REAL300018422149.mol2 36                                                        
   1       O    -0.65   -15.75    17.77     -20.69      -0.37   -16.12     16
   2       C     0.54    11.17     8.02      33.91       0.27    11.44     16
   3       O    -0.67   -15.69    17.87     -20.70      -0.37   -16.06     16
   4       C    -0.21    -2.48     6.51     -36.87      -0.24    -2.72     16
   5       C     0.04     0.31    11.17     -18.45      -0.21     0.10     16
   6       N    -0.45    -1.42    10.50     -11.22      -0.12    -1.54     16
   7       C    -0.06     0.12     6.63     -13.28      -0.09     0.03     16
   8       C    -0.05     0.61     6.02     -27.88      -0.17     0.44     16
   9       C    -0.01     0.14     5.35      -3.82      -0.02     0.12     16
  10       N    -0.51    12.59     1.74    -115.06      -0.20    12.39     16
  11       H     0.43   -11.69     8.66     -39.29      -0.34   -12.03     16
  12       H     0.43   -11.15     8.67     -39.29      -0.34   -11.50     16
  13       C     0.05    -1.12     5.50      -4.97      -0.03    -1.15     16
  14       C    -0.13     2.43     5.35    -104.67      -0.56     1.87     16
  15       C    -0.08     1.58     9.70     -39.48      -0.38     1.19     16
  16       C    -0.07     1.10    10.03     -39.63      -0.40     0.70     16
  17       C    -0.08     0.90     9.75     -39.25      -0.38     0.52     16
  18       C     0.30    -2.75     9.80     -38.73      -0.38    -3.13     16
  19       O    -0.65     0.05    17.25     -57.73      -1.00    -0.94     16
  20       O    -0.63    -0.40    17.25     -57.73      -1.00    -1.40     16
  21       C    -0.09     1.28     9.40     -39.25      -0.37     0.91     16
  22       S     0.18     0.65    23.00    -107.50      -2.47    -1.82     16
  23       H     0.19     1.72     8.06     -52.48      -0.42     1.29     16
  24       H     0.11    -1.46     8.14     -51.93      -0.42    -1.88     16
  25       H     0.10    -1.53     8.14     -51.93      -0.42    -1.95     16
  26       H     0.14    -2.66     8.14     -51.93      -0.42    -3.09     16
  27       H     0.14    -2.53     8.14     -51.93      -0.42    -2.95     16
  28       H     0.15    -3.47     8.08     -51.93      -0.42    -3.89     16
  29       H     0.15    -3.82     8.08     -51.93      -0.42    -4.24     16
  30       H     0.16    -3.54     8.06     -52.49      -0.42    -3.96     16
  31       H     0.18    -2.97     8.06     -52.48      -0.42    -3.40     16
  32       H     0.18    -1.81     7.77     -52.49      -0.41    -2.22     16
  33       H     0.35    -0.57     8.90      45.56       0.41    -0.17     16
  34       H     0.35    -0.49     8.90      45.56       0.41    -0.08     16
  35       H     0.18    -2.55     7.77     -52.49      -0.41    -2.95     16
 Total:          0.00   -55.20   332.17                 -7.95   -63.15