REAL300033529803.mol2 36                                                        
   1       C    -0.17    -1.43     9.44      37.16       0.35    -1.08     16
   2       C     0.15     1.31     2.29     -67.93      -0.16     1.15     16
   3       H     0.10     0.94     7.48     -51.93      -0.39     0.55     16
   4       N    -0.73    -9.05     4.94     -54.85      -0.27    -9.32     16
   5       C     0.61    12.15     7.77     -12.48      -0.10    12.06     16
   6       O    -0.50   -12.01    15.38     -13.00      -0.20   -12.21     16
   7       C    -0.06    -1.29     6.69     -83.92      -0.56    -1.85     16
   8       N    -0.50    -9.83    10.83      24.02       0.26    -9.57     16
   9       S     0.39     7.87    24.20    -107.50      -2.60     5.27     16
  10       N    -0.60   -16.02    12.18      28.50       0.35   -15.68     16
  11       C     0.38    11.07     8.19     -17.49      -0.14    10.92     16
  12       O    -0.66   -22.53    17.64     -37.37      -0.66   -23.19     16
  13       C    -0.13    -0.49     3.36     -89.70      -0.30    -0.79     16
  14       C     0.13     0.52     8.30      -2.98      -0.02     0.49     16
  15       N    -0.64    -2.42     3.61    -178.35      -0.64    -3.06     16
  16       C     0.49     2.93     7.38     -10.99      -0.08     2.85     16
  17       O    -0.46    -5.20    13.19       5.56       0.07    -5.12     16
  18       C     0.39     1.37     5.22      36.00       0.19     1.55     16
  19       F    -0.14    -2.57    16.66       2.25       0.04    -2.53     16
  20       F    -0.21    -2.69    15.88       2.25       0.04    -2.65     16
  21       F    -0.13    -1.81    13.71       2.25       0.03    -1.78     16
  22       F    -0.21    -2.70    15.87       2.25       0.04    -2.66     16
  23       F    -0.13    -1.82    13.71       2.25       0.03    -1.79     16
  24       C     0.09     0.21     8.05      -2.97      -0.02     0.19     16
  25       H     0.06     0.46     8.14     -51.93      -0.42     0.04     16
  26       H     0.07     0.86     8.14     -51.93      -0.42     0.44     16
  27       H     0.06     0.40     8.09     -51.93      -0.42    -0.02     16
  28       H     0.40     4.24     8.09     -40.82      -0.33     3.91     16
  29       H     0.12     0.33     8.14     -51.93      -0.42    -0.10     16
  30       H     0.10     0.37     8.14     -51.93      -0.42    -0.05     16
  31       H     0.10     0.38     8.03     -51.92      -0.42    -0.04     16
  32       H     0.19    -0.22     7.65     -51.93      -0.40    -0.61     16
  33       H     0.19    -0.29     7.65     -51.93      -0.40    -0.69     16
  34       H     0.11     0.32     8.10     -51.92      -0.42    -0.10     16
  35       H     0.10    -0.02     8.14     -51.93      -0.42    -0.45     16
 Total:         -1.00   -46.65   340.27                 -4.13   -50.78