REAL300032177807.mol2 36                                                        
   1       O    -0.45    -5.62    11.88       5.55       0.07    -5.55     16
   2       C     0.47     3.28     7.02     -10.98      -0.08     3.20     16
   3       C     0.36     1.44     3.82      36.01       0.14     1.58     16
   4       F     0.00     0.02    16.66       2.25       0.04     0.05     16
   5       F    -0.20    -2.91    13.72       2.25       0.03    -2.88     16
   6       F    -0.29    -3.75    15.87       2.25       0.04    -3.71     16
   7       F    -0.07    -0.98    13.70       2.25       0.03    -0.95     16
   8       F    -0.21    -2.56    15.88       2.25       0.04    -2.53     16
   9       N    -0.59    -3.01     2.98    -173.04      -0.52    -3.53     16
  10       C     0.09     0.12     6.35      -3.71      -0.02     0.10     16
  11       C    -0.13    -0.55     6.08     -26.61      -0.16    -0.71     16
  12       C    -0.14    -1.15     5.46     -26.69      -0.15    -1.30     16
  13       C     0.14     1.50     2.59     -68.03      -0.18     1.32     16
  14       H     0.10     1.30     7.58     -51.93      -0.39     0.91     16
  15       N    -0.73   -11.02     5.08     -54.96      -0.28   -11.30     16
  16       C     0.61    13.57     7.77     -12.48      -0.10    13.47     16
  17       O    -0.50   -12.92    15.39     -13.01      -0.20   -13.12     16
  18       C    -0.05    -1.38     6.69     -83.92      -0.56    -1.94     16
  19       N    -0.50   -10.80    10.83      24.02       0.26   -10.54     16
  20       S     0.40     8.49    24.20    -107.50      -2.60     5.89     16
  21       N    -0.60   -16.80    12.18      28.50       0.35   -16.46     16
  22       C     0.38    11.67     8.19     -17.49      -0.14    11.53     16
  23       O    -0.66   -23.39    17.64     -37.38      -0.66   -24.05     16
  24       C     0.11     0.86     5.88      -3.94      -0.02     0.83     16
  25       H     0.18    -0.09     7.19     -51.92      -0.37    -0.47     16
  26       H     0.18    -0.20     7.46     -51.93      -0.39    -0.58     16
  27       H     0.10    -0.01     8.14     -51.93      -0.42    -0.44     16
  28       H     0.08    -0.21     5.93     -51.93      -0.31    -0.52     16
  29       H     0.09     0.22     8.14     -51.93      -0.42    -0.20     16
  30       H     0.08     0.39     8.14     -51.93      -0.42    -0.04     16
  31       H     0.07     0.50     8.14     -51.93      -0.42     0.08     16
  32       H     0.08     1.02     8.14     -51.93      -0.42     0.59     16
  33       H     0.40     5.42     8.09     -40.82      -0.33     5.09     16
  34       H     0.11     1.10     7.01     -51.92      -0.36     0.74     16
  35       H     0.09     0.52     8.14     -51.93      -0.42     0.10     16
 Total:         -1.00   -45.96   327.95                 -4.43   -50.40