REAL300008281755.mol2 37                                                        
   1       O    -0.70   -22.76    17.38     -20.23      -0.35   -23.12     16
   2       C     0.50    14.32     6.43      36.00       0.23    14.55     16
   3       O    -0.69   -21.29    15.81     -20.23      -0.32   -21.61     16
   4       C    -0.16    -3.42     3.33     -90.12      -0.30    -3.72     16
   5       H     0.08     1.56     8.14     -51.93      -0.42     1.14     16
   6       C    -0.10    -1.73     5.87     -24.74      -0.15    -1.88     16
   7       C    -0.12    -1.58     6.83     -25.07      -0.17    -1.75     16
   8       C    -0.15    -1.73     6.60     -25.51      -0.17    -1.90     16
   9       C     0.16     2.61     3.29     -66.71      -0.22     2.39     16
  10       H     0.09     1.22     7.54     -51.93      -0.39     0.83     16
  11       N    -1.06   -18.35     3.55      -3.85      -0.01   -18.37     16
  12       S     2.69    41.29     5.72    -107.50      -0.61    40.67     16
  13       O    -0.94   -17.13    17.28     -57.17      -0.99   -18.12     16
  14       O    -0.92   -16.11    16.65     -57.17      -0.95   -17.06     16
  15       C    -0.63    -6.14     5.95     -39.58      -0.24    -6.37     16
  16       C    -0.01    -0.04     9.52     -39.58      -0.38    -0.42     16
  17       C    -0.08    -0.26    10.05     -39.58      -0.40    -0.66     16
  18       C    -0.06    -0.38     8.62     -39.59      -0.34    -0.73     16
  19       C     0.35     3.63     4.82     -39.59      -0.19     3.44     16
  20       F    -0.14    -2.66    16.66       2.25       0.04    -2.62     16
  21       F    -0.18    -2.75    15.31       2.25       0.03    -2.72     16
  22       F    -0.15    -2.58    15.31       2.25       0.03    -2.54     16
  23       F    -0.17    -2.69    15.32       2.25       0.03    -2.65     16
  24       F    -0.15    -2.61    15.31       2.25       0.03    -2.57     16
  25       C    -0.01    -0.14     8.10     -39.59      -0.32    -0.46     16
  26       H     0.06     1.15     8.14     -51.93      -0.42     0.73     16
  27       H     0.07     1.28     8.05     -51.93      -0.42     0.86     16
  28       H     0.06     0.71     8.14     -51.93      -0.42     0.29     16
  29       H     0.06     0.71     8.14     -51.93      -0.42     0.29     16
  30       H     0.07     0.54     8.14     -51.93      -0.42     0.11     16
  31       H     0.07     0.74     7.92     -51.93      -0.41     0.32     16
  32       H     0.43     8.16     7.73     -34.47      -0.27     7.89     16
  33       H     0.18     0.74     7.62     -52.49      -0.40     0.34     16
  34       H     0.19    -0.21     8.06     -52.49      -0.42    -0.63     16
  35       H     0.19     0.81     7.40     -52.49      -0.39     0.42     16
  36       H     0.19     2.15     6.96     -52.48      -0.37     1.79     16
 Total:         -1.00   -42.96   335.70                 -5.82   -48.78