REAL300008266671.mol2 37                                                        
   1       C    -0.10    -1.83     8.28      37.16       0.31    -1.52     16
   2       C    -0.12    -2.15     6.33     -90.62      -0.57    -2.73     16
   3       C    -0.15    -2.50     5.52     -90.62      -0.50    -3.00     16
   4       H     0.12     1.96     6.32     -51.93      -0.33     1.63     16
   5       C    -0.13    -2.18     8.56      37.16       0.32    -1.86     16
   6       C     0.02     0.45     2.71    -132.97      -0.36     0.09     16
   7       N    -1.06   -18.33     5.76      -0.40       0.00   -18.33     16
   8       S     2.70    44.26     5.73    -107.50      -0.62    43.65     16
   9       O    -0.96   -17.04    17.28     -57.17      -0.99   -18.03     16
  10       O    -0.94   -15.40    14.63     -57.17      -0.84   -16.23     16
  11       C    -0.60    -9.73     4.21     -39.59      -0.17    -9.89     16
  12       C     0.03     0.45     8.58     -39.58      -0.34     0.11     16
  13       C    -0.08    -0.94    10.05     -39.58      -0.40    -1.33     16
  14       C    -0.05    -0.69     8.62     -39.58      -0.34    -1.04     16
  15       C     0.31     5.31     4.82     -39.59      -0.19     5.12     16
  16       F    -0.13    -2.84    16.66       2.25       0.04    -2.80     16
  17       F    -0.08    -1.48    15.32       2.25       0.03    -1.44     16
  18       F    -0.17    -4.00    15.30       2.25       0.03    -3.97     16
  19       F    -0.10    -1.90    15.31       2.25       0.03    -1.87     16
  20       F    -0.30    -6.66    15.32       2.25       0.03    -6.62     16
  21       C     0.02     0.30     8.09     -39.58      -0.32    -0.02     16
  22       C     0.52    13.08     6.72      36.01       0.24    13.32     16
  23       O    -0.67   -18.32    12.66     -20.23      -0.26   -18.58     16
  24       O    -0.68   -17.88    15.01     -20.23      -0.30   -18.19     16
  25       H     0.08     1.48     5.07     -51.93      -0.26     1.22     16
  26       H     0.03     0.47     8.14     -51.93      -0.42     0.04     16
  27       H     0.06     1.32     7.37     -51.93      -0.38     0.94     16
  28       H     0.10     1.47     8.14     -51.93      -0.42     1.05     16
  29       H     0.09     1.77     4.79     -51.93      -0.25     1.52     16
  30       H     0.05     0.69     8.14     -51.92      -0.42     0.26     16
  31       H     0.06     0.82     8.14     -51.93      -0.42     0.39     16
  32       H     0.42     6.38     8.96     -34.47      -0.31     6.07     16
  33       H     0.17     1.96     7.62     -52.49      -0.40     1.56     16
  34       H     0.18     1.13     8.06     -52.48      -0.42     0.71     16
  35       H     0.18     1.73     7.40     -52.49      -0.39     1.34     16
  36       H     0.18     3.24     6.96     -52.49      -0.37     2.88     16
 Total:         -1.00   -35.60   326.61                 -5.03   -40.62