REAL300033275832.mol2 36                                                        
   1       O    -0.44    -6.15    12.46       5.55       0.07    -6.08     16
   2       C     0.45     3.25     7.15     -10.98      -0.08     3.17     16
   3       C     0.38     1.20     5.47      36.01       0.20     1.40     16
   4       F    -0.13    -2.45    16.66       2.25       0.04    -2.41     16
   5       F    -0.12    -1.77    13.71       2.25       0.03    -1.74     16
   6       F    -0.21    -2.78    15.88       2.25       0.04    -2.75     16
   7       F    -0.11    -1.66    13.71       2.25       0.03    -1.63     16
   8       F    -0.22    -2.74    15.87       2.25       0.04    -2.70     16
   9       N    -0.70    -3.62     5.35     -60.30      -0.32    -3.94     16
  10       C     0.11     1.15     5.06      -4.05      -0.02     1.13     16
  11       C     0.13     1.35     2.96     -66.95      -0.20     1.15     16
  12       H     0.08     0.79     8.14     -51.93      -0.42     0.36     16
  13       C    -0.13    -0.77     6.17     -24.90      -0.15    -0.93     16
  14       C    -0.13    -1.02     7.08     -24.58      -0.17    -1.19     16
  15       C     0.10     1.26     6.22      -2.35      -0.01     1.25     16
  16       N    -0.61    -9.55     3.07    -163.98      -0.50   -10.06     16
  17       C     0.62    13.94     7.66     -12.48      -0.10    13.84     16
  18       O    -0.50   -12.84    14.55     -13.01      -0.19   -13.03     16
  19       C    -0.05    -1.25     6.62     -83.92      -0.56    -1.81     16
  20       N    -0.49   -10.41     7.96      24.02       0.19   -10.22     16
  21       S     0.39     8.19    24.20    -107.50      -2.60     5.59     16
  22       N    -0.60   -16.66    12.18      28.50       0.35   -16.31     16
  23       C     0.38    11.65     8.19     -17.48      -0.14    11.51     16
  24       O    -0.66   -23.39    17.64     -37.37      -0.66   -24.05     16
  25       H     0.19    -0.37     7.65     -51.93      -0.40    -0.77     16
  26       H     0.19    -0.51     7.65     -51.93      -0.40    -0.91     16
  27       H     0.40     0.02     8.38     -40.82      -0.34    -0.32     16
  28       H     0.10     1.57     6.60     -51.93      -0.34     1.23     16
  29       H     0.08     0.97     8.04     -51.92      -0.42     0.55     16
  30       H     0.08     0.42     7.79     -51.93      -0.40     0.02     16
  31       H     0.08     0.22     8.14     -51.93      -0.42    -0.20     16
  32       H     0.08     0.49     8.14     -51.93      -0.42     0.06     16
  33       H     0.08     0.57     8.14     -51.93      -0.42     0.15     16
  34       H     0.06     0.79     8.14     -51.93      -0.42     0.36     16
  35       H     0.11     1.61     5.73     -51.93      -0.30     1.31     16
 Total:         -1.00   -48.52   328.38                 -4.50   -53.02