REAL300018402513.mol2 37                                                        
   1       C    -0.25    -2.89     9.15     101.05       0.92    -1.96     16
   2       S     0.18     3.16    19.44    -107.50      -2.09     1.07     16
   3       C    -0.10    -2.02     6.16     -38.43      -0.24    -2.26     16
   4       C    -0.11    -1.63     9.35     -39.43      -0.37    -2.00     16
   5       C    -0.14    -2.10     9.29     -39.35      -0.37    -2.46     16
   6       C     0.22     3.64     6.65     -83.73      -0.56     3.08     16
   7       N    -0.61    -9.10     4.96     -59.80      -0.30    -9.39     16
   8       C     0.16     2.04     4.07      -5.20      -0.02     2.02     16
   9       C    -0.12    -1.47     5.28    -104.29      -0.55    -2.02     16
  10       C    -0.08    -0.68     9.66     -39.63      -0.38    -1.06     16
  11       C    -0.14    -0.98    10.04     -39.48      -0.40    -1.37     16
  12       C    -0.08    -0.70    10.03     -39.63      -0.40    -1.10     16
  13       C    -0.13    -1.67     9.75     -39.25      -0.38    -2.05     16
  14       C     0.27     4.53     9.76     -38.72      -0.38     4.15     16
  15       O    -0.79   -21.19    17.25     -57.73      -1.00   -22.19     16
  16       O    -0.77   -18.54    13.35     -57.73      -0.77   -19.31     16
  17       C    -0.11    -2.25     9.43     -38.93      -0.37    -2.61     16
  18       C    -0.08    -1.86     5.89    -104.84      -0.62    -2.48     16
  19       C     0.52    15.26     7.98      34.28       0.27    15.53     16
  20       O    -0.66   -21.72    17.24     -20.60      -0.36   -22.07     16
  21       O    -0.65   -19.81    14.64     -20.60      -0.30   -20.11     16
  22       H     0.08     0.80     7.75     -51.92      -0.40     0.40     16
  23       H     0.08     0.85     7.75     -51.92      -0.40     0.45     16
  24       H     0.10     1.00     8.14     -51.92      -0.42     0.58     16
  25       H     0.13     1.56     5.88     -52.48      -0.31     1.25     16
  26       H     0.13     1.59     6.70     -52.49      -0.35     1.24     16
  27       H     0.41     6.03     8.47     -40.82      -0.35     5.68     16
  28       H     0.08     0.77     7.79     -51.93      -0.40     0.37     16
  29       H     0.13     2.13     5.58     -51.93      -0.29     1.84     16
  30       H     0.15     0.81     8.03     -52.49      -0.42     0.39     16
  31       H     0.14     0.57     8.06     -52.49      -0.42     0.15     16
  32       H     0.15     0.78     8.06     -52.48      -0.42     0.36     16
  33       H     0.16     2.26     7.77     -52.49      -0.41     1.85     16
  34       H     0.30     7.66     8.90      45.56       0.41     8.06     16
  35       H     0.30     7.29     8.90      45.56       0.41     7.70     16
  36       H     0.14     3.02     7.65     -52.49      -0.40     2.62     16
 Total:         -1.00   -42.83   324.83                 -7.93   -50.77