
 -1.4004E+00 -6.0445E+00  1.3682E+00
 -6.9617E+02 -1.0024E+03  1.2979E+03
OH            5738    0.000000   -0.683000
  3.6579E+00 -6.3498E+00 -6.7330E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5739    1.008000    0.418000
  4.0724E+00 -5.5102E+00 -6.8606E+00
 -1.9561E+01  1.0812E+01  3.5768E+00
 -6.5780E+02 -3.2867E+01  1.1968E+03
HC            5740    1.008000    0.040000
  1.6540E+00 -5.9132E+00 -7.1924E+00
 -1.3187E+01 -1.8056E+01 -1.1471E+01
  1.0840E+03  1.1984E+03  4.4871E+01
HC            5741    1.008000    0.040000
  2.2094E+00 -7.2363E+00 -8.0720E+00
 -1.0208E+01  8.3938E+00 -2.3853E+01
  2.1122E+03 -1.5559E+02  9.9648E+02
HC            5742    1.008000    0.040000
  2.8604E+00 -5.6861E+00 -8.4775E+00
 -7.1630E+00 -2.4281E+00  1.9977E+00
 -9.3592E+02 -4.8507E+02 -4.4189E+02
CT            5743   12.011000    0.145000
  1.6018E+01 -1.4281E+01  1.8908E+01
 -2.4769E-01 -2.9815E-01  1.1464E+00
  3.5065E+03  5.9565E+03 -2.2920E+03
OH            5744    0.000000   -0.683000
  1.7248E+01 -1.4964E+01  1.8995E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5745    1.008000    0.418000
  1.7026E+01 -1.5785E+01  1.8584E+01
 -2.2258E+00  7.0377E-01 -2.1513E-01
  8.2963E+02 -2.8821E+02  1.6448E+02
HC            5746    1.008000    0.040000
  1.6211E+01 -1.3896E+01  1.7907E+01
  1.7851E+01  1.3049E+01  9.2164E+00
 -3.4093E+03  7.9033E+02  4.9042E+01
HC            5747    1.008000    0.040000
  1.6018E+01 -1.3411E+01  1.9565E+01
 -2.5698E+01  4.0065E+00 -3.4999E+00
 -7.2929E+02 -1.7610E+02 -2.1498E+02
HC            5748    1.008000    0.040000
  1.5013E+01 -1.4679E+01  1.9053E+01
 -3.4227E+00  1.7510E+01  4.2007E+01
  3.7749E+03 -2.5004E+03  4.8161E+02
CT            5749   12.011000    0.145000
 -1.5745E+01 -5.2935E+00  5.4769E+00
  2.8797E-02  6.8022E+00  5.5085E+00
 -1.2606E+03  1.8977E+03 -4.5442E+02
OH            5750    0.000000   -0.683000
 -1.7062E+01 -5.6126E+00  5.8639E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5751    1.008000    0.418000
 -1.6995E+01 -5.6175E+00  6.8065E+00
  1.6583E+01 -6.3081E-01 -9.0167E-01
 -1.8762E+03  1.3073E+03 -2.9943E+02
HC            5752    1.008000    0.040000
 -1.5515E+01 -4.2902E+00  5.8358E+00
  1.2533E+01  6.8637E+00 -2.0716E+00
  1.7954E+03 -7.5726E+02  8.6521E+02
HC            5753    1.008000    0.040000
 -1.5685E+01 -5.2324E+00  4.3902E+00
 -1.3398E+01  6.9082E+00  4.6109E+00
  4.8400E+02 -1.5749E+03  1.0123E+02
HC            5754    1.008000    0.040000
 -1.5150E+01 -6.0894E+00  5.9256E+00
 -6.7437E+00 -2.9973E-01  2.1227E+00
  2.1631E+03  1.4589E+03 -1.2009E+03
CT            5755   12.011000    0.145000
 -1.6946E+01  2.0285E+01 -8.1914E+00
 -2.2802E-03 -4.0213E-03  2.3870E+00
 -3.5654E+02  5.1686E+02 -6.1280E+03
OH            5756    0.000000   -0.683000
 -1.5921E+01 -1.9647E+01 -8.1912E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5757    1.008000    0.418000
 -1.6339E+01 -1.8878E+01 -7.8347E+00
 -2.3285E+01  6.9028E-01 -2.5427E+01
 -4.8515E+02 -7.4023E+01 -2.8725E+03
HC            5758    1.008000    0.040000
 -1.6476E+01  1.9567E+01 -8.8637E+00
  2.9444E+01  1.3032E+01  7.4807E+00
 -2.6117E+03 -1.9889E+03  2.0272E+03
HC            5759    1.008000    0.040000
 -1.7732E+01 -2.0064E+01 -8.7077E+00
  3.7377E-01 -6.2952E+00 -5.0946E+00
 -1.9004E+03 -2.2025E+03  8.2968E+01
HC            5760    1.008000    0.040000
 -1.7310E+01  1.9901E+01 -7.2381E+00
 -1.4114E+01 -1.2661E+01 -7.6048E+00
  1.0787E+03 -9.1224E+01 -6.8524E+02
CT            5761   12.011000    0.145000
  4.5975E+00  1.3896E+01 -8.3581E+00
  2.9391E+00 -1.6740E-01 -2.5486E+00
  4.1513E+03 -9.3958E+02 -5.8221E+03
OH            5762    0.000000   -0.683000
  4.2708E+00  1.5190E+01 -8.8139E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5763    1.008000    0.418000
  3.3370E+00  1.5295E+01 -8.7141E+00
  1.3152E+00  6.8532E+00  5.9475E+00
  3.2156E+02  4.3238E+02  2.2739E+03
HC            5764    1.008000    0.040000
  3.8512E+00  1.3112E+01 -8.4883E+00
 -8.4794E-01 -5.0031E+00  3.6348E+01
 -7.2371E+02  1.6084E+03  3.3402E+03
HC            5765    1.008000    0.040000
  5.1889E+00  1.3876E+01 -7.4426E+00
 -6.2902E+00  2.7205E+01  4.9855E+00
 -3.4469E+03  5.6906E+02  1.2449E+03
HC            5766    1.008000    0.040000
  5.3893E+00  1.3552E+01 -9.0236E+00
  2.6020E+01  7.6544E+00  1.9262E+01
  3.6299E+02  6.7788E+02  5.8447E+02
CT            5767   12.011000    0.145000
  1.5638E+01 -1.7015E+01  2.1118E+00
  4.9090E-02  9.2261E-01  1.3757E+00
  7.6012E+01  2.1529E+02  2.0063E+03
OH            5768    0.000000   -0.683000
  1.7047E+01 -1.7032E+01  2.0711E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5769    1.008000    0.418000
  1.7393E+01 -1.6418E+01  2.7009E+00
  1.0890E+01 -1.2123E+01  6.3404E+00
 -1.9373E+03 -2.4150E+02  7.0769E+02
HC            5770    1.008000    0.040000
  1.5135E+01 -1.7828E+01  1.5884E+00
  4.6240E+00 -1.5577E+01  2.1299E+01
  2.1179E+03 -7.8449E+02  5.0910E+02
HC            5771    1.008000    0.040000
  1.5125E+01 -1.6093E+01  1.8396E+00
  3.6815E+00  6.5828E+00  1.3030E+01
  2.9105E+03  1.1627E+03 -7.7470E+02
HC            5772    1.008000    0.040000
  1.5364E+01 -1.7134E+01  3.1601E+00
  2.3878E+00 -3.2655E+00  1.5316E+00
  5.8895E+02 -1.4606E+03  1.5405E+02
CT            5773   12.011000    0.145000
 -2.0169E+00 -6.2913E+00 -6.1581E+00
  9.0940E-01 -7.6886E+00 -2.8462E+00
  5.6961E+02 -3.6748E+03 -6.4292E+02
OH            5774    0.000000   -0.683000
 -8.6624E-01 -6.4427E+00 -5.3574E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5775    1.008000    0.418000
 -6.5838E-01 -5.7547E+00 -4.7438E+00
  1.4000E+01  2.8340E+00 -7.4951E+00
 -2.9883E+03  1.3507E+03 -1.1599E+03
HC            5776    1.008000    0.040000
 -2.3256E+00 -5.2921E+00 -6.4657E+00
  1.0769E+01 -6.0343E+00 -7.7691E+00
  1.1675E+03  6.2056E+02  2.2818E+03
HC            5777    1.008000    0.040000
 -2.8136E+00 -6.8969E+00 -5.7261E+00
 -4.7197E-01 -4.8204E+00 -1.3438E+00
 -9.1236E+02  2.1614E+03  1.6650E+03
HC            5778    1.008000    0.040000
 -1.8655E+00 -6.7989E+00 -7.1107E+00
  1.0492E+01  3.8146E+00 -7.7124E+00
  1.3692E+03  4.8141E+02 -8.9599E+01
CT            5779   12.011000    0.145000
 -5.7272E+00 -6.5326E+00 -7.3942E+00
  2.8011E+00  7.1115E+00 -1.3236E+00
  7.0529E+02  1.5463E+03  1.9132E+02
OH            5780    0.000000   -0.683000
 -5.3350E+00 -6.4440E+00 -6.0427E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5781    1.008000    0.418000
 -4.9079E+00 -5.6123E+00 -5.9054E+00
  1.2547E+00 -2.7448E+00  1.4273E+01
 -2.0541E+03  5.1162E+02  2.4948E+03
HC            5782    1.008000    0.040000
 -6.2310E+00 -7.4803E+00 -7.5840E+00
  1.2048E+01  5.5979E+00 -2.0765E+01
  2.4832E+03 -5.8096E+02 -1.3740E+03
HC            5783    1.008000    0.040000
 -4.8265E+00 -6.4000E+00 -7.9936E+00
 -1.1009E+01 -1.7868E+01 -3.0369E+01
 -1.7798E+03 -3.1750E+03 -1.6826E+03
HC            5784    1.008000    0.040000
 -6.4301E+00 -5.7754E+00 -7.7416E+00
 -2.8065E+00  9.4844E+00  1.4380E+01
  1.3982E+02  1.0123E+03  2.2153E+03
CT            5785   12.011000    0.145000
  3.5819E-01 -9.2083E+00 -9.2142E+00
 -7.3196E-02 -7.7673E-02  2.6099E+00
 -3.3751E+03  8.4931E+02  2.1415E+02
OH            5786    0.000000   -0.683000
 -1.1349E-02 -1.0568E+01 -9.2676E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5787    1.008000    0.418000
 -4.4291E-01 -1.0816E+01 -8.4642E+00
 -1.5885E+01 -5.3047E-02 -8.1525E+00
 -1.2709E+03  1.6718E+03 -4.5989E+02
HC            5788    1.008000    0.040000
  1.2378E+00 -9.0706E+00 -9.8430E+00
  7.1970E+00 -2.1191E+01  7.3247E+00
 -5.4617E+02  9.4676E+02  7.8800E+02
HC            5789    1.008000    0.040000
  4.8347E-01 -8.8807E+00 -8.1822E+00
 -4.7046E+00 -3.4280E+00  4.2702E+00
  1.0825E+03 -3.3834E+01 -1.7715E+02
HC            5790    1.008000    0.040000
 -5.1417E-01 -8.6851E+00 -9.6057E+00
  1.0540E+01  2.0407E+01  4.9645E+00
  1.3367E+03  2.2276E+03  8.3082E+01
CT            5791   12.011000    0.145000
 -1.6331E+00  3.0096E+00  1.9005E+01
 -4.5207E-01  1.9742E+00  1.9762E-01
 -7.5074E+02 -1.8089E+03 -7.4021E+02
OH            5792    0.000000   -0.683000
 -1.0753E+00  3.2623E+00  1.7734E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5793    1.008000    0.418000
 -1.5992E-01  3.0275E+00  1.7738E+01
 -2.1414E+00 -1.1725E+01 -2.3597E+01
 -9.1246E+02 -8.1092E+02 -1.7224E+02
HC            5794    1.008000    0.040000
 -9.2620E-01  2.9077E+00  1.9828E+01
  7.0220E+00  1.7286E+01 -3.9512E+00
  2.1153E+03  3.3884E+02 -2.1131E+03
HC            5795    1.008000    0.040000
 -2.1816E+00  2.0710E+00  1.8925E+01
 -1.5637E+01  1.0684E+01 -1.7482E+00
 -5.4352E+02  3.7232E+02  4.7147E+02
HC            5796    1.008000    0.040000
 -2.3196E+00  3.7930E+00  1.9326E+01
  6.8907E+00  1.4837E+01 -1.4164E+01
 -6.0587E+01  1.4878E+02 -1.7887E+03
CT            5797   12.011000    0.145000
  2.3640E+00  1.8288E+01 -7.8046E+00
 -2.1263E+00 -2.2385E+00 -2.1513E+00
  8.2345E+01  7.8995E+02 -1.2696E+02
OH            5798    0.000000   -0.683000
  1.2116E+00  1.8740E+01 -7.1297E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5799    1.008000    0.418000
  1.3438E+00  1.8576E+01 -6.2084E+00
 -6.5253E+00 -9.1419E+00 -5.4930E-01
 -9.9263E+02 -8.3403E+02 -8.6243E+01
HC            5800    1.008000    0.040000
  3.1280E+00  1.9065E+01 -7.8054E+00
  7.5386E+00 -1.1160E+01  1.4087E+01
  1.2103E+03 -1.3665E+03  2.5463E+03
HC            5801    1.008000    0.040000
  2.2253E+00  1.8073E+01 -8.8643E+00
  8.4579E+00 -1.4263E-01 -4.0739E+00
 -1.2815E+03 -1.8584E+03  7.4513E+02
HC            5802    1.008000    0.040000
  2.6361E+00  1.7395E+01 -7.2419E+00
  1.2183E+01 -1.4563E+01 -2.6903E+01
  3.4510E+03  5.3424E+01 -2.6788E+03
CT            5803   12.011000    0.145000
  3.9298E+00  1.7754E+01 -1.6932E+01
 -4.7489E-01  6.2503E-01  3.2175E-01
  3.6359E+02  3.1444E+01  2.1935E+02
OH            5804    0.000000   -0.683000
  4.4558E+00  1.8645E+01 -1.7889E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5805    1.008000    0.418000
  3.8909E+00  1.8715E+01 -1.8644E+01
  1.6192E+01 -5.0452E+00 -1.3201E+01
  8.2358E+02  7.5533E+02  2.4771E+01
HC            5806    1.008000    0.040000
  4.0757E+00  1.6770E+01 -1.7377E+01
  6.2252E+00  5.0884E+00 -7.6261E+00
 -1.2396E+03 -6.1537E+02  1.4803E+03
HC            5807    1.008000    0.040000
  2.8944E+00  1.7963E+01 -1.6663E+01
  5.3060E-01  1.4958E+01 -6.0227E+00
 -1.9079E+02  1.1752E+01 -1.6308E+03
HC            5808    1.008000    0.040000
  4.4357E+00  1.7849E+01 -1.5971E+01
  1.5445E+00  1.6322E+01 -2.0238E+00
  1.7119E+03 -4.0107E+02 -1.1054E+03
CT            5809   12.011000    0.145000
  1.3400E+01 -1.6018E+01 -1.0135E+01
 -1.4369E+00  2.3786E+00 -2.3862E+00
  2.4706E+03 -4.5067E+03  1.0765E+03
OH            5810    0.000000   -0.683000
  1.2184E+01 -1.6730E+01 -1.0107E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5811    1.008000    0.418000
  1.1576E+01 -1.6166E+01 -9.6534E+00
  1.7117E+01  7.1468E-01  2.3992E+01
  1.0926E+03 -7.6426E+02  8.0313E+02
HC            5812    1.008000    0.040000
  1.3345E+01 -1.4977E+01 -1.0454E+01
 -2.8543E+00  6.1739E+00  9.7618E+00
 -2.0103E+02 -4.5989E+02  3.6958E+02
HC            5813    1.008000    0.040000
  1.4137E+01 -1.6579E+01 -1.0711E+01
  3.6149E+01  2.1011E+01  2.3347E+01
  4.5273E+02  3.1302E+03  6.5282E+02
HC            5814    1.008000    0.040000
  1.3841E+01 -1.6128E+01 -9.1442E+00
  1.4156E+01  4.9035E+00 -8.7407E+00
 -1.2542E+00  2.6467E+03  2.1835E+02
CT            5815   12.011000    0.145000
  1.1789E+01  5.5404E+00 -1.7648E+01
  1.5556E+00 -1.1428E+00  5.5327E+00
 -6.1328E+03  1.5161E+03 -2.7012E+01
OH            5816    0.000000   -0.683000
  1.1383E+01  4.2008E+00 -1.7817E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5817    1.008000    0.418000
  1.2180E+01  3.7285E+00 -1.7630E+01
  1.7094E+01  8.9253E+00 -3.9822E+01
 -3.1613E+03  3.9822E+02  1.4654E+03
HC            5818    1.008000    0.040000
  1.2729E+01  5.7375E+00 -1.8164E+01
  1.3467E+01 -9.3290E+00  2.3090E+01
  2.2720E+02  4.2696E+02  2.1507E+03
HC            5819    1.008000    0.040000
  1.1747E+01  5.6831E+00 -1.6568E+01
 -4.3248E+00 -1.4061E+01  7.2017E+00
  4.0444E+03  1.2256E+03 -3.5657E+02
HC            5820    1.008000    0.040000
  1.1002E+01  6.1551E+00 -1.8084E+01
  1.5161E+01 -6.2863E+00 -2.9655E+01
  1.5757E+03  9.1820E+01 -1.0560E+03
CT            5821   12.011000    0.145000
 -1.1815E+01  8.5319E+00  2.0250E+00
 -1.6015E+00  7.2255E-01  5.1823E+00
  9.9058E+02 -2.5262E+03 -3.1704E+03
OH            5822    0.000000   -0.683000
 -1.0487E+01  8.3356E+00  2.4569E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5823    1.008000    0.418000
 -9.9493E+00  9.0783E+00  2.2275E+00
  2.4632E+01 -1.9327E+01 -9.5252E+00
 -5.9422E+02 -9.0702E+02  4.0596E+02
HC            5824    1.008000    0.040000
 -1.2359E+01  7.5895E+00  2.0809E+00
 -7.6813E+00  3.3718E+00 -6.2615E+00
 -1.1135E+03  7.8767E+02  1.1579E+03
HC            5825    1.008000    0.040000
 -1.1711E+01  8.6918E+00  9.5180E-01
 -9.7600E+00 -3.4067E+00  3.6971E+00
 -1.8321E+03  1.5673E+03 -1.2325E+02
HC            5826    1.008000    0.040000
 -1.2352E+01  9.3476E+00  2.5081E+00
 -5.4954E-01 -2.0518E-01  7.9397E+00
  3.5232E+02 -1.9240E+02 -1.2027E+01
CT            5827   12.011000    0.145000
  8.2371E+00  2.7578E+00 -5.2420E+00
  6.5933E+00 -1.1524E+00  4.4928E+00
  7.3219E+03  8.0607E+03  1.1614E+03
OH            5828    0.000000   -0.683000
  8.9436E+00  2.3596E+00 -6.3954E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5829    1.008000    0.418000
  8.5593E+00  1.5096E+00 -6.5465E+00
  2.7813E+01 -1.4993E+01  6.6907E+00
  1.8264E+03  6.8275E+02 -2.1162E+03
HC            5830    1.008000    0.040000
  7.1491E+00  2.7051E+00 -5.2018E+00
  5.6661E+00  1.8210E+01  2.0541E+01
  1.2206E+03  9.4129E+02 -1.7944E+03
HC            5831    1.008000    0.040000
  8.5245E+00  3.8076E+00 -5.3002E+00
 -2.6849E+01  8.6288E+00 -7.5459E+00
 -4.1660E+03  1.2759E+03  1.1634E+03
HC            5832    1.008000    0.040000
  8.6886E+00  2.4758E+00 -4.2908E+00
  1.1096E+01 -7.9007E+00  4.4103E-01
 -5.0246E+02 -2.9494E+03 -4.7386E+02
CT            5833   12.011000    0.145000
 -3.1239E+00 -2.1505E+00  1.5342E+00
  3.7712E+00  3.2278E+00 -2.2524E+00
  5.5679E+03  4.1651E+03 -3.6937E+03
OH            5834    0.000000   -0.683000
 -2.1104E+00 -2.9214E+00  2.1396E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5835    1.008000    0.418000
 -1.4471E+00 -2.2620E+00  2.2749E+00
  8.3181E-01 -5.0092E-01 -1.6081E+00
  5.5817E+02 -1.0896E+03  2.3615E+03
HC            5836    1.008000    0.040000
 -3.0711E+00 -1.1239E+00  1.8968E+00
  1.4595E+01  5.6913E+00 -1.0288E+01
 -3.3201E+03 -1.0203E+03  2.7038E+03
HC            5837    1.008000    0.040000
 -4.1321E+00 -2.5291E+00  1.3659E+00
 -2.1014E+00  1.6785E+01  1.0670E+00
  8.1377E+02 -6.2072E+02  1.4415E+03
HC            5838    1.008000    0.040000
 -2.6530E+00 -1.8819E+00  5.8865E-01
  1.0921E+01  6.7387E+00  2.2176E+00
 -2.0565E+03 -1.5842E+03 -1.8666E+03
CT            5839   12.011000    0.145000
 -4.8951E-01  8.2825E+00 -1.1304E+01
  7.6170E+00  1.4973E+00  6.6385E+00
 -8.7016E+02  9.2734E+02 -1.9508E+03
OH            5840    0.000000   -0.683000
 -8.8715E-01  9.6283E+00 -1.1167E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5841    1.008000    0.418000
 -7.7921E-02  1.0093E+01 -1.1316E+01
  6.8195E+00 -1.4125E+01 -9.2492E+00
 -4.2161E+02  7.1407E+01  3.7920E+02
HC            5842    1.008000    0.040000
 -2.8363E-01  8.0354E+00 -1.2346E+01
 -2.8228E+01  3.2379E+00 -2.1717E+00
  4.6247E+01  1.3284E+03  9.3529E+02
HC            5843    1.008000    0.040000
 -1.3914E+00  7.7235E+00 -1.1055E+01
 -1.4032E+00  2.3220E+01  2.6521E+01
  1.9914E+03 -7.9880E+02  1.3140E+03
HC            5844    1.008000    0.040000
  3.9762E-01  8.0450E+00 -1.0717E+01
  1.7659E+01 -1.0693E+01 -1.2420E+01
 -1.6949E+03 -1.1093E+03  6.2449E+02
CT            5845   12.011000    0.145000
 -6.6700E+00 -1.3192E+01 -6.9460E+00
 -8.0670E-01  3.9523E-02 -9.5720E-01
 -3.3168E+03 -2.5225E+03 -3.7385E+03
OH            5846    0.000000   -0.683000
 -7.7449E+00 -1.3127E+01 -6.0358E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5847    1.008000    0.418000
 -7.7933E+00 -1.4001E+01 -5.6781E+00
  2.0968E+01 -7.6358E-01  2.2158E+00
  5.0409E+02  6.7743E+02  5.8884E+02
HC            5848    1.008000    0.040000
 -5.7164E+00 -1.3294E+01 -6.4280E+00
 -3.3773E+00 -5.1805E+00  2.8405E+00
  4.3965E+02  2.3583E+03 -1.4052E+03
HC            5849    1.008000    0.040000
 -6.8348E+00 -1.2374E+01 -7.6472E+00
  1.2463E+01  8.3389E+00  5.2024E+00
  4.3729E+03  1.9123E+03  1.0560E+03
HC            5850    1.008000    0.040000
 -6.7692E+00 -1.4090E+01 -7.5554E+00
  9.1582E+00 -1.1935E+01  1.4291E+01
  3.1108E+02 -6.0424E+02  7.8136E+02
CT            5851   12.011000    0.145000
 -5.4161E+00 -1.3859E+01 -1.3648E+01
  4.2610E+00 -4.8513E+00 -3.8612E+00
  2.5603E+03 -4.8325E+02 -4.8545E+03
OH            5852    0.000000   -0.683000
 -4.2610E+00 -1.3172E+01 -1.3222E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5853    1.008000    0.418000
 -4.2611E+00 -1.2279E+01 -1.3531E+01
 -2.4079E+01 -3.0382E+00 -1.1079E+01
 -2.3187E+03 -1.3852E+03 -2.7592E+03
HC            5854    1.008000    0.040000
 -5.4578E+00 -1.4675E+01 -1.2927E+01
 -1.4417E+01 -8.3055E+00 -8.3179E+00
 -3.6674E+01  1.7792E+03  1.0441E+03
HC            5855    1.008000    0.040000
 -5.2057E+00 -1.4341E+01 -1.4603E+01
  1.9079E+01 -2.2333E+01  7.5364E+00
 -3.5906E+02  1.3241E+02  9.5914E+01
HC            5856    1.008000    0.040000
 -6.3615E+00 -1.3321E+01 -1.3712E+01
  1.4825E+00 -1.0198E+01 -8.8163E+00
  3.1192E+02  1.8094E+02  2.0294E+03
CT            5857   12.011000    0.145000
 -1.9817E-01 -1.2762E+01 -1.8617E+01
 -7.5837E-01 -4.0859E-01 -2.0127E+00
  8.5645E+03 -1.0934E+03 -5.5169E+02
OH            5858    0.000000   -0.683000
 -3.4027E-01 -1.4125E+01 -1.8285E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5859    1.008000    0.418000
 -4.2882E-01 -1.4248E+01 -1.7352E+01
 -6.0106E-01  2.3140E+01  3.5910E+00
 -1.4819E+03  4.4370E+03  2.5419E+02
HC            5860    1.008000    0.040000
 -1.0042E+00 -1.2031E+01 -1.8556E+01
 -3.0832E+00 -3.5325E+00  5.9922E+00
 -7.9756E+02 -1.8871E+03  1.1101E+03
HC            5861    1.008000    0.040000
  2.5363E-01 -1.2799E+01 -1.9609E+01
 -4.3716E-02  1.2515E+01 -2.3397E+00
 -1.6516E+03  2.6118E+03 -1.1646E+03
HC            5862    1.008000    0.040000
  6.6488E-01 -1.2527E+01 -1.7995E+01
  8.0196E+00  1.7594E+01 -1.9831E+01
 -1.2160E+03  4.3302E+03  1.1006E+02
CT            5863   12.011000    0.145000
 -9.4559E+00  9.1279E+00  1.4098E+01
 -3.9327E+00 -8.4565E-01  5.9390E+00
 -1.3493E+03 -1.4506E+03 -4.8446E+02
OH            5864    0.000000   -0.683000
 -1.0495E+01  9.8756E+00  1.3507E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5865    1.008000    0.418000
 -1.1089E+01  1.0012E+01  1.4230E+01
  3.3845E+00 -2.8383E+01  9.3856E+00
 -6.9002E+02 -8.5211E+02 -1.6442E+03
HC            5866    1.008000    0.040000
 -9.2143E+00  9.5098E+00  1.5090E+01
 -3.8506E+01  2.4651E+01  6.4042E+00
  1.4124E+03  1.6067E+03 -3.0221E+03
HC            5867    1.008000    0.040000
 -8.6896E+00  9.0546E+00  1.3326E+01
  5.6862E+00 -1.5006E+01  1.6317E+01
  2.2063E+03  5.6273E+02  2.5484E+03
HC            5868    1.008000    0.040000
 -9.7100E+00  8.0785E+00  1.4247E+01
  2.0186E+01 -9.0784E+00 -5.6312E+00
 -3.9102E+03  1.8079E+03 -1.0513E+03
CT            5869   12.011000    0.145000
  8.9519E+00 -1.9681E+01 -1.1882E+00
  1.5544E+00 -6.3786E-01 -1.4279E+00
  2.5952E+03  6.8063E+03 -2.5639E+03
OH            5870    0.000000   -0.683000
  9.9109E+00 -1.9650E+01 -1.5502E-01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5871    1.008000    0.418000
  1.0118E+01 -1.8779E+01  1.4921E-01
 -1.4491E+01  5.1723E+00 -4.1038E+00
 -1.7387E+03  1.6227E+03 -3.7842E+03
HC            5872    1.008000    0.040000
  8.5024E+00  2.0262E+01 -1.4549E+00
  5.5545E+00 -1.4374E+00 -5.4248E+00
  3.2309E+02  1.9649E+02  1.1616E+03
HC            5873    1.008000    0.040000
  9.4844E+00 -1.9369E+01 -2.0865E+00
 -9.3355E+00 -2.1434E+01 -1.5961E+01
 -1.0147E+03 -9.3091E+02 -8.4299E+02
HC            5874    1.008000    0.040000
  8.2297E+00 -1.8886E+01 -1.0025E+00
  5.1366E+00  2.6538E+00 -1.4611E+00
 -1.7256E+03 -1.4085E+03  1.9904E+02
CT            5875   12.011000    0.145000
  1.6965E+01 -7.6055E+00 -6.4106E+00
  1.4228E+00 -4.9406E+00  4.0903E+00
 -6.6903E+02  3.2257E+03 -3.7986E+03
OH            5876    0.000000   -0.683000
  1.6125E+01 -8.4569E+00 -7.1575E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5877    1.008000    0.418000
  1.6728E+01 -9.0848E+00 -7.5246E+00
  1.3699E+01 -4.0368E+00  2.6893E+01
 -2.3897E+03 -4.4678E+02 -1.9181E+02
HC            5878    1.008000    0.040000
  1.7709E+01 -8.1533E+00 -5.8334E+00
 -1.3526E+00 -2.0201E+01 -6.2105E+00
 -8.8688E+02  4.6166E+02  2.7831E+02
HC            5879    1.008000    0.040000
  1.6341E+01 -6.8663E+00 -5.9073E+00
  6.1611E+00  1.8756E+01 -2.2297E+01
  1.9890E+03 -7.4015E+02  7.6780E+02
HC            5880    1.008000    0.040000
  1.7405E+01 -7.0113E+00 -7.2114E+00
 -1.3383E+01  9.2660E+00  5.9638E+00
  2.0739E+03  7.3824E+02  1.8609E+03
CT            5881   12.011000    0.145000
  2.0013E+01  1.0371E+01 -2.5528E+00
 -1.0189E+00 -1.6778E+00  1.3288E+00
  9.8782E+02  4.2455E+02  2.9518E+03
OH            5882    0.000000   -0.683000
 -1.9783E+01  9.5237E+00 -2.7800E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5883    1.008000    0.418000
 -1.9870E+01  9.2345E+00 -3.6754E+00
 -1.0193E+01  2.2681E+00  1.3510E-01
  2.9413E+02  1.6996E+03 -4.5107E+02
HC            5884    1.008000    0.040000
  1.9822E+01  1.0297E+01 -1.4823E+00
  8.4926E+00  1.1299E+01  4.1731E+00
 -3.2559E+02  7.1362E+02 -1.5507E+01
HC            5885    1.008000    0.040000
  1.9075E+01  1.0068E+01 -3.0170E+00
 -2.7255E+00 -3.0517E+01  2.0970E+01
  2.1994E+03 -6.2759E+02 -8.6747E+02
HC            5886    1.008000    0.040000
  2.0235E+01  1.1419E+01 -2.7538E+00
  1.4361E+01 -1.0116E+01 -3.3089E+01
  9.6252E+02 -1.5915E+03 -1.3725E+03
CT            5887   12.011000    0.145000
 -4.4684E+00  2.0181E+01 -6.0665E+00
  6.0608E+00  7.4630E+00 -5.7276E+00
  3.1608E+03  4.2209E+03 -1.5883E+03
OH            5888    0.000000   -0.683000
 -3.4549E+00  2.0091E+01 -5.0904E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5889    1.008000    0.418000
 -3.8939E+00  1.9529E+01 -4.4702E+00
 -1.3060E+01 -4.8125E+00 -1.3021E+01
  2.1724E+03 -5.2076E+02  2.6976E+02
HC            5890    1.008000    0.040000
 -5.2649E+00 -1.9992E+01 -5.9049E+00
  1.3139E+01  1.3475E+01  3.1654E+00
 -7.2108E+02 -1.8950E+03  4.2286E+03
HC            5891    1.008000    0.040000
 -4.9125E+00  1.9224E+01 -6.3378E+00
 -2.2950E+01  1.4700E+01  1.1789E+01
  6.0117E+02  1.3941E+03  9.1285E+01
HC            5892    1.008000    0.040000
 -4.0547E+00 -2.0166E+01 -6.9099E+00
  7.9440E+00  1.0954E+01 -2.5459E+00
  4.6086E+02 -2.5075E+03 -1.7859E+03
CT            5893   12.011000    0.145000
 -1.0337E+01  1.4527E+01 -6.1727E+00
  4.0990E+00  4.2500E+00 -4.7660E+00
  6.0605E+03  1.2685E+03 -9.6532E+02
OH            5894    0.000000   -0.683000
 -1.0140E+01  1.3400E+01 -6.9964E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5895    1.008000    0.418000
 -1.1007E+01  1.3060E+01 -7.1589E+00
  6.7707E+00 -1.1060E+01 -1.5490E+01
  8.7724E+02 -1.7801E+03  1.6628E+03
HC            5896    1.008000    0.040000
 -9.3917E+00  1.5032E+01 -5.9756E+00
  9.2483E+00 -1.6924E+01  3.5360E+01
 -1.0747E+03 -8.8824E+02 -1.8095E+03
HC            5897    1.008000    0.040000
 -1.0609E+01  1.4271E+01 -5.1485E+00
 -1.3647E+01 -1.6725E+01 -1.3895E+01
 -2.6919E+03 -1.4971E+03 -1.7718E+03
HC            5898    1.008000    0.040000
 -1.1082E+01  1.5179E+01 -6.6295E+00
 -1.7141E+01 -7.0177E+00  1.1902E+01
 -2.7933E+02 -3.9608E+02  1.9093E+03
CT            5899   12.011000    0.145000
  1.6016E+01 -3.7230E+00  1.1845E+01
  3.1368E+00  1.8449E+00  2.3481E+00
 -2.2897E+03  5.1518E+03 -6.1239E+03
OH            5900    0.000000   -0.683000
  1.5041E+01 -3.1228E+00  1.2668E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5901    1.008000    0.418000
  1.4746E+01 -3.8239E+00  1.3229E+01
 -4.7232E+00  1.9033E+00 -5.5979E-02
 -9.5313E+02 -1.1550E+02 -6.6591E+02
HC            5902    1.008000    0.040000
  1.5522E+01 -4.5243E+00  1.1296E+01
  1.9142E+01 -2.6856E+01  2.6754E+01
  3.7152E+03 -3.5003E+03  3.0299E+03
HC            5903    1.008000    0.040000
  1.6946E+01 -3.9918E+00  1.2346E+01
 -2.5053E+00 -3.9468E+01 -5.7384E+00
 -1.6916E+03 -2.7932E+03 -1.9257E+03
HC            5904    1.008000    0.040000
  1.6220E+01 -2.9837E+00  1.1071E+01
  2.0250E+01  1.8167E+01  2.1252E+01
  2.8443E+03  1.0759E+03  1.5999E+03
CT            5905   12.011000    0.145000
 -7.1325E+00  1.3656E+01  1.8862E+01
 -2.9942E+00 -1.2665E+00 -2.6848E-03
 -2.3003E+03  7.1350E+02 -4.6887E+02
OH            5906    0.000000   -0.683000
 -6.9956E+00  1.3344E+01  1.7494E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5907    1.008000    0.418000
 -6.7199E+00  1.4132E+01  1.7051E+01
 -1.8125E+01  9.5945E+00  4.7733E+00
 -1.9896E+03  7.7555E+02  7.4680E+02
HC            5908    1.008000    0.040000
 -7.7600E+00  1.3010E+01  1.9476E+01
 -2.7383E+01  3.6107E+01  1.8174E+01
  2.4023E+03 -9.7420E+01 -2.0936E+03
HC            5909    1.008000    0.040000
 -7.7563E+00  1.4543E+01  1.8973E+01
 -2.1325E+01 -1.4254E+01  5.6176E+00
  9.0575E+02  1.6627E+02 -4.7481E+02
HC            5910    1.008000    0.040000
 -6.1586E+00  1.3771E+01  1.9338E+01
 -1.1938E+00 -2.8908E+01  4.6205E+00
 -7.8187E+02 -4.5136E+02 -2.8407E+02
CT            5911   12.011000    0.145000
  8.1115E+00  7.3339E+00  1.5465E+01
  3.2203E-01 -1.1282E+00  3.8348E+00
  2.1624E+03  7.9304E+02 -1.8261E+03
OH            5912    0.000000   -0.683000
  8.3511E+00  6.0077E+00  1.5051E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5913    1.008000    0.418000
  7.8094E+00  5.5134E+00  1.5647E+01
  9.5768E+00 -7.4204E+00  2.8094E+00
  2.0048E+03 -2.9108E+03 -6.3509E+02
HC            5914    1.008000    0.040000
  8.9650E+00  7.8853E+00  1.5860E+01
 -3.0403E+00  2.2309E+01 -1.8905E+01
  3.4810E+02 -1.1177E+03 -1.5858E+03
HC            5915    1.008000    0.040000
  7.3389E+00  7.4679E+00  1.6222E+01
 -1.1585E+00  2.3371E+01 -1.1836E+00
 -6.6388E+02 -7.6984E+02 -1.7727E+03
HC            5916    1.008000    0.040000
  7.8566E+00  7.8822E+00  1.4558E+01
  2.0024E+00  8.2689E+00  8.9149E+00
 -1.0905E+03  1.5562E+03  1.1654E+03
CT            5917   12.011000    0.145000
  2.2118E+00  2.1910E+00  1.9021E+01
 -3.2078E+00  6.1649E+00  3.8685E+00
  2.8137E+02 -8.5847E+02 -1.1186E+03
OH            5918    0.000000   -0.683000
  1.4975E+00  2.5399E+00  1.7856E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5919    1.008000    0.418000
  2.0862E+00  2.5250E+00  1.7117E+01
  2.5472E+00  1.2315E+01  1.5634E+00
 -1.1339E+03 -3.0062E+02 -6.3210E+02
HC            5920    1.008000    0.040000
  1.7946E+00  2.5929E+00  1.9944E+01
  3.7955E+00  7.2421E+00  6.6264E+00
 -6.4106E+02 -7.8584E+02 -1.7312E+02
HC            5921    1.008000    0.040000
  3.2558E+00  2.4933E+00  1.8938E+01
  1.1655E+00 -9.5205E+00 -1.9164E+00
 -1.5589E+01 -7.8123E+02 -4.5534E+01
HC            5922    1.008000    0.040000
  2.1082E+00  1.1093E+00  1.8935E+01
  3.2800E+00  5.8993E+00 -1.4437E+00
  2.5757E+03 -4.6676E+02  2.9993E+03
CT            5923   12.011000    0.145000
 -1.6284E+00  7.3839E-01 -2.6847E+00
  5.3399E+00  1.8484E+00  6.8072E-01
 -5.0510E+03 -2.6256E+03 -1.7761E+02
OH            5924    0.000000   -0.683000
 -1.8698E+00  9.1061E-01 -1.3062E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5925    1.008000    0.418000
 -2.7425E+00  1.2450E+00 -1.1664E+00
 -1.4328E+00 -3.1074E-01 -7.7537E+00
 -2.3358E+02  3.6689E+01 -1.6581E+03
HC            5926    1.008000    0.040000
 -1.9889E+00  1.6562E+00 -3.1491E+00
 -7.6737E+00 -5.5612E+00 -4.4001E+00
  3.5571E+03 -3.2028E+02 -2.3307E+03
HC            5927    1.008000    0.040000
 -2.3439E+00 -5.4449E-02 -2.9029E+00
  2.5988E+00  8.9725E-01  1.2452E+01
  3.9992E+02  4.6447E+00 -2.2701E+03
HC            5928    1.008000    0.040000
 -5.9804E-01  4.0209E-01 -2.8003E+00
  1.3148E+01  2.5693E+01 -4.7964E+00
 -6.8180E+01  2.8583E+03 -2.9268E+03
CT            5929   12.011000    0.145000
 -1.7117E+01 -1.7674E+01 -6.2094E+00
  4.2403E+00  1.0358E+00  1.1571E+00
 -5.2992E+02  9.3933E+02  1.6961E+02
OH            5930    0.000000   -0.683000
 -1.6925E+01 -1.7073E+01 -7.4701E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5931    1.008000    0.418000
 -1.6329E+01 -1.6361E+01 -7.2904E+00
 -9.3508E+00  3.3865E+00  2.0459E+01
 -1.0056E+03  2.6681E+02 -7.6364E+02
HC            5932    1.008000    0.040000
 -1.6188E+01 -1.8066E+01 -5.7945E+00
 -6.3428E+00 -1.1730E+01  1.3833E+01
 -5.1285E+02 -1.2762E+03 -1.2310E+03
HC            5933    1.008000    0.040000
 -1.7843E+01 -1.8437E+01 -6.4901E+00
 -1.7977E+00  3.0865E+00  1.0729E+01
 -2.6794E+02 -1.2765E+03  4.3296E+03
HC            5934    1.008000    0.040000
 -1.7523E+01 -1.7014E+01 -5.4429E+00
 -1.5689E+01  2.6848E+00 -1.0126E+01
 -1.9545E+03  7.7195E+01 -1.4205E+03
CT            5935   12.011000    0.145000
 -1.4283E+01  1.3819E+01  8.9914E+00
 -5.3883E-02 -3.1901E-01  1.2796E+00
  1.7158E+03  4.5924E+03  2.7086E+02
OH            5936    0.000000   -0.683000
 -1.2960E+01  1.3335E+01  8.9252E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5937    1.008000    0.418000
 -1.3023E+01  1.2400E+01  8.8039E+00
  1.7925E+01 -3.5195E+00  1.3549E+01
  2.4979E+03 -6.3269E+01  1.4805E+03
HC            5938    1.008000    0.040000
 -1.4296E+01  1.4306E+01  9.9663E+00
 -6.0295E-02 -7.4919E+00  4.9321E+00
 -2.4848E+03  6.1093E+02 -2.1481E+02
HC            5939    1.008000    0.040000
 -1.5115E+01  1.3116E+01  8.9416E+00
  7.0299E-01 -3.2562E+00  2.1615E+01
  1.5299E+03 -7.8134E+02  6.6105E+02
HC            5940    1.008000    0.040000
 -1.4349E+01  1.4556E+01  8.1916E+00
  1.5080E+01 -3.8078E+00 -3.5086E+00
 -9.5177E+02  3.2197E+02  4.8329E+02
CT            5941   12.011000    0.145000
  7.0714E+00 -2.0029E+01 -1.5283E+01
 -5.9070E+00 -4.5720E+00  2.4413E+00
  1.6268E+03 -1.9594E+02 -2.8999E+01
OH            5942    0.000000   -0.683000
  7.4168E+00  1.9916E+01 -1.6261E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5943    1.008000    0.418000
  6.6632E+00  1.9349E+01 -1.6196E+01
 -1.8405E-01 -2.1821E+00 -1.6801E+01
  4.9021E+02 -1.2198E+03 -4.9471E+03
HC            5944    1.008000    0.040000
  6.6596E+00 -1.9120E+01 -1.5721E+01
  7.2235E+00 -5.0897E-01 -1.9419E+00
  1.0280E+03 -1.0434E+02 -6.6803E+02
HC            5945    1.008000    0.040000
  7.9759E+00 -1.9804E+01 -1.4718E+01
  3.7742E+00 -1.2859E+01 -9.2276E+00
 -2.0031E+00  1.0715E+03 -7.6328E+02
HC            5946    1.008000    0.040000
  6.3427E+00 -2.0322E+01 -1.4527E+01
 -1.4687E+00  1.4756E+01  1.4929E+01
  6.6182E+02 -1.4392E+03 -9.8590E+02
CT            5947   12.011000    0.145000
  7.5349E+00  3.1086E+00  1.2547E+01
 -2.6533E+00  2.3032E+00  3.8924E+00
 -9.0531E+02  2.6832E+03  2.9735E+02
OH            5948    0.000000   -0.683000
  6.3299E+00  2.8885E+00  1.1848E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5949    1.008000    0.418000
  6.6723E+00  2.7149E+00  1.0985E+01
 -1.7828E+01  1.2923E+01 -1.0355E+01
 -2.8623E+03 -8.5570E+02 -4.5809E+02
HC            5950    1.008000    0.040000
  8.3742E+00  3.5473E+00  1.2007E+01
 -1.7556E+01  1.1922E+01 -1.2555E+01
 -3.8803E+03  1.5224E+03 -4.6920E+03
HC            5951    1.008000    0.040000
  8.0827E+00  2.2129E+00  1.2840E+01
 -6.9141E+00 -7.0390E+00 -1.5107E+01
 -4.2937E+03 -1.0289E+03  2.1620E+03
HC            5952    1.008000    0.040000
  7.4714E+00  3.9339E+00  1.3256E+01
  1.2821E+01  4.8371E+00  2.6770E+00
 -1.2437E+03 -2.2772E+03  2.2923E+03
CT            5953   12.011000    0.145000
 -9.9905E+00 -1.9632E+01 -4.4692E-02
  2.3926E+00 -1.4983E-01  1.3624E+00
  8.8840E+02 -1.3439E+03  1.3714E+03
OH            5954    0.000000   -0.683000
 -9.4438E+00 -2.0398E+01 -1.0947E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5955    1.008000    0.418000
 -9.8369E+00 -2.0097E+01 -1.8996E+00
  9.6358E+00 -1.2023E+01 -9.6106E+00
  1.8156E+03 -6.3770E+02 -8.6755E+02
HC            5956    1.008000    0.040000
 -1.0987E+01 -2.0031E+01  1.4185E-01
 -1.3051E-01  7.3763E+00  4.3951E+00
 -6.8807E+02  1.9581E+03  4.3079E+02
HC            5957    1.008000    0.040000
 -1.0004E+01 -1.8578E+01 -3.2356E-01
 -3.5113E+00  2.9133E-01  3.1671E+00
 -1.1666E+03 -3.5789E+01  4.9890E+02
HC            5958    1.008000    0.040000
 -9.4302E+00 -1.9691E+01  8.8837E-01
 -2.4852E+00  2.1860E+01  6.2643E+00
  4.8877E+01 -2.0598E+02 -4.7176E+02
CT            5959   12.011000    0.145000
 -1.7234E+01  1.7947E+01 -4.6206E+00
  2.1841E+00  4.6163E-01 -3.6667E+00
 -3.2314E+02  2.3950E+01  9.2403E+02
OH            5960    0.000000   -0.683000
 -1.6034E+01  1.7666E+01 -3.9362E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5961    1.008000    0.418000
 -1.6230E+01  1.7297E+01 -3.0884E+00
 -2.5267E+00 -1.0144E-02 -5.8078E-01
 -2.9010E+03 -1.5676E+03 -1.3522E+03
HC            5962    1.008000    0.040000
 -1.7053E+01  1.8487E+01 -5.5506E+00
  2.5744E+01  1.8924E+00  1.1081E+00
  1.2032E+03 -5.7688E+02  4.8390E+02
HC            5963    1.008000    0.040000
 -1.7866E+01  1.8601E+01 -4.0189E+00
 -4.4595E+00 -4.5636E-01 -9.5143E+00
 -1.2248E+03 -1.5241E+03  3.8223E+02
HC            5964    1.008000    0.040000
 -1.7717E+01  1.6997E+01 -4.8471E+00
 -1.8055E+01  8.1363E+00  4.8836E+00
 -2.2409E+03  1.1851E+03  1.1889E+03
CT            5965   12.011000    0.145000
  6.0670E+00  1.8177E+01  2.8898E+00
 -2.1189E+00 -3.6113E+00 -8.3069E-01
 -4.7464E+02 -5.8716E+02  7.4622E+02
OH            5966    0.000000   -0.683000
  4.8482E+00  1.8883E+01  2.9505E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5967    1.008000    0.418000
  4.7470E+00  1.9238E+01  3.8203E+00
 -7.5532E+00 -8.9606E+00  2.9513E+00
 -9.5681E+02 -1.4095E+02 -1.8872E+02
HC            5968    1.008000    0.040000
  6.1595E+00  1.7614E+01  1.9610E+00
 -3.2482E+00 -5.5566E+00  2.2932E-01
  5.8539E+02  3.2085E+03 -1.7736E+03
HC            5969    1.008000    0.040000
  6.2187E+00  1.7351E+01  3.5848E+00
 -2.6764E+01 -6.3904E+00  2.1438E+00
 -2.2137E+03  2.4629E+03  2.8799E+03
HC            5970    1.008000    0.040000
  6.7783E+00  1.8983E+01  3.0672E+00
 -1.1070E+01  3.2826E+00  4.5969E+00
  1.1314E+03 -1.2652E+03 -5.3065E+02
CT            5971   12.011000    0.145000
  2.2272E+00  1.4095E+00 -2.9940E+00
  1.7077E-01  1.9626E+00 -5.2324E+00
 -3.8688E+03 -4.4162E+03  5.3842E+03
OH            5972    0.000000   -0.683000
  2.8615E+00  2.2188E-01 -3.4128E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5973    1.008000    0.418000
  3.3778E+00  4.5233E-01 -4.1700E+00
  2.3222E+00 -1.0591E+01 -1.7998E+00
 -8.4318E+02  3.9590E+02 -2.6107E+02
HC            5974    1.008000    0.040000
  1.9185E+00  1.1465E+00 -1.9823E+00
  3.1063E+01  2.2840E+01  1.1265E+01
 -9.2739E+02  1.7828E+03 -8.2028E+02
HC            5975    1.008000    0.040000
  1.3756E+00  1.5301E+00 -3.6636E+00
  4.1011E+00  1.5865E+01 -8.0502E+00
  4.5634E+02  3.7615E+03  2.1625E+02
HC            5976    1.008000    0.040000
  2.8608E+00  2.2771E+00 -2.8096E+00
  1.0716E+01 -4.6513E+00 -9.4091E+00
  3.6307E+02 -3.5004E+02 -2.6242E+03
CT            5977   12.011000    0.145000
  4.6133E+00 -1.7898E+01  1.8063E+01
 -1.2846E+01 -1.7269E-01 -2.6701E+00
  2.2105E+03 -8.3490E+02 -1.9820E+03
OH            5978    0.000000   -0.683000
  4.8551E+00 -1.7118E+01  1.6914E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5979    1.008000    0.418000
  4.2983E+00 -1.6364E+01  1.7035E+01
 -2.7865E+00 -3.1835E+00  7.6043E+00
  3.0749E+03  1.9905E+03  5.3302E+02
HC            5980    1.008000    0.040000
  5.2438E+00 -1.7428E+01  1.8818E+01
  5.7563E+00  1.8574E+01 -2.8115E+01
 -1.6645E+03 -1.5865E+03  1.3849E+02
HC            5981    1.008000    0.040000
  4.9804E+00 -1.8874E+01  1.7746E+01
 -2.3351E+01 -5.5235E+00  1.1573E+00
  2.2049E+02 -8.5124E+02  2.6384E+03
HC            5982    1.008000    0.040000
  3.5605E+00 -1.7954E+01  1.8340E+01
 -9.1162E+00  2.2851E+01  1.9928E+01
  1.2189E+03  4.5580E+02  4.4693E+02
CT            5983   12.011000    0.145000
 -1.4839E+01 -3.7099E+00 -2.0036E+01
 -3.2000E+00  6.0990E+00 -4.0355E+00
 -2.0993E+03 -3.5841E+02 -2.1093E+02
OH            5984    0.000000   -0.683000
 -1.4939E+01 -4.5292E+00  1.9721E+01
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5985    1.008000    0.418000
 -1.4928E+01 -5.4313E+00  2.0002E+01
 -5.1696E+00 -8.4385E-01 -2.3934E+00
 -8.5476E+02  2.2252E+02  6.5647E+02
HC            5986    1.008000    0.040000
 -1.5658E+01 -3.9019E+00 -1.9343E+01
  2.0368E+01 -1.1272E+00  2.3788E+01
  1.9928E+03 -1.2813E+03  6.1849E+02
HC            5987    1.008000    0.040000
 -1.4857E+01 -2.6312E+00 -2.0192E+01
  9.9321E+00  5.5908E+00 -1.0443E+01
  8.0214E+02 -4.6422E+02 -2.3931E+03
HC            5988    1.008000    0.040000
 -1.3918E+01 -3.9640E+00 -1.9511E+01
 -1.7078E+01 -1.2510E+01  1.2883E+01
 -1.1085E+03 -8.7244E+00  1.5907E+02
CT            5989   12.011000    0.145000
 -1.7448E+01 -9.1576E+00  5.0939E+00
  7.2018E+00  5.9261E+00 -1.4906E+00
  3.7421E+03 -7.9031E+02 -7.1806E+02
OH            5990    0.000000   -0.683000
 -1.7511E+01 -9.4432E+00  3.7146E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5991    1.008000    0.418000
 -1.8239E+01 -1.0010E+01  3.5127E+00
 -3.1988E+00  4.6287E+00 -1.6346E+00
 -2.1997E+03  2.2517E+03  1.6118E+03
HC            5992    1.008000    0.040000
 -1.6429E+01 -8.8607E+00  5.3406E+00
  1.3995E+01  2.1120E+00 -2.2871E+01
 -1.0889E+02  1.9686E+03 -2.3372E+03
HC            5993    1.008000    0.040000
 -1.7516E+01 -9.9911E+00  5.7931E+00
 -1.7743E+01  1.0385E+01  2.3432E+00
 -3.4114E+03 -1.4142E+03 -2.5967E+03
HC            5994    1.008000    0.040000
 -1.8065E+01 -8.3378E+00  5.4611E+00
  1.4925E+01  1.4343E+01 -6.8654E+00
 -1.4020E+03 -8.5623E+02 -1.7711E+03
CT            5995   12.011000    0.145000
 -7.7640E+00  1.5095E+01 -1.3788E+00
  1.7562E+00  2.2874E+00 -8.6377E-01
  3.8859E+02  1.4328E+03 -6.7085E+02
OH            5996    0.000000   -0.683000
 -7.6651E+00  1.4529E+01 -2.6664E+00
  0.0000E+00  0.0000E+00  0.0000E+00
  0.0000E+00  0.0000E+00  0.0000E+00
HO            5997    1.008000    0.418000
 -7.5730E+00  1.3612E+01 -2.4604E+00
 -4.0604E+00 -8.2317E-01 -1.7512E+00
 -1.2787E+03 -8.6217E+02 -3.2694E+03
HC            5998    1.008000    0.040000
 -8.7062E+00  1.4905E+01 -8.6470E-01
  3.1728E+00  3.6752E+00  2.2724E+00
 -2.6005E+02 -1.4799E+03 -1.2776E+03
HC            5999    1.008000    0.040000
 -7.7415E+00  1.6183E+01 -1.4533E+00
 -1.6515E+01  2.0857E+00 -1.7544E+01
  6.8115E+02 -5.0431E+02  8.4832E+01
HC            6000    1.008000    0.040000
 -7.0184E+00  1.4811E+01 -6.3633E-01
 -1.7355E+01  9.3949E+00  2.2335E+01
  3.3037E+02 -7.3474E+02 -2.3431E+03
