REAL300008035889.mol2 37                                                        
   1       C    -0.18    -1.83     9.86      37.16       0.37    -1.47     16
   2       C     0.11     1.66     6.39      -4.04      -0.03     1.64     16
   3       N    -0.93   -17.17     2.67    -101.70      -0.27   -17.45     16
   4       C     0.05     1.11     1.79    -132.97      -0.24     0.87     16
   5       C     0.53    16.24     7.81      36.00       0.28    16.53     16
   6       O    -0.68   -22.67    17.67     -20.23      -0.36   -23.03     16
   7       O    -0.68   -22.88    17.37     -20.23      -0.35   -23.23     16
   8       C    -0.16    -3.25     8.79     -26.73      -0.23    -3.48     16
   9       C    -0.16    -3.02     9.48     -26.73      -0.25    -3.27     16
  10       S     2.68    46.02     5.23    -107.50      -0.56    45.46     16
  11       O    -0.92   -19.47    15.59     -57.17      -0.89   -20.36     16
  12       O    -0.94   -16.30    16.15     -57.17      -0.92   -17.23     16
  13       C    -0.63    -7.39     5.82     -39.58      -0.23    -7.62     16
  14       C    -0.01    -0.06     7.81     -39.58      -0.31    -0.37     16
  15       C    -0.09    -0.39    10.05     -39.58      -0.40    -0.79     16
  16       C    -0.06    -0.47     8.62     -39.58      -0.34    -0.81     16
  17       C     0.34     4.07     4.82     -39.58      -0.19     3.88     16
  18       F     0.00    -0.05    16.66       2.25       0.04    -0.01     16
  19       F    -0.25    -3.94    15.32       2.25       0.03    -3.91     16
  20       F    -0.21    -3.75    15.30       2.25       0.03    -3.71     16
  21       F    -0.19    -2.96    15.31       2.25       0.03    -2.93     16
  22       F    -0.11    -1.92    15.32       2.25       0.03    -1.88     16
  23       C    -0.02    -0.21     6.64     -39.58      -0.26    -0.47     16
  24       H     0.07     0.76     5.72     -51.93      -0.30     0.46     16
  25       H     0.04     0.36     6.23     -51.93      -0.32     0.04     16
  26       H     0.07     0.54     8.14     -51.93      -0.42     0.11     16
  27       H     0.10     1.64     8.11     -51.93      -0.42     1.22     16
  28       H     0.09     1.14     7.00     -51.93      -0.36     0.78     16
  29       H     0.12     2.56     7.97     -51.93      -0.41     2.15     16
  30       H     0.08     1.28     5.10     -51.93      -0.27     1.01     16
  31       H     0.09     1.35     5.82     -51.93      -0.30     1.05     16
  32       H     0.11     2.10     8.13     -51.93      -0.42     1.68     16
  33       H     0.18     0.82     7.77     -52.49      -0.41     0.41     16
  34       H     0.18    -0.01     8.06     -52.49      -0.42    -0.44     16
  35       H     0.18     1.06     7.40     -52.49      -0.39     0.67     16
  36       H     0.19     2.72     5.84     -52.48      -0.31     2.41     16
 Total:         -1.00   -42.32   331.75                 -4.78   -47.09