REAL300020169934.mol2 41                                                        
   1       C    -0.12    -1.06    10.76     101.05       1.09     0.03     16
   2       S    -0.27    -3.44    22.38    -107.50      -2.41    -5.84     16
   3       C    -0.08    -1.02     5.83      37.16       0.22    -0.80     16
   4       C    -0.10    -1.75     4.74     -26.73      -0.13    -1.87     16
   5       C     0.27     5.81     2.51     -69.08      -0.17     5.64     16
   6       H     0.09     2.13     7.58     -51.93      -0.39     1.73     16
   7       N    -0.71   -12.99     4.52     -54.93      -0.25   -13.24     16
   8       C     0.52     9.96     7.67     -10.99      -0.08     9.87     16
   9       O    -0.52   -12.82    15.09      -8.77      -0.13   -12.95     16
  10       C    -0.16    -2.17     5.39     -27.88      -0.15    -2.32     16
  11       C     0.13     1.89     3.12     -27.97      -0.09     1.81     16
  12       O    -0.35    -7.47    13.93     -63.49      -0.88    -8.36     16
  13       O    -0.58   -11.63    18.54     -56.57      -1.05   -12.68     16
  14       C     0.23     2.74    10.28     -38.81      -0.40     2.34     16
  15       C    -0.12    -0.92    10.09     -39.33      -0.40    -1.32     16
  16       C    -0.08    -0.34    10.04     -39.59      -0.40    -0.74     16
  17       C    -0.11    -0.38    10.04     -39.48      -0.40    -0.78     16
  18       C    -0.09    -0.52    10.04     -39.63      -0.40    -0.92     16
  19       C    -0.07    -0.75     5.57    -104.35      -0.58    -1.33     16
  20       C     0.04     1.28     7.16    -156.72      -1.12     0.16     16
  21       N    -0.38   -11.68    12.43      32.44       0.40   -11.28     16
  22       N    -0.20    -6.66    13.47      60.35       0.81    -5.85     16
  23       N    -0.20    -6.69    13.47      60.35       0.81    -5.88     16
  24       N    -0.38   -12.18    12.43      32.44       0.40   -11.78     16
  25       H     0.07     0.56     8.14     -51.92      -0.42     0.14     16
  26       H     0.10     0.73     8.14     -51.93      -0.42     0.31     16
  27       H     0.07     0.61     8.14     -51.92      -0.42     0.18     16
  28       H     0.08     1.07     8.14     -51.92      -0.42     0.64     16
  29       H     0.08     0.93     7.75     -51.92      -0.40     0.53     16
  30       H     0.08     1.46     8.14     -51.93      -0.42     1.04     16
  31       H     0.09     1.66     8.14     -51.93      -0.42     1.24     16
  32       H     0.40     5.88     8.60     -40.82      -0.35     5.52     16
  33       H     0.10     0.82     8.14     -51.93      -0.42     0.40     16
  34       H     0.10     1.43     8.14     -51.93      -0.42     1.00     16
  35       H     0.10     1.47     7.95     -51.93      -0.41     1.06     16
  36       H     0.35     6.55     9.30      45.56       0.42     6.97     16
  37       H     0.16     1.03     8.06     -52.49      -0.42     0.61     16
  38       H     0.16     0.12     8.06     -52.49      -0.42    -0.30     16
  39       H     0.15     0.07     8.06     -52.49      -0.42    -0.36     16
  40       H     0.16     0.44     8.06     -52.49      -0.42     0.02     16
 Total:         -1.00   -45.82   368.02                 -5.96   -51.78