REAL300031746672.mol2 36                                                        
   1       O    -0.46    -5.19    11.88       5.55       0.07    -5.13     16
   2       C     0.47     2.93     7.02     -10.98      -0.08     2.85     16
   3       C     0.36     1.27     3.82      36.01       0.14     1.41     16
   4       F     0.00    -0.02    16.66       2.25       0.04     0.01     16
   5       F    -0.29    -3.61    15.87       2.25       0.04    -3.57     16
   6       F    -0.20    -2.77    13.72       2.25       0.03    -2.73     16
   7       F    -0.21    -2.49    15.88       2.25       0.04    -2.45     16
   8       F    -0.07    -0.97    13.70       2.25       0.03    -0.94     16
   9       N    -0.59    -2.72     2.98    -173.04      -0.52    -3.23     16
  10       C     0.10     0.14     6.35      -3.71      -0.02     0.12     16
  11       C    -0.15    -0.63     5.55     -26.61      -0.15    -0.78     16
  12       C     0.15     1.43     2.42     -67.89      -0.16     1.26     16
  13       N    -0.73   -10.36     5.07     -54.82      -0.28   -10.63     16
  14       C     0.61    13.02     7.77     -12.48      -0.10    12.92     16
  15       O    -0.50   -12.53    15.38     -13.00      -0.20   -12.73     16
  16       C    -0.06    -1.38     6.69     -83.92      -0.56    -1.94     16
  17       N    -0.50   -10.55    10.83      24.02       0.26   -10.29     16
  18       S     0.40     8.31    24.20    -107.50      -2.60     5.70     16
  19       N    -0.60   -16.56    12.18      28.49       0.35   -16.21     16
  20       C     0.38    11.47     8.19     -17.49      -0.14    11.32     16
  21       O    -0.66   -23.07    17.64     -37.37      -0.66   -23.73     16
  22       C    -0.15    -1.40     5.64     -26.84      -0.15    -1.55     16
  23       C     0.12     0.84     6.40      -3.94      -0.03     0.81     16
  24       H     0.18    -0.19     7.19     -51.92      -0.37    -0.57     16
  25       H     0.18    -0.22     7.46     -51.93      -0.39    -0.61     16
  26       H     0.10     0.06     8.14     -51.93      -0.42    -0.36     16
  27       H     0.08    -0.22     5.93     -51.93      -0.31    -0.53     16
  28       H     0.10     0.36     8.14     -51.93      -0.42    -0.07     16
  29       H     0.08     0.30     8.14     -51.93      -0.42    -0.12     16
  30       H     0.09     1.04     7.58     -51.93      -0.39     0.64     16
  31       H     0.40     5.13     8.09     -40.82      -0.33     4.80     16
  32       H     0.10     1.18     8.14     -51.93      -0.42     0.76     16
  33       H     0.07     0.68     8.14     -51.93      -0.42     0.25     16
  34       H     0.10     0.87     7.01     -51.92      -0.36     0.50     16
  35       H     0.09     0.57     8.14     -51.93      -0.42     0.14     16
 Total:         -1.00   -45.30   327.93                 -4.41   -49.72