REAL300009850757.mol2 44                                                        
   1       O    -0.67   -18.80    13.94     -20.22      -0.28   -19.08     16
   2       C     0.52    13.50     5.00      36.00       0.18    13.68     16
   3       O    -0.67   -19.84    17.76     -20.22      -0.36   -20.20     16
   4       C    -0.17    -3.43     0.42    -157.23      -0.07    -3.49     16
   5       C     0.56    10.25     3.85     -10.99      -0.04    10.21     16
   6       O    -0.55   -10.37    12.61       5.56       0.07   -10.29     16
   7       N    -0.59    -8.81     2.62    -172.77      -0.45    -9.26     16
   8       C     0.10     1.53     3.77      -3.71      -0.01     1.51     16
   9       C    -0.13    -1.95     5.92     -26.61      -0.16    -2.11     16
  10       C    -0.12    -1.40     5.02     -26.69      -0.13    -1.53     16
  11       C    -0.16    -1.71     2.04     -90.50      -0.19    -1.90     16
  12       C     0.39     2.95     9.01      37.16       0.33     3.28     16
  13       O    -0.69   -12.27    14.57     -57.73      -0.84   -13.11     16
  14       O    -0.75   -13.80    17.78     -57.73      -1.03   -14.83     16
  15       C     0.13     1.32     5.73      -3.71      -0.02     1.30     16
  16       C    -0.10    -1.58     4.08     -26.96      -0.11    -1.70     16
  17       C    -0.61    -7.83     6.07      37.14       0.23    -7.61     16
  18       S     2.41    35.86     5.30    -107.50      -0.57    35.29     16
  19       O    -0.94   -16.57    17.94     -57.82      -1.04   -17.61     16
  20       O    -0.96   -16.10    18.11     -57.82      -1.05   -17.14     16
  21       C    -0.62    -9.48     5.98      37.18       0.22    -9.26     16
  22       C    -0.06    -1.21     4.25     -26.92      -0.11    -1.32     16
  23       H     0.11     2.10     2.98     -51.93      -0.15     1.95     16
  24       H     0.06     0.65     8.11     -51.93      -0.42     0.23     16
  25       H     0.10     1.88     6.90     -51.93      -0.36     1.52     16
  26       H     0.07     0.99     8.14     -51.93      -0.42     0.56     16
  27       H     0.06     0.52     8.14     -51.93      -0.42     0.10     16
  28       H     0.10     1.43     5.88     -51.93      -0.31     1.12     16
  29       H     0.13     1.86     8.03     -51.93      -0.42     1.44     16
  30       H     0.14     0.55     8.14     -51.93      -0.42     0.13     16
  31       H     0.14     0.45     8.14     -51.93      -0.42     0.03     16
  32       H     0.33     5.28     8.90      45.56       0.41     5.68     16
  33       H     0.32     5.34     8.90      45.56       0.41     5.74     16
  34       H     0.11     1.04     7.00     -51.93      -0.36     0.68     16
  35       H     0.08     0.47     8.14     -51.93      -0.42     0.05     16
  36       H     0.10     1.48     4.79     -51.93      -0.25     1.23     16
  37       H     0.10     1.70     8.01     -51.93      -0.42     1.28     16
  38       H     0.14     1.33     8.14     -51.93      -0.42     0.90     16
  39       H     0.12     1.44     6.65     -51.93      -0.35     1.10     16
  40       H     0.13     1.67     8.14     -51.93      -0.42     1.25     16
  41       H     0.17     2.65     4.83     -52.25      -0.25     2.40     16
  42       H     0.09     1.72     8.01     -51.93      -0.42     1.30     16
  43       H     0.09     1.74     8.10     -51.93      -0.42     1.32     16
 Total:         -1.00   -43.44   335.88                 -6.63   -50.08