REAL300032505091.mol2 33                                                        
   1       O    -0.45    -4.41    12.46       5.55       0.07    -4.34     16
   2       C     0.46     1.83     7.15     -10.98      -0.08     1.75     16
   3       C     0.36     0.50     5.47      36.01       0.20     0.70     16
   4       F     0.00     0.06    16.66       2.25       0.04     0.10     16
   5       F    -0.07    -0.87    13.72       2.25       0.03    -0.84     16
   6       F    -0.20    -2.15    15.87       2.25       0.04    -2.11     16
   7       F    -0.20    -2.58    13.70       2.25       0.03    -2.55     16
   8       F    -0.29    -3.22    15.88       2.25       0.04    -3.19     16
   9       N    -0.70    -0.97     5.50     -60.30      -0.33    -1.31     16
  10       C     0.09     0.34     5.31      -4.04      -0.02     0.32     16
  11       C     0.09     0.43     3.09     -26.73      -0.08     0.35     16
  12       O    -0.55    -2.97    13.03     -35.23      -0.46    -3.43     16
  13       C     0.09     0.96     5.34      -4.04      -0.02     0.94     16
  14       N    -0.73   -11.00     5.44     -61.35      -0.33   -11.34     16
  15       C     0.61    13.65     7.81     -12.48      -0.10    13.56     16
  16       O    -0.50   -13.31    15.72     -13.01      -0.20   -13.52     16
  17       C    -0.05    -1.38     6.69     -83.92      -0.56    -1.94     16
  18       N    -0.50   -10.80    10.83      24.02       0.26   -10.54     16
  19       S     0.39     8.41    24.20    -107.50      -2.60     5.81     16
  20       N    -0.60   -16.81    12.18      28.50       0.35   -16.46     16
  21       C     0.38    11.70     8.19     -17.49      -0.14    11.56     16
  22       O    -0.66   -23.53    17.64     -37.37      -0.66   -24.19     16
  23       H     0.18    -0.57     7.65     -51.92      -0.40    -0.97     16
  24       H     0.18    -0.64     7.65     -51.93      -0.40    -1.03     16
  25       H     0.41    -0.77     8.47     -40.82      -0.35    -1.11     16
  26       H     0.09     0.39     8.14     -51.93      -0.42    -0.03     16
  27       H     0.10     0.43     8.14     -51.93      -0.42     0.00     16
  28       H     0.12     0.48     8.14     -51.92      -0.42     0.05     16
  29       H     0.38     1.33     9.05      45.56       0.41     1.75     16
  30       H     0.07     0.77     8.14     -51.93      -0.42     0.35     16
  31       H     0.08     0.84     8.14     -51.93      -0.42     0.42     16
  32       H     0.41     5.65     7.84     -40.82      -0.32     5.33     16
 Total:         -1.00   -48.20   323.24                 -2.84   -51.04