REAL300018650573.mol2 37                                                        
   1       O    -0.72   -41.63    17.54      16.94       0.30   -41.34     16
   2       C     0.52    26.22     7.84      68.62       0.54    26.76     16
   3       O    -0.73   -41.29    17.70      16.90       0.30   -40.99     16
   4       C    -0.27    -8.48     6.18      22.46       0.14    -8.34     16
   5       C    -0.07    -1.38     9.83      22.00       0.22    -1.16     16
   6       C    -0.20    -0.53     6.91      22.47       0.16    -0.38     16
   7       C    -0.18     0.42     6.96      22.76       0.16     0.58     16
   8       C    -0.05     1.10    10.01      21.85       0.22     1.32     16
   9       C    -0.20     7.25     5.89      24.64       0.15     7.40     16
  10       C     0.10    -5.70     5.83      85.56       0.50    -5.20     16
  11       N    -0.51    32.95     1.74    -521.98      -0.91    32.04     16
  12       H     0.44   -28.50     8.66     -89.69      -0.78   -29.28     16
  13       H     0.44   -29.52     8.66     -89.70      -0.78   -30.30     16
  14       C     0.06    -3.82     5.49      85.56       0.47    -3.35     16
  15       C    -0.11     5.63     5.36     -19.80      -0.11     5.52     16
  16       C    -0.02     0.72     9.68      22.24       0.22     0.94     16
  17       C    -0.13     3.31     9.75      22.48       0.22     3.53     16
  18       C     0.32    -4.96     9.80      22.82       0.22    -4.73     16
  19       O    -0.75    -9.97    17.25    -127.47      -2.20   -12.17     16
  20       O    -0.75    -9.87    17.25    -127.47      -2.20   -12.07     16
  21       C    -0.13     3.33     9.75      22.48       0.22     3.55     16
  22       C    -0.01     0.62     9.68      22.24       0.22     0.84     16
  23       S     0.20    -3.85    23.32     -56.49      -1.32    -5.16     16
  24       S     0.20     3.05    22.99     -56.49      -1.30     1.75     16
  25       H     0.12     2.98     7.93      -2.91      -0.02     2.96     16
  26       H     0.20    -6.73     8.06      -2.91      -0.02    -6.76     16
  27       H     0.20   -12.62     8.14      -2.39      -0.02   -12.64     16
  28       H     0.18   -10.95     8.14      -2.39      -0.02   -10.97     16
  29       H     0.19   -13.85     8.08      -2.39      -0.02   -13.87     16
  30       H     0.19   -13.32     8.08      -2.39      -0.02   -13.34     16
  31       H     0.23   -12.26     8.06      -2.91      -0.02   -12.28     16
  32       H     0.16    -3.26     7.77      -2.91      -0.02    -3.28     16
  33       H     0.33     3.87     8.90     -74.06      -0.66     3.21     16
  34       H     0.33     3.84     8.90     -74.05      -0.66     3.18     16
  35       H     0.16    -3.33     7.77      -2.91      -0.02    -3.36     16
  36       H     0.23   -12.63     8.06      -2.90      -0.02   -12.65     16
 Total:          0.00  -183.16   351.97                 -6.88  -190.04