REAL300024348476.mol2 31                                                        
   1       O    -0.53    -0.78    13.31      -3.02      -0.04    -0.82     16
   2       C     0.54    -2.81     7.69      87.66       0.67    -2.14     16
   3       C    -0.29     7.41     5.67      71.24       0.40     7.81     16
   4       S     0.81   -20.95    21.45     -56.49      -1.21   -22.16     16
   5       C     0.09    -2.31     8.33     179.50       1.49    -0.81     16
   6       N     0.12    -3.49    11.98     -56.74      -0.68    -4.17     16
   7       N    -0.31     8.30     7.39    -184.36      -1.36     6.93     16
   8       C     0.59    -9.21     9.41     179.01       1.68    -7.52     16
   9       O    -0.37     2.26    18.06      -4.76      -0.09     2.17     16
  10       N    -0.52     8.17    11.63    -323.75      -3.77     4.40     16
  11       N    -0.63    -4.96     5.34    -303.51      -1.62    -6.58     16
  12       C     0.19     5.57     6.29      38.15       0.24     5.81     16
  13       C    -0.11    -2.75     8.70      22.39       0.19    -2.56     16
  14       C    -0.04    -1.56    10.04      22.25       0.22    -1.34     16
  15       C    -0.18   -11.20     8.62      22.29       0.19   -11.00     16
  16       C     0.45    34.96     4.82      22.25       0.11    35.07     16
  17       F    -0.36   -44.73    16.66      44.97       0.75   -43.99     16
  18       F    -0.59   -67.80    15.31      44.97       0.69   -67.12     16
  19       F    -0.58   -64.37    15.30      44.97       0.69   -63.68     16
  20       F    -0.58   -66.89    15.31      44.97       0.69   -66.20     16
  21       F    -0.59   -65.58    15.32      44.97       0.69   -64.89     16
  22       C    -0.18   -10.00     8.54      22.39       0.19    -9.81     16
  23       H     0.23    -7.19     8.14      -2.40      -0.02    -7.21     16
  24       H     0.24    -8.69     8.14      -2.40      -0.02    -8.71     16
  25       H     0.50   -16.89     8.96    -213.28      -1.91   -18.81     16
  26       H     0.44     0.53     8.82     -92.70      -0.82    -0.28     16
  27       H     0.22     2.46     6.24      -2.91      -0.02     2.44     16
  28       H     0.21     4.81     8.06      -2.91      -0.02     4.79     16
  29       H     0.11     8.16     7.39      -2.91      -0.02     8.14     16
  30       H     0.13     8.30     7.39      -2.91      -0.02     8.28     16
 Total:         -1.00  -321.25   308.31                 -2.71  -323.96