REAL300007748032.mol2 37                                                        
   1       C    -0.17    -3.44     7.76      37.16       0.29    -3.15     16
   2       C     0.17     3.11     3.40     -66.95      -0.23     2.88     16
   3       C    -0.16    -3.47     3.35     -89.93      -0.30    -3.78     16
   4       C     0.51    14.86     5.17      36.01       0.19    15.04     16
   5       O    -0.69   -21.69    15.79     -20.22      -0.32   -22.01     16
   6       O    -0.69   -23.40    18.00     -20.23      -0.36   -23.76     16
   7       C    -0.11    -1.90     6.42     -24.58      -0.16    -2.06     16
   8       C     0.12     1.50     6.98      -2.53      -0.02     1.48     16
   9       N    -0.99   -14.13     3.41    -104.42      -0.36   -14.49     16
  10       S     2.70    33.58     5.49    -107.50      -0.59    32.99     16
  11       O    -0.93   -14.17    16.50     -57.17      -0.94   -15.11     16
  12       O    -0.94   -11.59    16.87     -57.17      -0.96   -12.56     16
  13       C    -0.63    -6.22     5.97     -39.58      -0.24    -6.46     16
  14       C    -0.01    -0.03     9.52     -39.58      -0.38    -0.41     16
  15       C    -0.08    -0.32    10.05     -39.58      -0.40    -0.72     16
  16       C    -0.06    -0.44     8.62     -39.58      -0.34    -0.78     16
  17       C     0.36     4.33     4.82     -39.59      -0.19     4.14     16
  18       F    -0.13    -2.76    16.66       2.25       0.04    -2.72     16
  19       F    -0.19    -3.18    15.31       2.25       0.03    -3.14     16
  20       F    -0.13    -2.62    15.31       2.25       0.03    -2.58     16
  21       F    -0.17    -3.09    15.32       2.25       0.03    -3.06     16
  22       F    -0.17    -3.09    15.31       2.25       0.03    -3.05     16
  23       C    -0.01    -0.16     7.12     -39.58      -0.28    -0.44     16
  24       H     0.07     1.50     7.61     -51.93      -0.39     1.10     16
  25       H     0.09     2.11     6.93     -51.93      -0.36     1.75     16
  26       H     0.04     0.65     5.30     -51.93      -0.28     0.38     16
  27       H     0.08     1.47     8.14     -51.93      -0.42     1.05     16
  28       H     0.08     1.60     8.14     -51.93      -0.42     1.18     16
  29       H     0.07     1.13     8.14     -51.93      -0.42     0.71     16
  30       H     0.09     1.67     7.24     -51.93      -0.38     1.29     16
  31       H     0.07     0.82     8.14     -51.93      -0.42     0.39     16
  32       H     0.07     0.63     8.14     -51.93      -0.42     0.20     16
  33       H     0.18     0.53     7.62     -52.49      -0.40     0.13     16
  34       H     0.19    -0.12     8.06     -52.49      -0.42    -0.55     16
  35       H     0.19     1.06     7.40     -52.49      -0.39     0.67     16
  36       H     0.20     2.57     5.46     -52.49      -0.29     2.29     16
 Total:         -1.00   -42.74   329.48                 -5.47   -48.21