REAL300010809544.mol2 37                                                        
   1       C    -0.15    -2.69     7.73      37.16       0.29    -2.40     16
   2       C     0.06     1.24     3.03     -69.09      -0.21     1.03     16
   3       C     0.49    12.79     5.94      36.00       0.21    13.00     16
   4       O    -0.67   -18.43    14.04     -20.23      -0.28   -18.71     16
   5       O    -0.69   -21.21    18.00     -20.23      -0.36   -21.57     16
   6       N    -0.93   -15.67     2.87    -101.51      -0.29   -15.96     16
   7       C     0.10     1.59     5.33     -67.93      -0.36     1.22     16
   8       C    -0.13    -2.31     7.38     -26.73      -0.20    -2.51     16
   9       C    -0.22    -3.08     9.61     -26.73      -0.26    -3.34     16
  10       S     2.69    38.30     5.69    -107.50      -0.61    37.69     16
  11       O    -0.94   -13.59    16.49     -57.17      -0.94   -14.53     16
  12       O    -0.94   -14.83    15.84     -57.17      -0.91   -15.74     16
  13       C    -0.67    -8.11     5.97     -39.58      -0.24    -8.35     16
  14       C     0.04     0.51     9.52     -39.59      -0.38     0.13     16
  15       C    -0.13    -1.50     8.62     -39.58      -0.34    -1.84     16
  16       C     0.42     5.60     4.82     -39.58      -0.19     5.41     16
  17       F    -0.14    -2.96    16.66       2.25       0.04    -2.92     16
  18       F    -0.16    -2.99    15.31       2.25       0.03    -2.96     16
  19       F    -0.18    -3.13    15.31       2.25       0.03    -3.10     16
  20       F    -0.18    -3.13    15.31       2.25       0.03    -3.10     16
  21       F    -0.15    -2.91    15.31       2.25       0.03    -2.87     16
  22       C    -0.13    -1.39     8.62     -39.58      -0.34    -1.73     16
  23       C     0.04     0.39     9.52     -39.58      -0.38     0.01     16
  24       H     0.05     0.75     7.72     -51.93      -0.40     0.35     16
  25       H     0.07     1.27     4.00     -51.93      -0.21     1.06     16
  26       H     0.07     1.21     8.14     -51.93      -0.42     0.79     16
  27       H     0.10     1.82     6.90     -51.93      -0.36     1.46     16
  28       H     0.12     1.59     8.07     -51.93      -0.42     1.17     16
  29       H     0.09     1.45     8.14     -51.93      -0.42     1.03     16
  30       H     0.12     2.49     3.73     -51.93      -0.19     2.30     16
  31       H     0.10     1.36     5.74     -51.93      -0.30     1.06     16
  32       H     0.09     1.07     8.14     -51.93      -0.42     0.65     16
  33       H     0.19     1.87     7.62     -52.48      -0.40     1.47     16
  34       H     0.19     1.94     7.40     -52.49      -0.39     1.55     16
  35       H     0.19     1.63     7.40     -52.49      -0.39     1.24     16
  36       H     0.19     1.30     7.62     -52.49      -0.40     0.90     16
 Total:         -1.00   -37.76   327.56                 -5.40   -43.16