REAL300033371859.mol2 36                                                        
   1       C    -0.14    -1.39     7.58      37.15       0.28    -1.11     16
   2       C     0.13     1.25     3.65     -67.49      -0.25     1.00     16
   3       C     0.07     0.85     5.52      -3.60      -0.02     0.83     16
   4       N    -0.62    -8.57     2.95    -173.72      -0.51    -9.09     16
   5       C     0.61    12.51     7.66     -12.48      -0.10    12.42     16
   6       O    -0.50   -11.92    15.17     -12.77      -0.19   -12.12     16
   7       C    -0.05    -1.20     6.51     -83.92      -0.55    -1.75     16
   8       N    -0.50    -9.65     7.45      24.02       0.18    -9.47     16
   9       S     0.40     7.75    24.20    -107.50      -2.60     5.15     16
  10       N    -0.59   -15.59    12.18      28.49       0.35   -15.24     16
  11       C     0.38    10.98     8.18     -17.49      -0.14    10.84     16
  12       O    -0.66   -22.24    17.66     -37.14      -0.66   -22.90     16
  13       C     0.10     0.86     6.60      -3.60      -0.02     0.83     16
  14       C     0.08     0.33     6.50      -3.59      -0.02     0.31     16
  15       N    -0.59    -3.81     2.95    -164.95      -0.49    -4.30     16
  16       C     0.47     3.22     6.93     -10.99      -0.08     3.15     16
  17       O    -0.44    -4.96     7.85       5.56       0.04    -4.91     16
  18       C     0.38     1.52     3.86      36.00       0.14     1.66     16
  19       F    -0.15    -2.71    16.66       2.25       0.04    -2.67     16
  20       F    -0.22    -2.84    15.87       2.25       0.04    -2.80     16
  21       F    -0.12    -1.76    13.71       2.25       0.03    -1.73     16
  22       F    -0.21    -2.81    15.88       2.25       0.04    -2.77     16
  23       F    -0.12    -1.79    13.71       2.25       0.03    -1.76     16
  24       H     0.08     0.86     6.60     -51.93      -0.34     0.52     16
  25       H     0.06     0.59     8.14     -51.93      -0.42     0.17     16
  26       H     0.07     0.77     6.89     -51.93      -0.36     0.41     16
  27       H     0.09     0.87     8.14     -51.93      -0.42     0.45     16
  28       H     0.17     2.39     3.94     -80.39      -0.32     2.08     16
  29       H     0.07     0.80     8.12     -51.93      -0.42     0.38     16
  30       H     0.11     1.12     6.99     -51.93      -0.36     0.76     16
  31       H     0.07     0.51     8.14     -51.93      -0.42     0.09     16
  32       H     0.10     0.45     8.14     -51.93      -0.42     0.03     16
  33       H     0.09    -0.10     5.94     -51.93      -0.31    -0.41     16
  34       H     0.19    -0.18     7.59     -51.93      -0.39    -0.58     16
  35       H     0.19    -0.16     7.01     -51.93      -0.36    -0.52     16
 Total:         -1.00   -44.03   314.86                 -4.28   -48.31