REAL300018650572.mol2 37                                                        
   1       O    -0.72   -43.09    17.54      16.91       0.30   -42.79     16
   2       C     0.52    27.34     7.84      68.62       0.54    27.88     16
   3       O    -0.72   -41.92    17.70      16.94       0.30   -41.62     16
   4       C    -0.26    -9.04     6.18      22.46       0.14    -8.90     16
   5       C    -0.07    -1.79     9.84      22.00       0.22    -1.57     16
   6       C    -0.19    -1.81     6.91      22.47       0.16    -1.66     16
   7       C    -0.18    -0.56     6.96      22.76       0.16    -0.40     16
   8       C    -0.03     0.55    10.01      21.85       0.22     0.77     16
   9       C    -0.21     4.94     5.89      24.64       0.15     5.09     16
  10       C     0.10    -4.08     5.83      85.56       0.50    -3.58     16
  11       N    -0.50    22.41     1.58    -521.96      -0.83    21.58     16
  12       H     0.44   -23.33     8.66     -89.69      -0.78   -24.11     16
  13       H     0.43   -15.95     7.03     -89.69      -0.63   -16.59     16
  14       C     0.05    -2.29     4.64      85.56       0.40    -1.89     16
  15       C    -0.12     4.66     5.38     -19.65      -0.11     4.56     16
  16       C    -0.02     0.97     9.66      22.24       0.21     1.18     16
  17       C    -0.09     3.65    10.04      22.33       0.22     3.87     16
  18       C    -0.04     1.35    10.03      22.24       0.22     1.57     16
  19       C    -0.14     3.28     9.75      22.48       0.22     3.50     16
  20       C     0.32    -8.10     9.76      22.82       0.22    -7.88     16
  21       O    -0.71    12.04    12.35    -127.47      -1.57    10.47     16
  22       O    -0.76    -2.52    17.25    -127.47      -2.20    -4.72     16
  23       S     0.18    -1.24    23.31     -56.49      -1.32    -2.55     16
  24       S     0.22     3.97    22.99     -56.49      -1.30     2.67     16
  25       H     0.12     3.56     7.93      -2.91      -0.02     3.54     16
  26       H     0.21    -5.92     8.06      -2.91      -0.02    -5.94     16
  27       H     0.15    -5.69     8.14      -2.39      -0.02    -5.71     16
  28       H     0.21   -10.62     8.14      -2.39      -0.02   -10.64     16
  29       H     0.15    -5.62     5.78      -2.38      -0.01    -5.64     16
  30       H     0.21   -12.32     8.00      -2.39      -0.02   -12.34     16
  31       H     0.24   -13.24     8.03      -2.91      -0.02   -13.27     16
  32       H     0.20    -8.68     8.06      -2.91      -0.02    -8.70     16
  33       H     0.19    -6.45     8.06      -2.91      -0.02    -6.47     16
  34       H     0.16    -2.69     7.77      -2.91      -0.02    -2.72     16
  35       H     0.35    -4.62     8.90     -74.06      -0.66    -5.27     16
  36       H     0.33     0.59     8.90     -74.06      -0.66    -0.07     16
 Total:          0.00  -142.27   342.92                 -6.09  -148.36