REAL300009850812.mol2 51                                                        
   1       O    -0.67   -18.35    13.62     -20.23      -0.28   -18.63     16
   2       C     0.52    13.40     4.99      36.01       0.18    13.58     16
   3       O    -0.67   -19.80    17.76     -20.23      -0.36   -20.16     16
   4       C    -0.17    -3.52     0.42    -157.23      -0.07    -3.59     16
   5       C     0.56    10.56     3.86     -10.98      -0.04    10.52     16
   6       O    -0.55   -11.19    12.57       5.55       0.07   -11.12     16
   7       N    -0.59    -9.14     2.62    -172.68      -0.45    -9.59     16
   8       C     0.11     1.29     6.29      -3.66      -0.02     1.27     16
   9       C    -0.11    -1.11     5.20     -26.69      -0.14    -1.25     16
  10       C    -0.07    -0.59     0.75    -154.34      -0.12    -0.71     16
  11       C    -0.11    -0.47     6.42     -26.08      -0.17    -0.63     16
  12       C    -0.18    -0.82     2.50     -89.74      -0.22    -1.04     16
  13       C     0.32     1.47     9.53      37.16       0.35     1.83     16
  14       O    -0.70   -11.84    17.75     -57.73      -1.02   -12.87     16
  15       O    -0.65   -10.83    17.78     -57.73      -1.03   -11.86     16
  16       C    -0.13    -0.89     6.63     -26.09      -0.17    -1.06     16
  17       C    -0.12    -1.44     5.07     -26.69      -0.14    -1.58     16
  18       C     0.11     1.55     3.69      -3.67      -0.01     1.53     16
  19       C    -0.09    -1.57     4.10     -26.92      -0.11    -1.68     16
  20       C    -0.61    -8.18     6.07      37.18       0.23    -7.96     16
  21       S     2.41    37.37     5.31    -107.50      -0.57    36.80     16
  22       O    -0.94   -17.06    17.94     -57.82      -1.04   -18.09     16
  23       O    -0.96   -16.76    18.11     -57.82      -1.05   -17.81     16
  24       C    -0.62    -9.92     5.98      37.17       0.22    -9.70     16
  25       C    -0.06    -1.23     4.26     -26.92      -0.11    -1.34     16
  26       H     0.09     1.24     6.98     -51.93      -0.36     0.88     16
  27       H     0.06     0.55     7.42     -51.93      -0.39     0.17     16
  28       H     0.08     1.04     8.14     -51.93      -0.42     0.62     16
  29       H     0.07     0.54     7.31     -51.93      -0.38     0.16     16
  30       H     0.09     0.35     7.32     -51.93      -0.38    -0.03     16
  31       H     0.10     0.26     8.04     -51.93      -0.42    -0.16     16
  32       H     0.14     0.67     6.35     -51.93      -0.33     0.34     16
  33       H     0.13     0.15     8.14     -51.93      -0.42    -0.27     16
  34       H     0.14     0.27     7.84     -51.93      -0.41    -0.14     16
  35       H     0.31     3.89     6.29      45.56       0.29     4.18     16
  36       H     0.34     5.34     9.20      45.56       0.42     5.76     16
  37       H     0.09     0.60     7.85     -51.93      -0.41     0.19     16
  38       H     0.09     0.73     8.09     -51.93      -0.42     0.31     16
  39       H     0.07     0.68     8.12     -51.93      -0.42     0.26     16
  40       H     0.10     1.79     6.60     -51.93      -0.34     1.45     16
  41       H     0.11     1.96     2.92     -51.93      -0.15     1.81     16
  42       H     0.05     0.54     8.05     -51.93      -0.42     0.12     16
  43       H     0.10     1.45     4.82     -51.93      -0.25     1.20     16
  44       H     0.10     1.68     8.01     -51.93      -0.42     1.27     16
  45       H     0.13     1.37     8.14     -51.93      -0.42     0.95     16
  46       H     0.12     1.58     6.67     -51.92      -0.35     1.24     16
  47       H     0.13     1.74     8.14     -51.92      -0.42     1.31     16
  48       H     0.17     2.87     4.80     -52.37      -0.25     2.62     16
  49       H     0.09     1.71     8.01     -51.93      -0.42     1.29     16
  50       H     0.09     1.76     8.09     -51.93      -0.42     1.34     16
 Total:         -1.00   -44.28   380.58                 -8.24   -52.52