REAL300031639209.mol2 36                                                        
   1       O    -0.50   -11.71    15.72     -13.01      -0.20   -11.91     16
   2       C     0.60    12.10     7.81     -12.48      -0.10    12.00     16
   3       N    -0.72   -10.10     5.55     -61.35      -0.34   -10.44     16
   4       C     0.11     1.13     5.79      -4.04      -0.02     1.10     16
   5       C     0.11     0.90     5.79      -4.04      -0.02     0.88     16
   6       N    -0.72    -4.94     5.51     -61.25      -0.34    -5.28     16
   7       C     0.57     5.27     7.77     -12.33      -0.10     5.17     16
   8       O    -0.52    -6.89    16.35       5.32       0.09    -6.81     16
   9       C    -0.10    -0.80     5.87    -104.97      -0.62    -1.42     16
  10       C    -0.07    -0.34     9.54     -39.09      -0.37    -0.71     16
  11       C    -0.11    -0.52    10.02     -39.68      -0.40    -0.92     16
  12       C    -0.06    -0.50     6.31    -104.21      -0.66    -1.16     16
  13       C     0.24     2.84    10.26     -38.85      -0.40     2.44     16
  14       C    -0.07    -0.69     9.64     -38.92      -0.38    -1.07     16
  15       O    -0.61   -11.35    18.54     -56.57      -1.05   -12.40     16
  16       O    -0.48    -8.26    15.05     -56.57      -0.85    -9.11     16
  17       C     0.09     1.02     7.74      35.94       0.28     1.30     16
  18       C    -0.03    -0.60     6.69     -83.92      -0.56    -1.16     16
  19       N    -0.51    -9.45    10.83      24.03       0.26    -9.19     16
  20       S     0.48     8.51    24.20    -107.50      -2.60     5.91     16
  21       N    -0.58   -13.94    12.18      28.50       0.35   -13.60     16
  22       C     0.37     9.91     8.19     -17.49      -0.14     9.77     16
  23       O    -0.59   -18.64    17.64     -37.39      -0.66   -19.30     16
  24       H     0.41     5.04     7.96     -40.82      -0.32     4.72     16
  25       H     0.08     0.76     8.14     -51.93      -0.42     0.34     16
  26       H     0.08     0.76     8.14     -51.93      -0.42     0.33     16
  27       H     0.08     0.71     8.14     -51.93      -0.42     0.29     16
  28       H     0.08     0.71     8.14     -51.93      -0.42     0.29     16
  29       H     0.40     1.57     6.50     -40.82      -0.27     1.31     16
  30       H     0.15     0.18     6.39     -52.49      -0.34    -0.15     16
  31       H     0.17     0.26     8.06     -52.49      -0.42    -0.16     16
  32       H     0.17     1.86     7.65     -52.49      -0.40     1.46     16
  33       H     0.34     5.27     9.30      45.56       0.42     5.70     16
  34       H     0.06     0.59     8.14     -51.93      -0.42     0.17     16
  35       H     0.07     0.59     8.14     -51.93      -0.42     0.17     16
 Total:         -1.00   -38.73   337.70                 -7.61   -46.34