REAL300032389208.mol2 35                                                        
   1       C    -0.15    -0.74     8.94      37.16       0.33    -0.40     16
   2       C    -0.12    -0.62     2.46     -90.62      -0.22    -0.84     16
   3       C     0.13     0.59     5.06      -4.05      -0.02     0.57     16
   4       N    -0.70    -1.08     5.28     -60.30      -0.32    -1.40     16
   5       C     0.46     1.91     7.15     -10.98      -0.08     1.83     16
   6       O    -0.45    -4.54    12.46       5.56       0.07    -4.47     16
   7       C     0.36     0.51     5.47      36.01       0.20     0.70     16
   8       F     0.00     0.06    16.66       2.25       0.04     0.10     16
   9       F    -0.07    -0.87    13.71       2.25       0.03    -0.84     16
  10       F    -0.20    -2.19    15.87       2.25       0.04    -2.15     16
  11       F    -0.29    -3.26    15.88       2.25       0.04    -3.23     16
  12       F    -0.20    -2.58    13.71       2.25       0.03    -2.55     16
  13       C     0.13     1.42     5.06      -4.04      -0.02     1.40     16
  14       N    -0.73   -11.05     5.28     -61.36      -0.32   -11.38     16
  15       C     0.61    13.68     7.81     -12.48      -0.10    13.58     16
  16       O    -0.50   -13.40    15.72     -13.01      -0.20   -13.61     16
  17       C    -0.05    -1.33     6.69     -83.92      -0.56    -1.89     16
  18       N    -0.50   -10.69    10.83      24.03       0.26   -10.43     16
  19       S     0.39     8.27    24.20    -107.50      -2.60     5.67     16
  20       N    -0.60   -16.75    12.18      28.50       0.35   -16.40     16
  21       C     0.38    11.68     8.19     -17.49      -0.14    11.54     16
  22       O    -0.66   -23.54    17.64     -37.38      -0.66   -24.20     16
  23       H     0.05     0.10     7.18     -51.93      -0.37    -0.27     16
  24       H     0.07     0.45     7.18     -51.93      -0.37     0.07     16
  25       H     0.06     0.38     8.14     -51.93      -0.42    -0.04     16
  26       H     0.09     0.37     8.14     -51.93      -0.42    -0.06     16
  27       H     0.09     0.50     8.14     -51.93      -0.42     0.07     16
  28       H     0.09     0.49     8.14     -51.93      -0.42     0.07     16
  29       H     0.41    -0.99     7.66     -40.82      -0.31    -1.30     16
  30       H     0.18    -0.64     7.65     -51.93      -0.40    -1.03     16
  31       H     0.18    -0.59     7.65     -51.93      -0.40    -0.99     16
  32       H     0.07     0.83     8.14     -51.93      -0.42     0.40     16
  33       H     0.07     0.85     8.14     -51.93      -0.42     0.42     16
  34       H     0.40     5.24     7.14     -40.82      -0.29     4.95     16
 Total:         -1.00   -47.54   329.56                 -3.59   -51.13