REAL300017430599.mol2 37                                                        
   1       C    -0.15    -2.64     6.71      37.16       0.25    -2.39     16
   2       C     0.12     2.31     0.97    -132.97      -0.13     2.18     16
   3       N    -1.07   -17.08     5.03      -0.40       0.00   -17.08     16
   4       S     2.71    40.70     5.39    -107.50      -0.58    40.12     16
   5       O    -0.96   -14.99    17.44     -57.17      -1.00   -15.98     16
   6       O    -0.95   -14.90    13.65     -57.17      -0.78   -15.68     16
   7       C    -0.64    -9.71     3.62     -39.58      -0.14    -9.85     16
   8       C     0.04     0.53     8.47     -39.59      -0.34     0.20     16
   9       C    -0.13    -1.95     8.62     -39.58      -0.34    -2.29     16
  10       C     0.42     7.20     4.82     -39.58      -0.19     7.01     16
  11       F    -0.16    -3.66    16.66       2.25       0.04    -3.62     16
  12       F    -0.15    -3.28    15.31       2.25       0.03    -3.25     16
  13       F    -0.19    -3.74    15.31       2.25       0.03    -3.71     16
  14       F    -0.19    -3.73    15.31       2.25       0.03    -3.69     16
  15       F    -0.15    -3.22    15.31       2.25       0.03    -3.19     16
  16       C    -0.13    -1.87     8.62     -39.58      -0.34    -2.21     16
  17       C     0.07     1.01     8.42     -39.58      -0.33     0.68     16
  18       C     0.49    11.75     4.14      36.00       0.15    11.90     16
  19       O    -0.67   -18.66    15.54     -20.22      -0.31   -18.97     16
  20       O    -0.68   -17.16    14.44     -20.23      -0.29   -17.46     16
  21       C    -0.14    -2.36     5.35     -90.62      -0.48    -2.84     16
  22       C    -0.18    -3.18     9.55     -26.73      -0.26    -3.43     16
  23       C    -0.17    -2.72     9.23     -26.73      -0.25    -2.97     16
  24       H     0.07     1.06     7.46     -51.93      -0.39     0.67     16
  25       H     0.08     1.35     6.73     -51.93      -0.35     1.00     16
  26       H     0.05     0.88     3.88     -51.92      -0.20     0.67     16
  27       H     0.42     5.66     8.70     -34.47      -0.30     5.36     16
  28       H     0.19     2.31     5.75     -52.48      -0.30     2.00     16
  29       H     0.19     2.48     7.40     -52.49      -0.39     2.09     16
  30       H     0.19     2.33     7.40     -52.49      -0.39     1.94     16
  31       H     0.18     2.01     7.76     -52.48      -0.41     1.60     16
  32       H     0.10     1.41     8.14     -51.93      -0.42     0.99     16
  33       H     0.08     1.22     8.14     -51.93      -0.42     0.80     16
  34       H     0.11     2.53     5.89     -51.93      -0.31     2.22     16
  35       H     0.11     2.00     6.57     -51.93      -0.34     1.66     16
  36       H     0.08     1.12     8.14     -51.93      -0.42     0.70     16
 Total:         -1.00   -34.98   319.87                 -5.01   -39.99