REAL300018422147.mol2 36                                                        
   1       O    -0.66   -16.49    17.77     -20.69      -0.37   -16.86     16
   2       C     0.54    11.85     8.02      33.91       0.27    12.12     16
   3       O    -0.67   -16.44    17.87     -20.70      -0.37   -16.81     16
   4       C    -0.21    -2.84     6.51     -36.87      -0.24    -3.08     16
   5       C     0.04     0.38    11.17     -18.45      -0.21     0.17     16
   6       N    -0.45    -2.44    10.50     -11.22      -0.12    -2.56     16
   7       C    -0.06    -0.03     6.63     -13.28      -0.09    -0.12     16
   8       C    -0.05     0.43     6.02     -27.88      -0.17     0.26     16
   9       C     0.00     0.00     5.35      -3.82      -0.02    -0.02     16
  10       N    -0.50     9.36     1.59    -115.05      -0.18     9.18     16
  11       H     0.43    -7.68     7.04     -39.29      -0.28    -7.96     16
  12       H     0.42    -9.52     8.66     -39.29      -0.34    -9.86     16
  13       C     0.05    -0.80     4.64      -4.97      -0.02    -0.82     16
  14       C    -0.14     2.26     5.38    -104.29      -0.56     1.70     16
  15       C    -0.06     1.01     9.66     -39.63      -0.38     0.63     16
  16       C    -0.10     1.70    10.04     -39.48      -0.40     1.31     16
  17       C    -0.04     0.65    10.03     -39.63      -0.40     0.26     16
  18       C    -0.11     1.39     9.75     -39.25      -0.38     1.01     16
  19       C     0.31    -3.81     9.76     -38.72      -0.38    -4.19     16
  20       O    -0.73     5.78    12.35     -57.73      -0.71     5.07     16
  21       O    -0.58     2.00    17.25     -57.73      -1.00     1.01     16
  22       S     0.18     0.96    23.00    -107.50      -2.47    -1.51     16
  23       H     0.19     2.00     8.06     -52.49      -0.42     1.58     16
  24       H     0.11    -1.01     8.14     -51.93      -0.42    -1.43     16
  25       H     0.10    -1.19     8.14     -51.93      -0.42    -1.62     16
  26       H     0.13    -2.00     8.14     -51.93      -0.42    -2.43     16
  27       H     0.14    -1.64     8.14     -51.93      -0.42    -2.06     16
  28       H     0.14    -2.91     8.00     -51.93      -0.42    -3.33     16
  29       H     0.17    -2.41     5.78     -51.93      -0.30    -2.71     16
  30       H     0.18    -3.57     8.03     -52.49      -0.42    -3.99     16
  31       H     0.17    -2.96     8.06     -52.49      -0.42    -3.38     16
  32       H     0.18    -2.89     8.06     -52.48      -0.42    -3.31     16
  33       H     0.18    -2.09     7.77     -52.49      -0.41    -2.50     16
  34       H     0.35    -2.42     8.90      45.56       0.41    -2.01     16
  35       H     0.36    -1.85     8.90      45.56       0.41    -1.44     16
 Total:          0.00   -47.22   323.12                 -7.63   -54.85