REAL300010901247.mol2 33                                                        
   1       C    -0.16    -2.89     8.22      37.16       0.31    -2.59     16
   2       C     0.10     2.00     1.04    -132.96      -0.14     1.86     16
   3       C    -0.17    -2.79     6.75      37.16       0.25    -2.53     16
   4       N    -1.07   -18.09     5.48      -0.40       0.00   -18.09     16
   5       S     2.69    35.61     5.35    -107.50      -0.58    35.03     16
   6       O    -0.94   -13.40    14.20     -57.17      -0.81   -14.21     16
   7       O    -0.95   -14.02    17.66     -57.17      -1.01   -15.03     16
   8       C    -0.67    -6.83     3.88     -39.58      -0.15    -6.99     16
   9       C     0.04     0.32     9.54     -39.58      -0.38    -0.06     16
  10       C    -0.13    -1.23     8.62     -39.59      -0.34    -1.57     16
  11       C     0.41     4.64     4.82     -39.58      -0.19     4.45     16
  12       F    -0.01    -0.21    16.66       2.25       0.04    -0.18     16
  13       F    -0.12    -1.80    15.31       2.25       0.03    -1.77     16
  14       F    -0.19    -2.98    15.32       2.25       0.03    -2.95     16
  15       F    -0.24    -3.87    15.32       2.25       0.03    -3.84     16
  16       F    -0.22    -3.58    15.31       2.25       0.03    -3.54     16
  17       C    -0.13    -1.19     8.62     -39.58      -0.34    -1.53     16
  18       C     0.03     0.30     6.95     -39.58      -0.27     0.02     16
  19       C     0.51    14.12     6.79      36.00       0.24    14.36     16
  20       O    -0.68   -21.20    17.30     -20.23      -0.35   -21.55     16
  21       O    -0.68   -20.77    16.59     -20.23      -0.34   -21.11     16
  22       H     0.07     1.38     7.91     -51.93      -0.41     0.97     16
  23       H     0.05     1.04     8.14     -51.93      -0.42     0.61     16
  24       H     0.07     1.16     5.85     -51.93      -0.30     0.86     16
  25       H     0.05     0.61     4.66     -51.93      -0.24     0.37     16
  26       H     0.06     0.84     7.02     -51.93      -0.36     0.48     16
  27       H     0.09     1.64     7.73     -51.93      -0.40     1.24     16
  28       H     0.43     7.59     7.63     -34.48      -0.26     7.33     16
  29       H     0.19     1.20     7.93     -52.49      -0.42     0.79     16
  30       H     0.19     1.49     7.40     -52.48      -0.39     1.10     16
  31       H     0.19     1.35     7.40     -52.49      -0.39     0.96     16
  32       H     0.20     1.25     6.65     -52.49      -0.35     0.90     16
 Total:         -1.00   -38.33   298.03                 -3.38   -41.72