REAL300032929093.mol2 36                                                        
   1       O    -0.44    -6.27    12.13       5.55       0.07    -6.20     16
   2       C     0.46     3.36     7.12     -10.99      -0.08     3.28     16
   3       C     0.36     1.35     5.47      36.00       0.20     1.55     16
   4       F     0.00     0.06    16.66       2.25       0.04     0.10     16
   5       F    -0.30    -4.05    15.88       2.25       0.04    -4.01     16
   6       F    -0.18    -2.92    13.71       2.25       0.03    -2.89     16
   7       F    -0.21    -2.76    15.87       2.25       0.04    -2.72     16
   8       F    -0.07    -1.09    13.71       2.25       0.03    -1.05     16
   9       N    -0.70    -3.04     5.08     -53.68      -0.27    -3.32     16
  10       C     0.13     1.19     2.60     -67.81      -0.18     1.02     16
  11       H     0.10     1.27     7.58     -51.93      -0.39     0.88     16
  12       C    -0.12    -0.76     5.36     -26.69      -0.14    -0.90     16
  13       C    -0.13    -1.21     6.08     -26.61      -0.16    -1.37     16
  14       C     0.08     1.07     5.97      -3.71      -0.02     1.05     16
  15       N    -0.61   -10.37     2.97    -174.00      -0.52   -10.88     16
  16       C     0.60    14.50     7.65     -12.48      -0.10    14.40     16
  17       O    -0.49   -14.03    15.18     -12.78      -0.19   -14.22     16
  18       C    -0.05    -1.19     6.50     -83.92      -0.55    -1.73     16
  19       N    -0.49   -10.45     7.48      24.02       0.18   -10.27     16
  20       S     0.38     8.00    24.20    -107.50      -2.60     5.40     16
  21       N    -0.59   -16.73    12.18      28.49       0.35   -16.39     16
  22       C     0.38    11.85     8.18     -17.49      -0.14    11.71     16
  23       O    -0.66   -23.94    17.66     -37.15      -0.66   -24.60     16
  24       C     0.10     1.37     6.02      -3.70      -0.02     1.34     16
  25       H     0.18    -0.30     7.65     -51.93      -0.40    -0.70     16
  26       H     0.18    -0.19     7.65     -51.92      -0.40    -0.59     16
  27       H     0.41    -0.37     8.60     -40.82      -0.35    -0.72     16
  28       H     0.07     0.31     8.14     -51.93      -0.42    -0.11     16
  29       H     0.07     0.32     8.14     -51.94      -0.42    -0.11     16
  30       H     0.08     0.58     8.14     -51.93      -0.42     0.16     16
  31       H     0.07     0.76     8.14     -51.93      -0.42     0.34     16
  32       H     0.06     0.69     8.14     -51.93      -0.42     0.27     16
  33       H     0.15     2.34     4.10     -74.11      -0.30     2.03     16
  34       H     0.10     1.69     7.00     -51.93      -0.36     1.33     16
  35       H     0.07     0.68     8.14     -51.93      -0.42     0.25     16
 Total:         -1.00   -48.26   325.10                 -4.51   -52.78