REAL300034138868.mol2 34                                                        
   1       O    -0.45    -5.57    11.95       5.55       0.07    -5.50     16
   2       C     0.47     3.32     7.05     -10.98      -0.08     3.24     16
   3       C     0.36     1.41     3.90      36.01       0.14     1.55     16
   4       F     0.00     0.06    16.66       2.25       0.04     0.10     16
   5       F    -0.20    -2.45    15.87       2.25       0.04    -2.41     16
   6       F    -0.07    -0.96    13.72       2.25       0.03    -0.93     16
   7       F    -0.28    -3.68    15.88       2.25       0.04    -3.64     16
   8       F    -0.21    -2.96    13.70       2.25       0.03    -2.93     16
   9       N    -0.59    -3.17     2.96    -173.81      -0.51    -3.68     16
  10       C     0.13     0.22     6.48      -5.10      -0.03     0.19     16
  11       C    -0.19    -0.98     9.92     -35.78      -0.35    -1.33     16
  12       C    -0.12    -1.14     9.32     -35.95      -0.33    -1.48     16
  13       C     0.16     1.82     2.89     -69.12      -0.20     1.62     16
  14       N    -0.72   -10.93     5.04     -56.02      -0.28   -11.21     16
  15       C     0.61    13.49     7.76     -12.48      -0.10    13.39     16
  16       O    -0.50   -12.91    15.37     -13.01      -0.20   -13.11     16
  17       C    -0.06    -1.38     6.69     -83.92      -0.56    -1.94     16
  18       N    -0.50   -10.67    10.83      24.02       0.26   -10.41     16
  19       S     0.40     8.44    24.20    -107.50      -2.60     5.84     16
  20       N    -0.60   -16.70    12.18      28.49       0.35   -16.35     16
  21       C     0.38    11.61     8.19     -17.49      -0.14    11.47     16
  22       O    -0.66   -23.33    17.64     -37.36      -0.66   -23.99     16
  23       C     0.11     0.89     6.03      -3.26      -0.02     0.87     16
  24       H     0.18    -0.23     7.63     -51.92      -0.40    -0.63     16
  25       H     0.18    -0.09     7.09     -51.93      -0.37    -0.46     16
  26       H     0.09    -0.19     6.26     -51.93      -0.33    -0.52     16
  27       H     0.10    -0.03     8.14     -51.93      -0.42    -0.45     16
  28       H     0.13     0.46     8.06     -52.49      -0.42     0.04     16
  29       H     0.12     1.47     8.06     -52.49      -0.42     1.04     16
  30       H     0.11     1.54     7.55     -51.93      -0.39     1.15     16
  31       H     0.41     5.34     8.03     -40.82      -0.33     5.01     16
  32       H     0.10     0.56     8.06     -51.93      -0.42     0.14     16
  33       H     0.11     1.09     7.07     -51.93      -0.37     0.72     16
 Total:         -1.00   -45.64   320.18                 -4.13   -49.78