REAL300020207966.mol2 37                                                        
   1       O    -0.53    -8.98    15.44      -8.05      -0.12    -9.11     16
   2       C     0.52     6.79     7.71     -10.99      -0.08     6.70     16
   3       C    -0.16    -1.46     5.39     -27.89      -0.15    -1.61     16
   4       C     0.13     1.37     3.12     -27.98      -0.09     1.28     16
   5       O    -0.38    -5.75    13.97     -63.28      -0.88    -6.64     16
   6       O    -0.59    -8.85    18.54     -56.58      -1.05    -9.90     16
   7       C     0.24     2.00    10.27     -38.81      -0.40     1.60     16
   8       C    -0.12    -0.55    10.09     -39.33      -0.40    -0.95     16
   9       C    -0.08    -0.13    10.04     -39.59      -0.40    -0.53     16
  10       C    -0.10    -0.16    10.04     -39.48      -0.40    -0.56     16
  11       C    -0.09    -0.30    10.04     -39.63      -0.40    -0.70     16
  12       C    -0.08    -0.52     5.56    -104.35      -0.58    -1.10     16
  13       N    -0.72    -8.94     5.55     -61.47      -0.34    -9.28     16
  14       C     0.21     2.90     6.25      -5.19      -0.03     2.86     16
  15       C     0.01     0.18     6.73     -13.55      -0.09     0.09     16
  16       N    -0.42    -8.98    10.55      -8.41      -0.09    -9.06     16
  17       C     0.19     4.51     6.72     -84.60      -0.57     3.94     16
  18       C     0.11     3.06     8.14    -156.42      -1.27     1.79     16
  19       N    -0.37   -10.94    12.37      32.14       0.40   -10.54     16
  20       N    -0.19    -5.88    13.46      60.35       0.81    -5.06     16
  21       N    -0.19    -6.06    13.45      60.35       0.81    -5.24     16
  22       N    -0.35   -10.81    12.46      32.14       0.40   -10.41     16
  23       C    -0.23    -4.33    11.12      29.50       0.33    -4.00     16
  24       S     0.11     1.60    23.16    -107.50      -2.49    -0.89     16
  25       H     0.10     0.61     8.14     -51.93      -0.42     0.18     16
  26       H     0.10     0.85     8.14     -51.93      -0.42     0.42     16
  27       H     0.10     1.13     7.93     -51.93      -0.41     0.71     16
  28       H     0.35     4.47     9.30      45.56       0.42     4.90     16
  29       H     0.16     0.54     8.06     -52.49      -0.42     0.12     16
  30       H     0.16    -0.22     8.06     -52.49      -0.42    -0.64     16
  31       H     0.15    -0.16     8.06     -52.49      -0.42    -0.58     16
  32       H     0.16     0.21     8.06     -52.49      -0.42    -0.22     16
  33       H     0.40     4.31     8.46     -40.82      -0.35     3.96     16
  34       H     0.09     1.15     8.14     -51.93      -0.42     0.72     16
  35       H     0.10     1.48     8.14     -51.93      -0.42     1.06     16
  36       H     0.18     3.30     8.06     -52.49      -0.42     2.87     16
 Total:         -1.00   -42.60   348.73                 -5.97   -48.56