REAL300017191033.mol2 37                                                        
   1       C    -0.12    -2.15     8.55      37.16       0.32    -1.83     16
   2       C    -0.14    -2.98     0.87    -153.51      -0.13    -3.11     16
   3       C     0.51    15.17     6.78      36.01       0.24    15.41     16
   4       O    -0.69   -22.82    17.83     -20.23      -0.36   -23.18     16
   5       O    -0.69   -22.80    16.65     -20.23      -0.34   -23.14     16
   6       C    -0.10    -1.71     5.90     -24.90      -0.15    -1.85     16
   7       C     0.12     1.50     6.59      -3.06      -0.02     1.48     16
   8       N    -1.00   -13.82     3.68    -111.42      -0.41   -14.23     16
   9       S     2.70    31.88     5.93    -107.50      -0.64    31.25     16
  10       O    -0.93   -13.97    16.87     -57.17      -0.96   -14.93     16
  11       O    -0.94   -11.24    16.87     -57.17      -0.96   -12.21     16
  12       C    -0.63    -5.41     5.97     -39.58      -0.24    -5.64     16
  13       C    -0.01    -0.03     9.52     -39.58      -0.38    -0.41     16
  14       C    -0.08    -0.23    10.05     -39.58      -0.40    -0.62     16
  15       C    -0.06    -0.36     8.62     -39.58      -0.34    -0.71     16
  16       C     0.36     3.79     4.82     -39.58      -0.19     3.59     16
  17       F    -0.13    -2.56    16.66       2.25       0.04    -2.52     16
  18       F    -0.19    -2.95    15.31       2.25       0.03    -2.92     16
  19       F    -0.14    -2.60    15.30       2.25       0.03    -2.56     16
  20       F    -0.18    -2.85    15.31       2.25       0.03    -2.82     16
  21       F    -0.16    -2.79    15.32       2.25       0.03    -2.76     16
  22       C    -0.01    -0.14     8.10     -39.59      -0.32    -0.46     16
  23       C     0.14     2.64     5.54      -2.53      -0.01     2.63     16
  24       H     0.04     0.53     7.80     -51.93      -0.40     0.12     16
  25       H     0.06     1.24     8.07     -51.93      -0.42     0.82     16
  26       H     0.05     0.94     8.14     -51.93      -0.42     0.52     16
  27       H     0.07     1.38     8.03     -51.93      -0.42     0.96     16
  28       H     0.08     1.26     8.05     -51.93      -0.42     0.84     16
  29       H     0.07     0.81     8.14     -51.93      -0.42     0.39     16
  30       H     0.06     0.55     8.14     -51.93      -0.42     0.12     16
  31       H     0.18     0.37     7.62     -52.49      -0.40    -0.03     16
  32       H     0.19    -0.31     8.06     -52.48      -0.42    -0.73     16
  33       H     0.19     0.83     7.40     -52.48      -0.39     0.44     16
  34       H     0.20     2.23     6.96     -52.49      -0.37     1.87     16
  35       H     0.07     1.24     8.05     -51.93      -0.42     0.82     16
  36       H     0.09     1.93     7.45     -51.93      -0.39     1.55     16
 Total:         -1.00   -43.43   338.95                 -5.32   -48.74