REAL300031882685.mol2 33                                                        
   1       O    -0.45    -4.68    12.08       5.55       0.07    -4.61     16
   2       C     0.47     2.38     7.15     -10.98      -0.08     2.30     16
   3       C     0.36     0.93     5.47      36.01       0.20     1.13     16
   4       F     0.00    -0.02    16.66       2.25       0.04     0.02     16
   5       F    -0.29    -3.47    15.87       2.25       0.04    -3.43     16
   6       F    -0.20    -2.66    13.72       2.25       0.03    -2.62     16
   7       F    -0.20    -2.37    15.88       2.25       0.04    -2.34     16
   8       F    -0.08    -0.94    13.70       2.25       0.03    -0.91     16
   9       N    -0.69    -2.25     5.26     -53.02      -0.28    -2.53     16
  10       C     0.12     0.71     4.30     -67.12      -0.29     0.42     16
  11       H     0.12     0.75     7.50     -51.93      -0.39     0.36     16
  12       C    -0.16    -1.11     7.63     -25.92      -0.20    -1.31     16
  13       C     0.13     1.27     4.13     -66.98      -0.28     1.00     16
  14       H     0.11     1.22     7.46     -51.93      -0.39     0.83     16
  15       N    -0.72   -10.67     5.36     -53.93      -0.29   -10.95     16
  16       C     0.61    13.24     7.81     -12.48      -0.10    13.14     16
  17       O    -0.51   -12.68    15.32     -13.01      -0.20   -12.88     16
  18       C    -0.06    -1.41     6.69     -83.92      -0.56    -1.97     16
  19       N    -0.50   -10.69    10.83      24.01       0.26   -10.43     16
  20       S     0.40     8.39    24.20    -107.50      -2.60     5.79     16
  21       N    -0.60   -16.62    12.18      28.49       0.35   -16.28     16
  22       C     0.38    11.52     8.19     -17.49      -0.14    11.38     16
  23       O    -0.66   -23.10    17.64     -37.37      -0.66   -23.76     16
  24       C    -0.16    -1.13     7.64     -25.77      -0.20    -1.33     16
  25       H     0.19    -0.42     7.65     -51.92      -0.40    -0.81     16
  26       H     0.18    -0.33     7.65     -51.93      -0.40    -0.73     16
  27       H     0.41     0.08     8.71     -40.82      -0.36    -0.27     16
  28       H     0.10     0.70     8.12     -51.93      -0.42     0.28     16
  29       H     0.08     0.58     8.14     -51.93      -0.42     0.16     16
  30       H     0.41     5.43     8.22     -40.82      -0.34     5.10     16
  31       H     0.08     0.57     8.14     -51.93      -0.42     0.15     16
  32       H     0.11     0.79     8.14     -51.93      -0.42     0.37     16
 Total:         -1.00   -45.98   317.43                 -4.00   -49.97