REAL300017246237.mol2 37                                                        
   1       C    -0.11    -1.36     9.70      37.16       0.36    -1.00     16
   2       C    -0.13    -2.21     2.51    -154.50      -0.39    -2.59     16
   3       C     0.12     2.25     2.91     -69.08      -0.20     2.05     16
   4       N    -1.07   -17.20     3.98      -5.89      -0.02   -17.22     16
   5       S     2.69    38.56     5.65    -107.50      -0.61    37.95     16
   6       O    -0.95   -14.00    17.28     -57.17      -0.99   -14.99     16
   7       O    -0.92   -17.32    17.05     -57.17      -0.97   -18.29     16
   8       C    -0.67    -6.46     5.82     -39.58      -0.23    -6.69     16
   9       C     0.04     0.34     8.88     -39.59      -0.35    -0.01     16
  10       C    -0.13    -1.11     8.62     -39.58      -0.34    -1.46     16
  11       C     0.42     4.27     4.82     -39.58      -0.19     4.08     16
  12       F    -0.13    -2.54    16.66       2.25       0.04    -2.50     16
  13       F    -0.17    -2.64    15.31       2.25       0.03    -2.60     16
  14       F    -0.17    -2.66    15.32       2.25       0.03    -2.62     16
  15       F    -0.17    -2.68    15.32       2.25       0.03    -2.65     16
  16       F    -0.16    -2.57    15.31       2.25       0.03    -2.54     16
  17       C    -0.13    -0.99     8.62     -39.59      -0.34    -1.33     16
  18       C     0.04     0.25     9.52     -39.58      -0.38    -0.12     16
  19       C     0.49    13.68     5.49      36.00       0.20    13.88     16
  20       O    -0.69   -21.08    15.93     -20.23      -0.32   -21.40     16
  21       O    -0.67   -21.03    17.36     -20.23      -0.35   -21.39     16
  22       C    -0.17    -3.03     9.26     -26.73      -0.25    -3.28     16
  23       C    -0.16    -2.75     9.56     -26.73      -0.26    -3.00     16
  24       H     0.06     0.62     7.90     -51.93      -0.41     0.21     16
  25       H     0.06     0.62     6.25     -51.93      -0.32     0.30     16
  26       H     0.05     0.57     8.14     -51.93      -0.42     0.15     16
  27       H     0.08     1.28     7.21     -51.93      -0.37     0.91     16
  28       H     0.42     6.03     7.89     -34.47      -0.27     5.76     16
  29       H     0.20     1.60     7.62     -52.49      -0.40     1.20     16
  30       H     0.19     1.41     7.40     -52.49      -0.39     1.02     16
  31       H     0.19     1.10     7.40     -52.48      -0.39     0.71     16
  32       H     0.19     0.79     7.62     -52.48      -0.40     0.39     16
  33       H     0.11     2.51     6.19     -51.93      -0.32     2.19     16
  34       H     0.08     1.26     8.05     -51.93      -0.42     0.84     16
  35       H     0.08     1.16     8.14     -51.93      -0.42     0.74     16
  36       H     0.11     2.17     7.09     -51.93      -0.37     1.80     16
 Total:         -1.00   -41.17   337.79                 -5.28   -46.44