REAL300024793362.mol2 37                                                        
   1       C     0.05    -0.22    10.24      59.85       0.61     0.39     16
   2       N    -0.60    -0.06     2.87    -181.57      -0.52    -0.58     16
   3       C     0.11     0.19     5.52      -4.04      -0.02     0.17     16
   4       C     0.10     0.57     6.00      -4.04      -0.02     0.55     16
   5       N    -0.73    -5.45     5.56     -60.29      -0.33    -5.79     16
   6       C     0.54     6.84     7.85     -10.98      -0.09     6.75     16
   7       O    -0.52    -8.54    15.86       5.56       0.09    -8.45     16
   8       C    -0.15    -2.22     5.67      36.01       0.20    -2.02     16
   9       S     0.06     1.20    21.45    -107.50      -2.31    -1.11     16
  10       C     0.20     5.30     8.33     -88.20      -0.73     4.57     16
  11       N    -0.40   -10.13    11.98      30.72       0.37    -9.76     16
  12       N    -0.58   -15.84     7.39      27.70       0.20   -15.63     16
  13       C     0.58    18.45     9.41     -86.79      -0.82    17.64     16
  14       O    -0.65   -22.26    18.06       5.07       0.09   -22.17     16
  15       N    -0.65   -20.30    11.63     -16.33      -0.19   -20.49     16
  16       C     0.46     1.39     7.00     -10.99      -0.08     1.31     16
  17       O    -0.44    -3.92    12.04       5.55       0.07    -3.85     16
  18       C     0.38     0.15     4.02      36.01       0.14     0.29     16
  19       F    -0.12    -1.99    16.66       2.25       0.04    -1.96     16
  20       F    -0.21    -2.19    15.88       2.25       0.04    -2.15     16
  21       F    -0.13    -1.51    13.71       2.25       0.03    -1.48     16
  22       F    -0.21    -2.19    15.87       2.25       0.04    -2.15     16
  23       F    -0.11    -1.45    13.71       2.25       0.03    -1.42     16
  24       H     0.08    -0.47     8.14     -51.93      -0.42    -0.89     16
  25       H     0.07    -0.52     6.44     -51.93      -0.33    -0.85     16
  26       H     0.10    -0.42     8.07     -51.93      -0.42    -0.84     16
  27       H     0.10     0.34     7.42     -51.93      -0.39    -0.05     16
  28       H     0.10    -0.09     8.07     -51.93      -0.42    -0.51     16
  29       H     0.07     0.38     8.14     -51.93      -0.42    -0.04     16
  30       H     0.08     0.64     8.14     -51.93      -0.42     0.22     16
  31       H     0.40     1.82     8.47     -40.82      -0.35     1.47     16
  32       H     0.12     1.65     8.14     -51.92      -0.42     1.22     16
  33       H     0.12     1.57     8.14     -51.91      -0.42     1.14     16
  34       H     0.40     9.44     8.96    -182.54      -1.64     7.81     16
  35       H     0.19    -0.83     6.90     -51.93      -0.36    -1.19     16
  36       H     0.19    -0.93     7.61     -51.93      -0.40    -1.33     16
 Total:         -1.00   -51.62   349.38                 -4.30   -55.93