REAL300018422148.mol2 36                                                        
   1       O    -0.65   -15.59    17.77     -20.70      -0.37   -15.96     16
   2       C     0.54    11.03     8.02      33.91       0.27    11.30     16
   3       O    -0.67   -15.56    17.87     -20.69      -0.37   -15.93     16
   4       C    -0.21    -2.42     6.51     -36.87      -0.24    -2.66     16
   5       C     0.04     0.29    11.17     -18.45      -0.21     0.09     16
   6       N    -0.45    -1.16    10.50     -11.22      -0.12    -1.28     16
   7       C    -0.06     0.15     6.63     -13.28      -0.09     0.07     16
   8       C    -0.05     0.64     6.02     -27.88      -0.17     0.47     16
   9       C    -0.01     0.15     5.35      -3.82      -0.02     0.13     16
  10       N    -0.51    13.04     1.74    -115.05      -0.20    12.84     16
  11       H     0.43   -11.78     8.67     -39.29      -0.34   -12.12     16
  12       H     0.43   -11.87     8.66     -39.29      -0.34   -12.21     16
  13       C     0.05    -1.14     5.50      -4.97      -0.03    -1.17     16
  14       C    -0.16     3.23     5.36    -104.52      -0.56     2.67     16
  15       C    -0.05     0.91     9.68     -39.63      -0.38     0.52     16
  16       C    -0.11     1.31     9.75     -39.25      -0.38     0.92     16
  17       C     0.32    -2.79     9.79     -38.73      -0.38    -3.17     16
  18       O    -0.64    -0.60    17.25     -57.73      -1.00    -1.59     16
  19       O    -0.64    -0.59    17.25     -57.73      -1.00    -1.58     16
  20       C    -0.11     1.30     9.75     -39.25      -0.38     0.92     16
  21       C    -0.05     0.91     9.68     -39.63      -0.38     0.52     16
  22       S     0.18     0.61    23.00    -107.50      -2.47    -1.86     16
  23       H     0.19     1.63     8.06     -52.49      -0.42     1.21     16
  24       H     0.11    -1.54     8.14     -51.93      -0.42    -1.96     16
  25       H     0.10    -1.56     8.14     -51.93      -0.42    -1.99     16
  26       H     0.14    -2.70     8.14     -51.93      -0.42    -3.12     16
  27       H     0.14    -2.66     8.14     -51.93      -0.42    -3.08     16
  28       H     0.15    -3.73     8.08     -51.93      -0.42    -4.15     16
  29       H     0.15    -3.70     8.08     -51.93      -0.42    -4.12     16
  30       H     0.17    -3.55     8.06     -52.48      -0.42    -3.98     16
  31       H     0.18    -1.94     7.77     -52.49      -0.41    -2.35     16
  32       H     0.35    -0.38     8.90      45.56       0.41     0.03     16
  33       H     0.35    -0.38     8.90      45.56       0.41     0.03     16
  34       H     0.18    -1.93     7.77     -52.49      -0.41    -2.34     16
  35       H     0.17    -3.52     8.06     -52.49      -0.42    -3.95     16
 Total:          0.00   -55.88   332.17                 -7.95   -63.83