REAL300032375333.mol2 36                                                        
   1       O    -0.45    -6.50    12.46       5.56       0.07    -6.43     16
   2       C     0.46     3.67     7.15     -10.98      -0.08     3.59     16
   3       C     0.36     1.49     5.47      36.01       0.20     1.69     16
   4       F     0.00    -0.02    16.66       2.25       0.04     0.02     16
   5       F    -0.18    -2.96    13.71       2.25       0.03    -2.93     16
   6       F    -0.30    -3.99    15.87       2.25       0.04    -3.96     16
   7       F    -0.07    -1.08    13.71       2.25       0.03    -1.05     16
   8       F    -0.21    -2.76    15.88       2.25       0.04    -2.72     16
   9       N    -0.70    -3.97     5.42     -60.30      -0.33    -4.29     16
  10       C     0.11     1.17     5.09      -4.04      -0.02     1.15     16
  11       C     0.13     1.37     2.91     -66.95      -0.20     1.18     16
  12       H     0.08     0.84     8.14     -51.92      -0.42     0.42     16
  13       C    -0.13    -0.77     6.12     -24.89      -0.15    -0.93     16
  14       C    -0.13    -1.02     7.08     -24.58      -0.17    -1.20     16
  15       C     0.11     1.41     5.84      -2.35      -0.01     1.40     16
  16       N    -0.61    -9.68     3.07    -163.98      -0.50   -10.18     16
  17       C     0.62    14.13     7.56     -12.48      -0.09    14.03     16
  18       O    -0.50   -13.07    14.92     -13.01      -0.19   -13.26     16
  19       C    -0.05    -1.30     6.62     -83.92      -0.56    -1.86     16
  20       N    -0.49   -10.52     8.19      24.02       0.20   -10.32     16
  21       S     0.39     8.29    24.20    -107.50      -2.60     5.69     16
  22       N    -0.60   -16.83    12.18      28.50       0.35   -16.48     16
  23       C     0.38    11.76     8.19     -17.49      -0.14    11.62     16
  24       O    -0.66   -23.61    17.64     -37.38      -0.66   -24.27     16
  25       H     0.18    -0.27     7.65     -51.93      -0.40    -0.67     16
  26       H     0.18    -0.10     7.65     -51.93      -0.40    -0.50     16
  27       H     0.41     0.22     8.28     -40.82      -0.34    -0.11     16
  28       H     0.08     0.92     8.01     -51.93      -0.42     0.51     16
  29       H     0.10     1.61     6.88     -51.93      -0.36     1.25     16
  30       H     0.08     0.23     8.14     -51.93      -0.42    -0.20     16
  31       H     0.08     0.41     7.76     -51.93      -0.40     0.01     16
  32       H     0.08     0.57     8.14     -51.93      -0.42     0.15     16
  33       H     0.08     0.48     8.14     -51.93      -0.42     0.06     16
  34       H     0.10     1.40     6.40     -51.93      -0.33     1.07     16
  35       H     0.07     0.83     8.14     -51.93      -0.42     0.41     16
 Total:         -1.00   -47.64   329.26                 -4.53   -52.17