REAL300033652565.mol2 33                                                        
   1       C    -0.16    -1.47     9.12      37.16       0.34    -1.13     16
   2       C     0.15     1.38     1.23    -134.04      -0.16     1.22     16
   3       N    -0.71    -9.62     5.33     -50.11      -0.27    -9.89     16
   4       C     0.61    12.65     7.57     -12.48      -0.09    12.56     16
   5       O    -0.49   -11.61    13.33     -13.01      -0.17   -11.78     16
   6       C    -0.06    -1.41     6.69     -83.92      -0.56    -1.97     16
   7       N    -0.50   -10.49    10.83      24.02       0.26   -10.23     16
   8       S     0.40     8.49    24.20    -107.50      -2.60     5.89     16
   9       N    -0.60   -16.51    12.18      28.50       0.35   -16.16     16
  10       C     0.38    11.40     8.19     -17.49      -0.14    11.25     16
  11       O    -0.66   -22.78    17.64     -37.37      -0.66   -23.44     16
  12       C     0.11     1.06     8.19      -2.98      -0.02     1.04     16
  13       N    -0.64    -4.39     3.61    -178.18      -0.64    -5.04     16
  14       C     0.49     4.32     7.38     -10.99      -0.08     4.24     16
  15       O    -0.44    -6.53    13.19       5.56       0.07    -6.45     16
  16       C     0.37     1.96     5.22      36.01       0.19     2.15     16
  17       F    -0.04    -0.69    16.66       2.25       0.04    -0.65     16
  18       F    -0.28    -4.05    15.88       2.25       0.04    -4.01     16
  19       F    -0.17    -2.56    13.71       2.25       0.03    -2.53     16
  20       F    -0.14    -2.39    13.71       2.25       0.03    -2.35     16
  21       F    -0.16    -2.03    15.87       2.25       0.04    -2.00     16
  22       C     0.08     0.27     7.89      -2.98      -0.02     0.24     16
  23       H     0.07     0.42     7.94     -51.93      -0.41     0.00     16
  24       H     0.10     1.46     5.54     -51.93      -0.29     1.17     16
  25       H     0.07     0.51     8.14     -51.93      -0.42     0.09     16
  26       H     0.41     4.82     8.11     -40.82      -0.33     4.49     16
  27       H     0.10     1.31     8.14     -51.93      -0.42     0.89     16
  28       H     0.11     0.75     7.96     -51.93      -0.41     0.33     16
  29       H     0.18    -0.12     7.65     -51.93      -0.40    -0.52     16
  30       H     0.18     0.19     7.65     -51.93      -0.40    -0.20     16
  31       H     0.12    -0.01     8.10     -51.93      -0.42    -0.43     16
  32       H     0.10     0.05     8.10     -51.93      -0.42    -0.37     16
 Total:         -1.00   -45.63   314.94                 -3.24   -48.87