REAL300025205210.mol2 37                                                        
   1       C    -0.17    -0.30     9.48      37.16       0.35     0.05     16
   2       C     0.14     0.26     2.73     -67.93      -0.19     0.07     16
   3       H     0.11     0.38     7.58     -51.93      -0.39    -0.02     16
   4       C     0.11     0.39     5.23      -4.04      -0.02     0.37     16
   5       N    -0.74    -4.02     5.39     -60.30      -0.32    -4.34     16
   6       C     0.54     5.75     7.85     -10.99      -0.09     5.67     16
   7       O    -0.51    -7.42    15.86       5.56       0.09    -7.33     16
   8       C    -0.16    -2.03     5.67      36.00       0.20    -1.83     16
   9       S     0.06     1.15    21.45    -107.50      -2.31    -1.16     16
  10       C     0.20     5.10     8.33     -88.20      -0.73     4.36     16
  11       N    -0.40    -9.82    11.98      30.71       0.37    -9.45     16
  12       N    -0.58   -15.55     7.39      27.70       0.20   -15.34     16
  13       C     0.58    18.15     9.41     -86.78      -0.82    17.33     16
  14       O    -0.65   -21.97    18.06       5.07       0.09   -21.87     16
  15       N    -0.65   -19.85    11.63     -16.34      -0.19   -20.04     16
  16       N    -0.71     0.08     4.52     -53.80      -0.24    -0.17     16
  17       C     0.47     1.23     7.12     -10.99      -0.08     1.16     16
  18       O    -0.44    -3.59    12.13       5.55       0.07    -3.52     16
  19       C     0.36     0.26     5.47      36.01       0.20     0.46     16
  20       F    -0.03    -0.40    16.66       2.25       0.04    -0.37     16
  21       F    -0.17    -2.01    13.71       2.25       0.03    -1.98     16
  22       F    -0.27    -3.10    15.88       2.25       0.04    -3.06     16
  23       F    -0.16    -1.51    15.87       2.25       0.04    -1.48     16
  24       F    -0.15    -1.86    13.71       2.25       0.03    -1.83     16
  25       H     0.08     0.13     8.14     -51.93      -0.42    -0.29     16
  26       H     0.07     0.06     8.14     -51.93      -0.42    -0.36     16
  27       H     0.07     0.25     8.14     -51.93      -0.42    -0.18     16
  28       H     0.08     0.26     8.14     -51.93      -0.42    -0.17     16
  29       H     0.09     0.42     8.14     -51.93      -0.42     0.00     16
  30       H     0.40     1.37     8.14     -40.82      -0.33     1.04     16
  31       H     0.12     1.51     8.14     -51.92      -0.42     1.08     16
  32       H     0.12     1.38     8.14     -51.91      -0.42     0.96     16
  33       H     0.40     9.31     8.96    -182.55      -1.64     7.68     16
  34       H     0.41    -1.34     8.60     -40.82      -0.35    -1.70     16
  35       H     0.18    -0.84     7.65     -51.93      -0.40    -1.24     16
  36       H     0.19    -0.65     7.65     -51.93      -0.40    -1.05     16
 Total:         -1.00   -48.82   351.10                 -4.42   -53.23