REAL300032261202.mol2 33                                                        
   1       O    -0.45    -5.18    12.72       5.55       0.07    -5.11     16
   2       C     0.48     2.86     7.17     -10.98      -0.08     2.78     16
   3       C     0.39     1.09     4.66      36.01       0.17     1.26     16
   4       F    -0.14    -2.49    16.66       2.25       0.04    -2.45     16
   5       F    -0.12    -1.74    13.70       2.25       0.03    -1.71     16
   6       F    -0.21    -2.56    15.88       2.25       0.04    -2.53     16
   7       F    -0.21    -2.60    15.87       2.25       0.04    -2.56     16
   8       F    -0.12    -1.73    13.72       2.25       0.03    -1.70     16
   9       N    -0.60    -2.69     3.33    -170.66      -0.57    -3.26     16
  10       C     0.07     0.13     6.49      -3.07      -0.02     0.11     16
  11       C    -0.14    -0.90     6.65     -24.90      -0.17    -1.07     16
  12       C     0.14     1.31     3.30     -65.89      -0.22     1.09     16
  13       H     0.11     1.19     7.73     -51.93      -0.40     0.79     16
  14       N    -0.72    -9.90     5.23     -52.88      -0.28   -10.17     16
  15       C     0.61    12.71     7.81     -12.49      -0.10    12.61     16
  16       O    -0.50   -12.10    15.47     -13.01      -0.20   -12.30     16
  17       C    -0.06    -1.37     6.69     -83.92      -0.56    -1.93     16
  18       N    -0.50   -10.33    10.83      24.02       0.26   -10.07     16
  19       S     0.40     8.28    24.20    -107.50      -2.60     5.68     16
  20       N    -0.60   -16.29    12.18      28.50       0.35   -15.94     16
  21       C     0.38    11.29     8.19     -17.49      -0.14    11.15     16
  22       O    -0.66   -22.72    17.64     -37.39      -0.66   -23.38     16
  23       C     0.11     0.73     6.52      -2.64      -0.02     0.71     16
  24       H     0.19    -0.43     7.65     -51.92      -0.40    -0.83     16
  25       H     0.19    -0.49     7.65     -51.93      -0.40    -0.88     16
  26       H     0.09    -0.11     8.14     -51.93      -0.42    -0.53     16
  27       H     0.09    -0.06     8.14     -51.93      -0.42    -0.48     16
  28       H     0.09     0.57     8.14     -51.93      -0.42     0.14     16
  29       H     0.10     0.76     8.14     -51.93      -0.42     0.34     16
  30       H     0.41     4.95     8.01     -40.82      -0.33     4.63     16
  31       H     0.10     0.79     8.04     -51.93      -0.42     0.37     16
  32       H     0.09     0.55     8.00     -51.93      -0.42     0.13     16
 Total:         -1.00   -46.47   314.55                 -3.90   -50.36