REAL300009850727.mol2 42                                                        
   1       O    -0.67   -20.49    16.77     -20.23      -0.34   -20.83     16
   2       C     0.51    13.57     4.96      36.01       0.18    13.75     16
   3       O    -0.67   -19.06    15.75     -20.23      -0.32   -19.38     16
   4       C    -0.16    -3.32     0.43    -157.24      -0.07    -3.39     16
   5       C     0.55    10.41     4.17     -10.99      -0.05    10.36     16
   6       O    -0.53   -10.69    12.42       5.55       0.07   -10.62     16
   7       N    -0.62    -9.07     2.09    -172.52      -0.36    -9.43     16
   8       C     0.06     0.84     4.14      -2.93      -0.01     0.83     16
   9       C    -0.11    -1.26     5.71     -27.29      -0.16    -1.42     16
  10       C    -0.18    -2.81     5.14     -28.01      -0.14    -2.95     16
  11       C     0.41     5.84     5.34     -29.78      -0.16     5.68     16
  12       O    -0.75   -16.99    16.55     -57.73      -0.96   -17.94     16
  13       O    -0.73   -16.91    16.25     -57.73      -0.94   -17.85     16
  14       C    -0.21    -2.87     4.85     -28.59      -0.14    -3.01     16
  15       C     0.15     1.66     5.40      -4.09      -0.02     1.64     16
  16       C    -0.08    -1.63     4.41     -26.90      -0.12    -1.75     16
  17       C    -0.10    -1.76     6.07      37.21       0.23    -1.53     16
  18       S    -0.30    -4.79    22.33    -107.50      -2.40    -7.19     16
  19       C    -0.08    -1.18     6.15      37.21       0.23    -0.95     16
  20       C    -0.11    -1.84     3.53     -26.90      -0.10    -1.93     16
  21       H     0.07     0.74     7.84     -51.93      -0.41     0.33     16
  22       H     0.15     2.60     2.21     -51.93      -0.11     2.49     16
  23       H     0.11     1.20     8.14     -51.93      -0.42     0.78     16
  24       H     0.07     0.50     7.32     -51.93      -0.38     0.12     16
  25       H     0.12     2.57     6.58     -51.93      -0.34     2.23     16
  26       H     0.13     2.30     6.83     -51.93      -0.35     1.95     16
  27       H     0.13     1.17     7.35     -51.93      -0.38     0.79     16
  28       H     0.32     6.60     8.90      45.56       0.41     7.01     16
  29       H     0.32     6.66     8.90      45.56       0.41     7.07     16
  30       H     0.12     1.63     7.60     -51.93      -0.39     1.24     16
  31       H     0.12     2.15     8.14     -51.93      -0.42     1.73     16
  32       H     0.09     0.59     8.06     -51.93      -0.42     0.17     16
  33       H     0.12     1.38     7.27     -51.93      -0.38     1.00     16
  34       H     0.08     1.82     7.96     -51.93      -0.41     1.41     16
  35       H     0.07     1.46     8.06     -51.93      -0.42     1.04     16
  36       H     0.09     1.47     8.14     -51.93      -0.42     1.05     16
  37       H     0.13     2.46     4.67     -53.36      -0.25     2.21     16
  38       H     0.10     1.23     8.14     -51.93      -0.42     0.81     16
  39       H     0.07     1.05     6.73     -51.93      -0.35     0.70     16
  40       H     0.09     1.59     8.06     -51.93      -0.42     1.17     16
  41       H     0.09     1.50     4.35     -51.93      -0.23     1.27     16
 Total:         -1.00   -39.65   313.75                 -6.97   -46.62