REAL300024750404.mol2 37                                                        
   1       C    -0.16    -0.69     9.48      37.16       0.35    -0.33     16
   2       C     0.13     0.45     2.73     -67.93      -0.19     0.26     16
   3       C     0.11     0.22     5.23      -4.04      -0.02     0.19     16
   4       N    -0.71    -0.53     5.39     -60.29      -0.32    -0.85     16
   5       C     0.47     1.56     7.15     -10.98      -0.08     1.48     16
   6       O    -0.45    -3.89    12.46       5.55       0.07    -3.82     16
   7       C     0.35     0.59     5.47      36.00       0.20     0.79     16
   8       F     0.00     0.04    16.66       2.25       0.04     0.07     16
   9       F    -0.08    -0.89    13.71       2.25       0.03    -0.86     16
  10       F    -0.19    -2.15    15.87       2.25       0.04    -2.11     16
  11       F    -0.20    -2.55    13.71       2.25       0.03    -2.52     16
  12       F    -0.28    -3.22    15.88       2.25       0.04    -3.19     16
  13       N    -0.73    -3.37     4.52     -53.81      -0.24    -3.61     16
  14       C     0.54     5.12     7.81     -10.99      -0.09     5.04     16
  15       O    -0.51    -6.77    15.52       5.56       0.09    -6.69     16
  16       C    -0.16    -1.88     5.67      36.01       0.20    -1.67     16
  17       S     0.06     1.10    21.45    -107.50      -2.31    -1.21     16
  18       C     0.20     4.96     8.33     -88.20      -0.73     4.23     16
  19       N    -0.40    -9.56    11.98      30.71       0.37    -9.19     16
  20       N    -0.58   -15.22     7.39      27.70       0.20   -15.02     16
  21       C     0.58    17.87     9.41     -86.78      -0.82    17.05     16
  22       O    -0.65   -21.68    18.06       5.07       0.09   -21.59     16
  23       N    -0.65   -19.51    11.63     -16.34      -0.19   -19.70     16
  24       H     0.07     0.21     8.14     -51.93      -0.42    -0.21     16
  25       H     0.07     0.51     8.14     -51.93      -0.42     0.09     16
  26       H     0.06     0.24     8.14     -51.93      -0.42    -0.18     16
  27       H     0.10     0.45     7.58     -51.93      -0.39     0.06     16
  28       H     0.10     0.19     8.14     -51.93      -0.42    -0.23     16
  29       H     0.09     0.20     8.14     -51.93      -0.42    -0.22     16
  30       H     0.41    -0.62     8.14     -40.82      -0.33    -0.95     16
  31       H     0.18    -0.46     7.65     -51.93      -0.40    -0.86     16
  32       H     0.19    -0.54     7.65     -51.93      -0.40    -0.94     16
  33       H     0.40     0.99     8.60     -40.82      -0.35     0.64     16
  34       H     0.12     1.25     8.14     -51.91      -0.42     0.82     16
  35       H     0.12     1.40     8.14     -51.92      -0.42     0.97     16
  36       H     0.40     9.10     8.96    -182.54      -1.64     7.46     16
 Total:         -1.00   -47.07   351.10                 -4.42   -51.48