REAL300009850833.mol2 41                                                        
   1       O    -0.68   -16.42    13.06     -20.22      -0.26   -16.69     16
   2       C     0.52    12.18     5.00      36.01       0.18    12.36     16
   3       O    -0.66   -18.02    17.76     -20.23      -0.36   -18.38     16
   4       C    -0.17    -3.15     0.42    -157.23      -0.07    -3.22     16
   5       C     0.56     9.81     3.95     -10.99      -0.04     9.76     16
   6       O    -0.53   -10.00    12.36       5.55       0.07    -9.93     16
   7       N    -0.58    -8.49     2.73    -172.76      -0.47    -8.96     16
   8       C     0.09     1.12     4.02      -3.71      -0.01     1.10     16
   9       C    -0.12    -1.30     5.84     -26.61      -0.16    -1.45     16
  10       C    -0.17    -1.61     5.69     -26.69      -0.15    -1.77     16
  11       C     0.32     4.15     5.74     -26.61      -0.15     3.99     16
  12       O    -0.73   -15.02    17.73     -57.73      -1.02   -16.04     16
  13       O    -0.64   -12.81    16.73     -57.73      -0.97   -13.77     16
  14       C     0.08     1.04     5.24      -3.71      -0.02     1.02     16
  15       C    -0.06    -1.15     4.30     -26.96      -0.12    -1.27     16
  16       C    -0.62    -9.47     5.98      37.14       0.22    -9.25     16
  17       S     2.41    35.95     5.30    -107.50      -0.57    35.38     16
  18       O    -0.94   -16.32    17.94     -57.82      -1.04   -17.35     16
  19       O    -0.95   -16.56    18.11     -57.82      -1.05   -17.60     16
  20       C    -0.61    -7.79     6.07      37.17       0.23    -7.57     16
  21       C    -0.10    -1.46     4.14     -26.92      -0.11    -1.57     16
  22       H     0.13     1.93     2.86     -51.93      -0.15     1.78     16
  23       H     0.07     0.66     8.14     -51.93      -0.42     0.23     16
  24       H     0.12     1.68     6.19     -51.93      -0.32     1.36     16
  25       H     0.11     0.89     8.14     -51.93      -0.42     0.47     16
  26       H     0.11     0.91     7.58     -51.93      -0.39     0.51     16
  27       H     0.10     0.88     8.14     -51.93      -0.42     0.45     16
  28       H     0.15     1.77     8.14     -51.93      -0.42     1.35     16
  29       H     0.30     4.90     8.40      45.56       0.38     5.28     16
  30       H     0.34     6.30     9.20      45.56       0.42     6.72     16
  31       H     0.10     1.30     8.03     -51.93      -0.42     0.88     16
  32       H     0.13     1.92     7.01     -51.93      -0.36     1.56     16
  33       H     0.09     1.63     8.09     -51.93      -0.42     1.21     16
  34       H     0.09     1.65     8.01     -51.93      -0.42     1.23     16
  35       H     0.13     1.66     8.14     -51.93      -0.42     1.23     16
  36       H     0.18     2.83     4.61     -53.82      -0.25     2.58     16
  37       H     0.14     1.32     8.14     -51.93      -0.42     0.90     16
  38       H     0.12     1.52     6.82     -51.92      -0.35     1.16     16
  39       H     0.10     1.62     8.01     -51.93      -0.42     1.20     16
  40       H     0.10     1.29     4.86     -51.93      -0.25     1.03     16
 Total:         -1.00   -38.68   316.64                 -6.59   -45.27