REAL300031997766.mol2 33                                                        
   1       O    -0.45    -5.12    12.19       5.55       0.07    -5.05     16
   2       C     0.47     2.60     7.15     -10.98      -0.08     2.52     16
   3       C     0.36     0.94     5.47      36.01       0.20     1.14     16
   4       F     0.00     0.04    16.66       2.25       0.04     0.08     16
   5       F    -0.20    -2.78    13.72       2.25       0.03    -2.75     16
   6       F    -0.28    -3.60    15.87       2.25       0.04    -3.56     16
   7       F    -0.07    -0.91    13.70       2.25       0.03    -0.88     16
   8       F    -0.21    -2.43    15.88       2.25       0.04    -2.40     16
   9       N    -0.70    -2.30     5.13     -52.03      -0.27    -2.56     16
  10       C     0.14     0.99     3.24     -66.10      -0.21     0.78     16
  11       C    -0.14    -0.86     6.69     -24.58      -0.16    -1.02     16
  12       C     0.11     1.31     6.04      -2.52      -0.02     1.29     16
  13       N    -0.62   -10.18     3.33    -171.76      -0.57   -10.75     16
  14       C     0.62    14.52     7.84     -12.48      -0.10    14.43     16
  15       O    -0.50   -13.76    16.05     -13.00      -0.21   -13.97     16
  16       C    -0.05    -1.21     6.62     -83.92      -0.56    -1.76     16
  17       N    -0.49   -10.36     8.03      24.03       0.19   -10.17     16
  18       S     0.39     8.06    24.20    -107.50      -2.60     5.46     16
  19       N    -0.60   -16.62    12.18      28.50       0.35   -16.28     16
  20       C     0.38    11.70     8.19     -17.49      -0.14    11.55     16
  21       O    -0.66   -23.59    17.64     -37.37      -0.66   -24.25     16
  22       C     0.10     1.25     6.62      -3.07      -0.02     1.23     16
  23       H     0.18    -0.36     7.65     -51.92      -0.40    -0.76     16
  24       H     0.18    -0.46     7.65     -51.93      -0.40    -0.86     16
  25       H     0.41    -0.46     8.52     -40.82      -0.35    -0.80     16
  26       H     0.12     0.93     7.69     -51.93      -0.40     0.53     16
  27       H     0.09     0.38     8.14     -51.93      -0.42    -0.04     16
  28       H     0.08     0.40     8.00     -51.93      -0.42    -0.02     16
  29       H     0.07     0.82     8.14     -51.93      -0.42     0.40     16
  30       H     0.11     1.48     6.01     -51.93      -0.31     1.17     16
  31       H     0.07     0.88     8.03     -51.93      -0.42     0.46     16
  32       H     0.08     1.12     8.14     -51.93      -0.42     0.70     16
 Total:         -1.00   -47.57   310.40                 -3.90   -51.47