REAL300009850728.mol2 44                                                        
   1       O    -0.67   -17.10    13.30     -20.22      -0.27   -17.37     16
   2       C     0.52    12.45     4.73      36.01       0.17    12.63     16
   3       O    -0.66   -18.42    17.73     -20.23      -0.36   -18.78     16
   4       C    -0.17    -3.19     0.43    -157.23      -0.07    -3.26     16
   5       C     0.55     9.19     3.72     -10.98      -0.04     9.15     16
   6       O    -0.53    -9.56    12.82       5.56       0.07    -9.49     16
   7       N    -0.61    -7.76     1.83    -172.50      -0.31    -8.08     16
   8       C     0.09     1.02     3.69      -2.94      -0.01     1.01     16
   9       C    -0.11    -1.08     5.71     -27.30      -0.16    -1.24     16
  10       C    -0.19    -2.49     3.85     -28.01      -0.11    -2.60     16
  11       C     0.35     4.45     4.82     -29.78      -0.14     4.31     16
  12       O    -0.69   -15.24    17.78     -57.73      -1.03   -16.27     16
  13       O    -0.71   -16.86    17.50     -57.73      -1.01   -17.87     16
  14       C    -0.20    -2.46     5.74     -28.56      -0.16    -2.62     16
  15       C     0.15     1.40     5.33      -4.06      -0.02     1.38     16
  16       C    -0.10    -1.47     3.91     -26.96      -0.11    -1.57     16
  17       C    -0.61    -7.10     6.07      37.14       0.23    -6.88     16
  18       S     2.41    33.90     5.31    -107.50      -0.57    33.33     16
  19       O    -0.94   -15.85    17.94     -57.81      -1.04   -16.89     16
  20       O    -0.95   -15.52    18.10     -57.81      -1.05   -16.56     16
  21       C    -0.61    -8.93     5.98      37.17       0.22    -8.71     16
  22       C    -0.07    -1.16     4.30     -26.93      -0.12    -1.28     16
  23       H     0.07     0.59     7.52     -51.93      -0.39     0.19     16
  24       H     0.12     1.91     3.08     -51.93      -0.16     1.75     16
  25       H     0.07     0.41     7.32     -51.93      -0.38     0.03     16
  26       H     0.11     0.93     8.14     -51.93      -0.42     0.51     16
  27       H     0.12     1.55     7.77     -51.93      -0.40     1.15     16
  28       H     0.15     2.61     4.66     -51.93      -0.24     2.37     16
  29       H     0.13     1.12     7.35     -51.93      -0.38     0.74     16
  30       H     0.33     6.96     9.20      45.56       0.42     7.38     16
  31       H     0.31     6.71     7.46      45.56       0.34     7.05     16
  32       H     0.12     1.82     8.14     -51.93      -0.42     1.39     16
  33       H     0.12     1.28     8.14     -51.93      -0.42     0.85     16
  34       H     0.09     0.49     8.06     -51.93      -0.42     0.07     16
  35       H     0.12     1.10     7.41     -51.93      -0.38     0.71     16
  36       H     0.10     1.28     4.34     -51.93      -0.23     1.05     16
  37       H     0.10     1.58     8.01     -51.93      -0.42     1.16     16
  38       H     0.14     1.17     8.14     -51.93      -0.42     0.75     16
  39       H     0.12     1.28     6.57     -51.93      -0.34     0.94     16
  40       H     0.13     1.61     8.14     -51.93      -0.42     1.18     16
  41       H     0.16     2.46     4.92     -51.96      -0.26     2.20     16
  42       H     0.09     1.61     8.01     -51.93      -0.42     1.19     16
  43       H     0.09     1.69     8.09     -51.93      -0.42     1.27     16
 Total:         -1.00   -41.64   331.07                 -7.08   -48.71