REAL300032079225.mol2 36                                                        
   1       O    -0.44    -6.27    12.46       5.56       0.07    -6.20     16
   2       C     0.45     3.32     7.15     -10.98      -0.08     3.25     16
   3       C     0.38     1.24     5.47      36.01       0.20     1.44     16
   4       F    -0.13    -2.46    16.66       2.25       0.04    -2.42     16
   5       F    -0.12    -1.79    13.71       2.25       0.03    -1.76     16
   6       F    -0.21    -2.78    15.87       2.25       0.04    -2.74     16
   7       F    -0.22    -2.80    15.87       2.25       0.04    -2.76     16
   8       F    -0.10    -1.68    13.71       2.25       0.03    -1.65     16
   9       N    -0.70    -3.63     5.42     -60.29      -0.33    -3.96     16
  10       C     0.11     1.16     5.09      -4.04      -0.02     1.14     16
  11       C     0.13     1.34     2.91     -66.95      -0.20     1.14     16
  12       C    -0.13    -0.74     6.13     -24.89      -0.15    -0.90     16
  13       C    -0.13    -1.00     7.08     -24.58      -0.17    -1.18     16
  14       C     0.11     1.40     5.83      -2.53      -0.01     1.38     16
  15       N    -0.61    -9.56     3.06    -164.24      -0.50   -10.07     16
  16       C     0.62    14.02     7.55     -12.48      -0.09    13.92     16
  17       O    -0.50   -12.96    14.90     -13.01      -0.19   -13.15     16
  18       C    -0.05    -1.30     6.62     -83.92      -0.56    -1.86     16
  19       N    -0.49   -10.48     8.19      24.02       0.20   -10.28     16
  20       S     0.39     8.27    24.20    -107.50      -2.60     5.67     16
  21       N    -0.60   -16.79    12.18      28.49       0.35   -16.44     16
  22       C     0.38    11.73     8.19     -17.49      -0.14    11.58     16
  23       O    -0.66   -23.54    17.64     -37.38      -0.66   -24.20     16
  24       H     0.19    -0.50     7.65     -51.93      -0.40    -0.89     16
  25       H     0.19    -0.36     7.65     -51.93      -0.40    -0.76     16
  26       H     0.40    -0.01     8.29     -40.82      -0.34    -0.35     16
  27       H     0.08     0.90     8.01     -51.93      -0.42     0.48     16
  28       H     0.10     1.57     6.87     -51.93      -0.36     1.21     16
  29       H     0.08     0.82     8.14     -51.93      -0.42     0.40     16
  30       H     0.08     0.21     8.14     -51.93      -0.42    -0.22     16
  31       H     0.08     0.39     7.76     -51.93      -0.40    -0.01     16
  32       H     0.08     0.56     8.14     -51.93      -0.42     0.14     16
  33       H     0.08     0.47     8.14     -51.93      -0.42     0.05     16
  34       H     0.10     1.39     6.39     -51.93      -0.33     1.06     16
  35       H     0.07     0.82     8.14     -51.93      -0.42     0.40     16
 Total:         -1.00   -49.05   329.20                 -4.53   -53.57