REAL300009850773.mol2 42                                                        
   1       O    -0.68   -19.97    13.96     -20.22      -0.28   -20.25     16
   2       C     0.51    14.51     5.00      36.00       0.18    14.69     16
   3       O    -0.67   -21.52    17.76     -20.23      -0.36   -21.88     16
   4       C    -0.16    -3.57     0.42    -157.24      -0.07    -3.63     16
   5       C     0.56    11.67     3.86     -10.98      -0.04    11.63     16
   6       O    -0.56   -12.07    12.56       5.55       0.07   -12.00     16
   7       N    -0.60   -10.28     2.57    -172.77      -0.44   -10.72     16
   8       C     0.12     1.46     6.44      -3.72      -0.02     1.44     16
   9       C    -0.11    -0.99     5.36     -26.61      -0.14    -1.14     16
  10       C    -0.14    -1.48     1.86     -90.58      -0.17    -1.65     16
  11       C     0.39     3.41     9.01      37.16       0.33     3.74     16
  12       O    -0.70   -12.62    14.55     -57.73      -0.84   -13.46     16
  13       O    -0.75   -14.56    17.78     -57.73      -1.03   -15.58     16
  14       C    -0.13    -2.11     5.06     -26.61      -0.13    -2.24     16
  15       C     0.11     1.97     3.77      -3.71      -0.01     1.95     16
  16       C    -0.11    -2.07     4.10     -26.94      -0.11    -2.18     16
  17       C    -0.08    -1.27     6.15      37.17       0.23    -1.04     16
  18       S    -0.30    -5.16    22.33    -107.50      -2.40    -7.56     16
  19       C    -0.10    -1.82     6.06      37.21       0.23    -1.59     16
  20       C    -0.08    -1.62     4.30     -26.89      -0.12    -1.73     16
  21       H     0.10     1.33     7.00     -51.93      -0.36     0.97     16
  22       H     0.07     0.68     8.14     -51.93      -0.42     0.26     16
  23       H     0.09     0.88     8.14     -51.93      -0.42     0.46     16
  24       H     0.08     0.39     8.14     -51.93      -0.42    -0.03     16
  25       H     0.12     1.19     8.03     -51.93      -0.42     0.77     16
  26       H     0.14     0.51     8.14     -51.93      -0.42     0.08     16
  27       H     0.14     0.94     8.14     -51.93      -0.42     0.51     16
  28       H     0.32     5.39     8.90      45.56       0.41     5.80     16
  29       H     0.32     5.64     8.90      45.56       0.41     6.04     16
  30       H     0.10     1.86     5.86     -51.93      -0.30     1.55     16
  31       H     0.09     1.75     6.91     -51.93      -0.36     1.39     16
  32       H     0.11     2.41     2.97     -51.93      -0.15     2.25     16
  33       H     0.05     0.81     8.11     -51.93      -0.42     0.39     16
  34       H     0.08     1.54     4.81     -51.93      -0.25     1.29     16
  35       H     0.09     1.79     8.06     -51.93      -0.42     1.37     16
  36       H     0.10     1.42     8.14     -51.93      -0.42     1.00     16
  37       H     0.08     1.26     6.63     -51.92      -0.34     0.92     16
  38       H     0.09     1.52     8.14     -51.93      -0.42     1.10     16
  39       H     0.13     2.52     4.79     -52.51      -0.25     2.27     16
  40       H     0.08     1.72     8.06     -51.93      -0.42     1.30     16
  41       H     0.07     1.60     8.09     -51.93      -0.42     1.18     16
 Total:         -1.00   -40.93   317.02                 -6.62   -47.56