REAL300032940504.mol2 36                                                        
   1       C    -0.14    -0.49     8.71      37.16       0.32    -0.16     16
   2       C    -0.11    -0.65     3.42     -88.79      -0.30    -0.96     16
   3       C     0.11     1.16     6.46      -3.07      -0.02     1.14     16
   4       N    -0.62    -9.60     3.33    -171.76      -0.57   -10.17     16
   5       C     0.62    14.03     7.84     -12.48      -0.10    13.94     16
   6       O    -0.50   -13.23    16.05     -13.01      -0.21   -13.43     16
   7       C    -0.05    -1.38     6.62     -83.92      -0.56    -1.93     16
   8       N    -0.49   -10.75     8.04      24.02       0.19   -10.56     16
   9       S     0.39     8.68    24.20    -107.50      -2.60     6.08     16
  10       N    -0.60   -16.92    12.18      28.50       0.35   -16.58     16
  11       C     0.38    11.72     8.19     -17.49      -0.14    11.58     16
  12       O    -0.66   -23.55    17.64     -37.37      -0.66   -24.20     16
  13       C     0.10     1.22     5.72      -2.53      -0.01     1.21     16
  14       C     0.14     1.04     3.07     -65.78      -0.20     0.84     16
  15       N    -0.69    -3.99     4.69     -51.73      -0.24    -4.23     16
  16       C     0.47     3.62     7.15     -10.98      -0.08     3.54     16
  17       O    -0.45    -5.70    12.21       5.56       0.07    -5.63     16
  18       C     0.36     1.89     5.47      36.00       0.20     2.08     16
  19       F     0.00     0.01    16.66       2.25       0.04     0.04     16
  20       F    -0.21    -2.80    15.87       2.25       0.04    -2.76     16
  21       F    -0.06    -0.95    13.71       2.25       0.03    -0.92     16
  22       F    -0.21    -3.18    13.71       2.25       0.03    -3.15     16
  23       F    -0.28    -4.17    15.88       2.25       0.04    -4.14     16
  24       H     0.05     0.12     6.35     -51.93      -0.33    -0.21     16
  25       H     0.07     0.23     8.14     -51.93      -0.42    -0.19     16
  26       H     0.07     0.19     8.14     -51.93      -0.42    -0.23     16
  27       H     0.11     0.55     8.14     -51.93      -0.42     0.13     16
  28       H     0.07     0.81     8.14     -51.93      -0.42     0.39     16
  29       H     0.07     0.67     7.77     -51.93      -0.40     0.27     16
  30       H     0.08     1.02     8.14     -51.93      -0.42     0.60     16
  31       H     0.11     1.72     6.03     -51.93      -0.31     1.40     16
  32       H     0.12     0.87     7.73     -51.93      -0.40     0.47     16
  33       H     0.41     1.10     6.89     -40.82      -0.28     0.82     16
  34       H     0.18     0.32     7.65     -51.93      -0.40    -0.08     16
  35       H     0.18    -0.05     7.65     -51.93      -0.40    -0.45     16
 Total:         -1.00   -46.43   327.58                 -4.10   -50.53