REAL300009850742.mol2 41                                                        
   1       O    -0.67   -20.02    15.60     -20.23      -0.32   -20.34     16
   2       C     0.52    14.13     5.70      36.01       0.21    14.34     16
   3       O    -0.67   -20.46    17.76     -20.22      -0.36   -20.82     16
   4       C    -0.17    -3.40     0.42    -157.24      -0.07    -3.47     16
   5       C     0.57    10.85     3.92     -10.98      -0.04    10.81     16
   6       O    -0.55   -10.76    13.60       5.55       0.08   -10.68     16
   7       N    -0.60    -9.12     2.75    -170.53      -0.47    -9.59     16
   8       C     0.08     1.13     4.82      -3.07      -0.01     1.12     16
   9       C    -0.12    -1.23     5.66     -24.90      -0.14    -1.37     16
  10       C    -0.17    -1.53     3.05     -88.48      -0.27    -1.80     16
  11       C     0.39     2.50     9.02      37.16       0.34     2.84     16
  12       O    -0.75   -13.07    17.78     -57.73      -1.03   -14.10     16
  13       O    -0.69   -11.36    15.26     -57.73      -0.88   -12.24     16
  14       C     0.14     1.37     6.36      -2.53      -0.02     1.35     16
  15       C    -0.07    -1.25     4.23     -26.96      -0.11    -1.37     16
  16       C    -0.61    -9.57     5.98      37.14       0.22    -9.35     16
  17       S     2.41    36.27     5.30    -107.50      -0.57    35.70     16
  18       O    -0.94   -16.67    17.94     -57.82      -1.04   -17.71     16
  19       O    -0.96   -16.20    18.10     -57.82      -1.05   -17.25     16
  20       C    -0.61    -8.02     5.55      37.18       0.21    -7.81     16
  21       C    -0.10    -1.68     3.85     -26.92      -0.10    -1.78     16
  22       H     0.08     0.98     5.31     -51.93      -0.28     0.70     16
  23       H     0.10     1.77     6.28     -51.93      -0.33     1.45     16
  24       H     0.08     0.61     7.91     -51.93      -0.41     0.20     16
  25       H     0.11     1.39     6.96     -51.93      -0.36     1.03     16
  26       H     0.14     1.60     8.14     -51.93      -0.42     1.18     16
  27       H     0.14     0.40     8.14     -51.93      -0.42    -0.02     16
  28       H     0.14     0.29     7.97     -51.93      -0.41    -0.12     16
  29       H     0.32     5.10     8.90      45.56       0.41     5.51     16
  30       H     0.33     4.91     8.90      45.56       0.41     5.31     16
  31       H     0.10     1.03     8.09     -51.93      -0.42     0.61     16
  32       H     0.08     0.47     8.04     -51.93      -0.42     0.05     16
  33       H     0.09     1.78     8.09     -51.93      -0.42     1.36     16
  34       H     0.09     1.76     8.01     -51.92      -0.42     1.34     16
  35       H     0.13     1.69     8.14     -51.93      -0.42     1.27     16
  36       H     0.17     2.65     4.91     -51.97      -0.26     2.39     16
  37       H     0.14     1.35     8.14     -51.93      -0.42     0.93     16
  38       H     0.12     1.48     6.54     -51.93      -0.34     1.14     16
  39       H     0.10     1.75     8.01     -51.93      -0.42     1.33     16
  40       H     0.10     1.56     4.44     -51.93      -0.23     1.33     16
 Total:         -1.00   -45.51   323.60                 -6.14   -51.65