REAL300018402514.mol2 37                                                        
   1       C    -0.22    -3.36     9.15     101.05       0.92    -2.43     16
   2       S     0.01     0.18    19.44    -107.50      -2.09    -1.91     16
   3       C    -0.11    -2.52     6.16     -38.43      -0.24    -2.76     16
   4       C    -0.11    -1.94     9.35     -39.43      -0.37    -2.30     16
   5       C    -0.18    -2.69     9.29     -39.35      -0.37    -3.06     16
   6       C     0.18     2.87     6.65     -83.73      -0.56     2.32     16
   7       N    -0.76    -8.16     5.74     -59.80      -0.34    -8.51     16
   8       C     0.17     1.14     5.03      -5.20      -0.03     1.11     16
   9       C    -0.09    -0.46     5.25    -104.53      -0.55    -1.01     16
  10       C    -0.06    -0.26     9.68     -39.63      -0.38    -0.64     16
  11       C    -0.11    -0.72     9.75     -39.25      -0.38    -1.10     16
  12       C     0.33     3.01     9.80     -38.73      -0.38     2.63     16
  13       O    -0.68   -10.71    17.25     -57.73      -1.00   -11.71     16
  14       O    -0.68   -10.71    17.25     -57.73      -1.00   -11.71     16
  15       C    -0.11    -0.72     9.75     -39.25      -0.38    -1.10     16
  16       C    -0.06    -0.26     9.68     -39.63      -0.38    -0.64     16
  17       C    -0.13    -2.76     9.43     -38.93      -0.37    -3.13     16
  18       C    -0.08    -2.05     5.89    -104.84      -0.62    -2.67     16
  19       C     0.52    16.56     7.98      34.27       0.27    16.84     16
  20       O    -0.68   -23.67    17.24     -20.60      -0.36   -24.02     16
  21       O    -0.65   -21.90    14.64     -20.61      -0.30   -22.20     16
  22       H     0.09     1.25     8.14     -51.93      -0.42     0.82     16
  23       H     0.07     0.93     7.75     -51.92      -0.40     0.52     16
  24       H     0.06     0.93     7.75     -51.92      -0.40     0.52     16
  25       H     0.12     1.74     5.88     -52.49      -0.31     1.43     16
  26       H     0.11     1.28     6.70     -52.49      -0.35     0.93     16
  27       H     0.40     4.09     8.47     -40.82      -0.35     3.74     16
  28       H     0.07     0.45     7.87     -51.93      -0.41     0.04     16
  29       H     0.07     0.45     7.89     -51.93      -0.41     0.04     16
  30       H     0.17     0.47     8.06     -52.49      -0.42     0.05     16
  31       H     0.17     1.14     7.77     -52.49      -0.41     0.73     16
  32       H     0.33     4.35     8.90      45.56       0.41     4.76     16
  33       H     0.33     4.35     8.90      45.56       0.41     4.76     16
  34       H     0.17     1.14     7.77     -52.48      -0.41     0.73     16
  35       H     0.17     0.47     8.06     -52.49      -0.42     0.05     16
  36       H     0.13     2.79     7.65     -52.49      -0.40     2.39     16
 Total:         -1.00   -43.31   331.98                 -8.18   -51.50