REAL300024756491.mol2 37                                                        
   1       C    -0.17    -0.23     9.48      37.16       0.35     0.12     16
   2       C     0.14     0.19     2.73     -67.93      -0.19     0.00     16
   3       C     0.11     0.33     5.23      -4.04      -0.02     0.31     16
   4       N    -0.74    -3.65     5.39     -60.29      -0.32    -3.97     16
   5       C     0.54     5.54     7.85     -10.99      -0.09     5.45     16
   6       O    -0.51    -7.24    15.86       5.55       0.09    -7.15     16
   7       C    -0.16    -1.98     5.67      36.01       0.20    -1.77     16
   8       S     0.06     1.13    21.45    -107.50      -2.31    -1.17     16
   9       C     0.20     5.05     8.33     -88.20      -0.73     4.32     16
  10       N    -0.40    -9.72    11.98      30.72       0.37    -9.35     16
  11       N    -0.58   -15.43     7.39      27.70       0.20   -15.22     16
  12       C     0.58    18.05     9.41     -86.79      -0.82    17.24     16
  13       O    -0.65   -21.87    18.06       5.07       0.09   -21.78     16
  14       N    -0.65   -19.73    11.63     -16.34      -0.19   -19.92     16
  15       N    -0.71     0.59     4.52     -53.81      -0.24     0.34     16
  16       C     0.47     0.89     7.12     -10.99      -0.08     0.81     16
  17       O    -0.45    -3.39    12.13       5.56       0.07    -3.33     16
  18       C     0.38    -0.01     5.47      36.00       0.20     0.19     16
  19       F    -0.14    -2.24    16.66       2.25       0.04    -2.21     16
  20       F    -0.12    -1.52    13.71       2.25       0.03    -1.49     16
  21       F    -0.21    -2.27    15.88       2.25       0.04    -2.23     16
  22       F    -0.20    -2.24    15.87       2.25       0.04    -2.21     16
  23       F    -0.13    -1.57    13.71       2.25       0.03    -1.54     16
  24       H     0.07     0.22     8.14     -51.93      -0.42    -0.21     16
  25       H     0.07     0.03     8.14     -51.93      -0.42    -0.39     16
  26       H     0.08     0.11     8.14     -51.93      -0.42    -0.32     16
  27       H     0.11     0.32     7.58     -51.93      -0.39    -0.07     16
  28       H     0.09     0.39     8.14     -51.93      -0.42    -0.04     16
  29       H     0.08     0.22     8.14     -51.93      -0.42    -0.20     16
  30       H     0.40     1.13     8.14     -40.82      -0.33     0.80     16
  31       H     0.12     1.33     8.14     -51.92      -0.42     0.91     16
  32       H     0.12     1.47     8.14     -51.91      -0.42     1.04     16
  33       H     0.40     9.24     8.96    -182.54      -1.64     7.60     16
  34       H     0.41    -1.68     8.60     -40.82      -0.35    -2.03     16
  35       H     0.19    -0.92     7.65     -51.93      -0.40    -1.32     16
  36       H     0.19    -1.01     7.65     -51.93      -0.40    -1.41     16
 Total:         -1.00   -50.49   351.10                 -4.42   -54.91