REAL300033100718.mol2 34                                                        
   1       O    -0.43    -5.63    10.88       5.55       0.06    -5.57     16
   2       C     0.46     3.45     6.91     -10.98      -0.08     3.37     16
   3       C     0.37     1.47     5.47      36.01       0.20     1.67     16
   4       F    -0.03    -0.53    16.66       2.25       0.04    -0.50     16
   5       F    -0.14    -2.22    13.72       2.25       0.03    -2.19     16
   6       F    -0.30    -4.01    15.87       2.25       0.04    -3.98     16
   7       F    -0.15    -2.31    13.70       2.25       0.03    -2.28     16
   8       F    -0.15    -2.00    15.88       2.25       0.04    -1.97     16
   9       N    -0.67    -3.52     5.67     -46.31      -0.26    -3.79     16
  10       C     0.07     0.62     3.12    -130.42      -0.41     0.21     16
  11       C    -0.13    -0.80    10.04     -26.73      -0.27    -1.06     16
  12       C    -0.16    -1.22     7.05     -89.22      -0.63    -1.85     16
  13       H     0.13     0.72     8.14     -51.93      -0.42     0.30     16
  14       C     0.12     1.53     6.48      -2.41      -0.02     1.51     16
  15       N    -0.62   -10.75     3.40    -168.58      -0.57   -11.32     16
  16       C     0.62    14.90     7.89     -12.48      -0.10    14.80     16
  17       O    -0.49   -13.97    15.93     -13.01      -0.21   -14.18     16
  18       C    -0.05    -1.17     6.64     -83.92      -0.56    -1.73     16
  19       N    -0.50   -10.42     8.03      24.02       0.19   -10.23     16
  20       S     0.39     8.05    24.20    -107.50      -2.60     5.45     16
  21       N    -0.59   -16.59    12.18      28.50       0.35   -16.25     16
  22       C     0.38    11.72     8.19     -17.49      -0.14    11.58     16
  23       O    -0.66   -23.64    17.64     -37.35      -0.66   -24.30     16
  24       C     0.15     2.08     5.93      -1.09      -0.01     2.07     16
  25       H     0.18    -0.28     7.65     -51.92      -0.40    -0.67     16
  26       H     0.18    -0.13     7.65     -51.93      -0.40    -0.53     16
  27       H     0.41     0.24     8.83     -40.82      -0.36    -0.12     16
  28       H     0.11     0.42     8.14     -51.93      -0.42    -0.01     16
  29       H     0.11     0.70     8.14     -51.93      -0.42     0.27     16
  30       H     0.13     1.78     5.32     -51.93      -0.28     1.51     16
  31       H     0.07     0.84     8.14     -51.93      -0.42     0.42     16
  32       H     0.08     1.10     8.10     -51.93      -0.42     0.68     16
  33       H     0.10     1.72     6.81     -51.93      -0.35     1.36     16
 Total:         -1.00   -47.87   318.40                 -4.63   -52.50