REAL300032132960.mol2 32                                                        
   1       C     0.09     1.20     9.19      59.85       0.55     1.75     16
   2       N    -0.62    -9.38     2.87    -182.82      -0.53    -9.90     16
   3       C     0.11     1.10     5.46      -4.04      -0.02     1.08     16
   4       C     0.10     0.97     6.00      -4.05      -0.02     0.94     16
   5       N    -0.70    -3.36     5.56     -60.30      -0.33    -3.69     16
   6       C     0.46     3.26     7.15     -10.98      -0.08     3.19     16
   7       O    -0.45    -6.00    12.46       5.55       0.07    -5.93     16
   8       C     0.36     1.28     5.47      36.01       0.20     1.47     16
   9       F     0.00     0.01    16.66       2.25       0.04     0.05     16
  10       F    -0.20    -2.98    13.71       2.25       0.03    -2.95     16
  11       F    -0.29    -3.82    15.88       2.25       0.04    -3.79     16
  12       F    -0.07    -0.97    13.71       2.25       0.03    -0.94     16
  13       F    -0.21    -2.59    15.87       2.25       0.04    -2.55     16
  14       C     0.61    13.40     7.64     -12.48      -0.10    13.30     16
  15       O    -0.50   -12.72    15.38     -12.84      -0.20   -12.92     16
  16       C    -0.06    -1.38     6.45     -83.91      -0.54    -1.92     16
  17       N    -0.49   -10.29     7.65      24.03       0.18   -10.11     16
  18       S     0.39     8.13    24.20    -107.50      -2.60     5.53     16
  19       N    -0.60   -16.64    12.18      28.49       0.35   -16.30     16
  20       C     0.38    11.61     8.18     -17.49      -0.14    11.47     16
  21       O    -0.66   -23.36    17.66     -37.19      -0.66   -24.01     16
  22       H     0.06     0.72     8.07     -51.93      -0.42     0.30     16
  23       H     0.09     1.40     5.85     -51.93      -0.30     1.09     16
  24       H     0.06     0.51     8.03     -51.93      -0.42     0.09     16
  25       H     0.09     0.96     7.50     -51.93      -0.39     0.57     16
  26       H     0.08     0.48     8.07     -51.93      -0.42     0.06     16
  27       H     0.08     0.79     8.14     -51.93      -0.42     0.37     16
  28       H     0.09     1.23     8.14     -51.93      -0.42     0.80     16
  29       H     0.41    -0.05     8.47     -40.82      -0.35    -0.40     16
  30       H     0.18    -0.23     7.65     -51.93      -0.40    -0.63     16
  31       H     0.18    -0.32     7.65     -51.93      -0.40    -0.72     16
 Total:         -1.00   -47.04   306.90                 -3.01   -50.05