REAL300033053715.mol2 36                                                        
   1       O    -0.45    -5.00    12.13       5.55       0.07    -4.93     16
   2       C     0.46     2.58     7.15     -10.98      -0.08     2.50     16
   3       C     0.39     0.98     5.47      36.01       0.20     1.18     16
   4       F    -0.14    -2.56    16.66       2.25       0.04    -2.53     16
   5       F    -0.12    -1.70    13.72       2.25       0.03    -1.67     16
   6       F    -0.22    -2.70    15.87       2.25       0.04    -2.66     16
   7       F    -0.13    -1.78    13.70       2.25       0.03    -1.75     16
   8       F    -0.21    -2.66    15.88       2.25       0.04    -2.62     16
   9       N    -0.70    -2.60     5.04     -52.73      -0.27    -2.87     16
  10       C     0.14     0.97     3.00     -66.82      -0.20     0.77     16
  11       H     0.11     0.99     7.05     -51.93      -0.37     0.63     16
  12       C    -0.13    -0.79     6.53     -25.08      -0.16    -0.96     16
  13       C    -0.12    -0.86     6.91     -24.74      -0.17    -1.03     16
  14       C    -0.13    -1.22     6.54     -25.01      -0.16    -1.38     16
  15       C     0.14     1.40     2.99     -66.75      -0.20     1.20     16
  16       H     0.10     0.98     7.07     -51.93      -0.37     0.61     16
  17       N    -0.72   -10.67     5.04     -53.71      -0.27   -10.94     16
  18       C     0.61    13.11     7.80     -12.48      -0.10    13.01     16
  19       O    -0.50   -12.40    15.40     -13.01      -0.20   -12.60     16
  20       C    -0.06    -1.42     6.69     -83.92      -0.56    -1.98     16
  21       N    -0.50   -10.83    10.83      24.03       0.26   -10.57     16
  22       S     0.40     8.58    24.20    -107.50      -2.60     5.97     16
  23       N    -0.60   -16.70    12.18      28.50       0.35   -16.35     16
  24       C     0.38    11.53     8.19     -17.49      -0.14    11.38     16
  25       O    -0.66   -23.05    17.64     -37.39      -0.66   -23.71     16
  26       H     0.19    -0.61     7.65     -51.92      -0.40    -1.01     16
  27       H     0.19    -0.42     7.65     -51.93      -0.40    -0.81     16
  28       H     0.41    -0.06     8.31     -40.82      -0.34    -0.40     16
  29       H     0.08     0.34     8.05     -51.93      -0.42    -0.08     16
  30       H     0.08     0.55     8.14     -51.92      -0.42     0.12     16
  31       H     0.07     0.44     8.14     -51.93      -0.42     0.02     16
  32       H     0.07     0.58     8.14     -51.93      -0.42     0.16     16
  33       H     0.08     0.59     8.14     -51.93      -0.42     0.16     16
  34       H     0.08     1.00     8.04     -51.93      -0.42     0.58     16
  35       H     0.41     5.59     7.79     -40.82      -0.32     5.27     16
 Total:         -1.00   -47.84   333.73                 -4.42   -52.26