REAL300009850774.mol2 44                                                        
   1       O    -0.67   -18.22    13.06     -20.22      -0.26   -18.48     16
   2       C     0.52    13.56     5.00      36.01       0.18    13.74     16
   3       O    -0.67   -20.08    17.76     -20.22      -0.36   -20.44     16
   4       C    -0.17    -3.59     0.42    -157.23      -0.07    -3.65     16
   5       C     0.56    10.55     3.95     -10.99      -0.04    10.51     16
   6       O    -0.56   -10.79    12.36       5.56       0.07   -10.72     16
   7       N    -0.59    -9.42     2.73    -172.76      -0.47    -9.89     16
   8       C     0.12     1.33     6.42      -3.71      -0.02     1.31     16
   9       C    -0.11    -0.93     5.36     -26.61      -0.14    -1.07     16
  10       C    -0.14    -1.42     1.86     -90.58      -0.17    -1.59     16
  11       C     0.39     3.32     9.01      37.16       0.33     3.65     16
  12       O    -0.70   -12.46    14.55     -57.73      -0.84   -13.30     16
  13       O    -0.75   -14.41    17.78     -57.73      -1.03   -15.44     16
  14       C    -0.14    -2.08     4.97     -26.61      -0.13    -2.21     16
  15       C     0.11     1.81     4.02      -3.71      -0.01     1.79     16
  16       C    -0.06    -1.22     4.30     -26.93      -0.12    -1.34     16
  17       C    -0.62   -10.12     5.98      37.18       0.22    -9.90     16
  18       S     2.41    38.69     5.30    -107.50      -0.57    38.12     16
  19       O    -0.94   -17.60    17.94     -57.82      -1.04   -18.63     16
  20       O    -0.96   -17.27    18.11     -57.82      -1.05   -18.31     16
  21       C    -0.61    -8.78     6.07      37.18       0.23    -8.55     16
  22       C    -0.10    -1.70     4.14     -26.92      -0.11    -1.81     16
  23       H     0.07     0.64     8.14     -51.93      -0.42     0.21     16
  24       H     0.10     1.24     7.02     -51.93      -0.36     0.87     16
  25       H     0.08     0.35     8.14     -51.93      -0.42    -0.08     16
  26       H     0.09     0.85     8.14     -51.93      -0.42     0.43     16
  27       H     0.12     1.13     8.03     -51.93      -0.42     0.71     16
  28       H     0.14     0.92     8.14     -51.92      -0.42     0.49     16
  29       H     0.13     0.48     8.14     -51.93      -0.42     0.05     16
  30       H     0.32     5.32     8.90      45.56       0.41     5.72     16
  31       H     0.32     5.58     8.90      45.56       0.41     5.99     16
  32       H     0.10     1.90     6.19     -51.93      -0.32     1.58     16
  33       H     0.10     1.78     5.85     -51.93      -0.30     1.47     16
  34       H     0.06     0.77     8.14     -51.93      -0.42     0.35     16
  35       H     0.11     2.18     2.86     -51.93      -0.15     2.04     16
  36       H     0.08     1.72     8.09     -51.92      -0.42     1.30     16
  37       H     0.09     1.74     8.01     -51.93      -0.42     1.32     16
  38       H     0.13     1.73     8.14     -51.93      -0.42     1.31     16
  39       H     0.18     3.01     4.60     -53.84      -0.25     2.76     16
  40       H     0.13     1.54     8.14     -51.93      -0.42     1.12     16
  41       H     0.12     1.69     6.82     -51.93      -0.35     1.34     16
  42       H     0.10     1.81     8.01     -51.93      -0.42     1.39     16
  43       H     0.10     1.62     4.86     -51.93      -0.25     1.37     16
 Total:         -1.00   -42.83   334.41                 -6.60   -49.43