REAL300031132327.mol2 36                                                        
   1       C    -0.17    -2.08     8.71      37.16       0.32    -1.76     16
   2       C     0.14     1.63     3.77     -66.42      -0.25     1.38     16
   3       C    -0.13    -0.85     6.13     -24.58      -0.15    -1.00     16
   4       C     0.13     1.01     3.32     -66.09      -0.22     0.79     16
   5       N    -0.70    -2.65     5.10     -52.03      -0.27    -2.92     16
   6       C     0.47     2.81     7.15     -10.98      -0.08     2.73     16
   7       O    -0.45    -5.27    12.11       5.56       0.07    -5.20     16
   8       C     0.36     1.11     5.47      36.01       0.20     1.30     16
   9       F     0.00     0.00    16.66       2.25       0.04     0.03     16
  10       F    -0.30    -3.73    15.87       2.25       0.04    -3.69     16
  11       F    -0.18    -2.70    13.71       2.25       0.03    -2.67     16
  12       F    -0.20    -2.54    15.88       2.25       0.04    -2.50     16
  13       F    -0.08    -1.03    13.71       2.25       0.03    -1.00     16
  14       C     0.11     1.43     5.21      -3.06      -0.02     1.41     16
  15       N    -0.62   -10.02     3.24    -164.27      -0.53   -10.55     16
  16       C     0.62    14.33     7.62     -12.48      -0.10    14.23     16
  17       O    -0.49   -12.94    13.37     -13.00      -0.17   -13.11     16
  18       C    -0.05    -1.36     6.62     -83.92      -0.56    -1.91     16
  19       N    -0.49   -10.82     8.35      24.01       0.20   -10.62     16
  20       S     0.39     8.54    24.20    -107.50      -2.60     5.94     16
  21       N    -0.60   -16.98    12.18      28.49       0.35   -16.63     16
  22       C     0.38    11.78     8.19     -17.49      -0.14    11.64     16
  23       O    -0.66   -23.53    17.64     -37.40      -0.66   -24.19     16
  24       H     0.05     0.71     8.14     -51.93      -0.42     0.29     16
  25       H     0.06     0.54     8.14     -51.93      -0.42     0.12     16
  26       H     0.09     1.59     5.88     -51.93      -0.31     1.28     16
  27       H     0.08     0.88     8.14     -51.93      -0.42     0.46     16
  28       H     0.09     0.38     8.14     -51.93      -0.42    -0.04     16
  29       H     0.09     0.42     7.92     -51.93      -0.41     0.01     16
  30       H     0.12     0.98     7.55     -51.93      -0.39     0.59     16
  31       H     0.41    -0.21     8.56     -40.82      -0.35    -0.56     16
  32       H     0.18    -0.42     7.65     -51.93      -0.40    -0.82     16
  33       H     0.18    -0.21     7.65     -51.93      -0.40    -0.61     16
  34       H     0.08     1.28     7.64     -51.93      -0.40     0.89     16
  35       H     0.08     1.05     7.39     -51.93      -0.38     0.67     16
 Total:         -1.00   -46.85   327.02                 -4.23   -51.08