REAL300033137673.mol2 32                                                        
   1       C    -0.16    -0.89     9.48      37.16       0.35    -0.54     16
   2       C     0.14     0.90     2.73     -67.93      -0.19     0.72     16
   3       H     0.11     0.85     7.58     -51.93      -0.39     0.46     16
   4       C     0.11     1.08     5.23      -4.04      -0.02     1.06     16
   5       N    -0.74   -10.13     5.38     -61.36      -0.33   -10.46     16
   6       C     0.61    12.83     7.81     -12.48      -0.10    12.73     16
   7       O    -0.50   -12.53    15.72     -13.01      -0.20   -12.74     16
   8       C    -0.06    -1.37     6.69     -83.92      -0.56    -1.94     16
   9       N    -0.50   -10.35    10.83      24.02       0.26   -10.09     16
  10       S     0.40     8.29    24.20    -107.50      -2.60     5.69     16
  11       N    -0.60   -16.40    12.18      28.49       0.35   -16.05     16
  12       C     0.38    11.36     8.19     -17.49      -0.14    11.22     16
  13       O    -0.66   -22.97    17.64     -37.38      -0.66   -23.63     16
  14       N    -0.70    -3.12     4.52     -53.80      -0.24    -3.36     16
  15       C     0.47     2.93     7.12     -10.99      -0.08     2.85     16
  16       O    -0.45    -5.07    12.13       5.55       0.07    -5.00     16
  17       C     0.36     1.43     5.47      36.01       0.20     1.63     16
  18       F     0.00    -0.02    16.66       2.25       0.04     0.01     16
  19       F    -0.07    -0.97    13.71       2.25       0.03    -0.94     16
  20       F    -0.20    -2.59    15.87       2.25       0.04    -2.55     16
  21       F    -0.21    -2.97    13.71       2.25       0.03    -2.94     16
  22       F    -0.28    -3.76    15.88       2.25       0.04    -3.72     16
  23       H     0.08     0.41     8.14     -51.93      -0.42    -0.02     16
  24       H     0.07     0.29     8.14     -51.93      -0.42    -0.13     16
  25       H     0.07     0.46     8.14     -51.93      -0.42     0.04     16
  26       H     0.08     0.70     8.14     -51.93      -0.42     0.28     16
  27       H     0.09     0.93     8.14     -51.93      -0.42     0.51     16
  28       H     0.40     4.93     7.63     -40.82      -0.31     4.62     16
  29       H     0.41     0.71     8.60     -40.82      -0.35     0.36     16
  30       H     0.18    -0.18     7.65     -51.93      -0.40    -0.57     16
  31       H     0.19     0.01     7.65     -51.93      -0.40    -0.39     16
 Total:         -1.00   -45.19   310.96                 -3.01   -48.20