REAL300009850756.mol2 42                                                        
   1       O    -0.67   -19.74    13.14     -20.23      -0.27   -20.01     16
   2       C     0.51    14.41     5.00      36.01       0.18    14.59     16
   3       O    -0.68   -21.31    17.76     -20.23      -0.36   -21.67     16
   4       C    -0.16    -3.62     0.42    -157.24      -0.07    -3.69     16
   5       C     0.56    12.37     3.93     -10.99      -0.04    12.33     16
   6       O    -0.55   -13.15    12.32       5.55       0.07   -13.08     16
   7       N    -0.59   -10.80     2.70    -172.78      -0.47   -11.27     16
   8       C     0.11     1.71     4.01      -3.72      -0.01     1.69     16
   9       C    -0.13    -1.79     5.85     -26.61      -0.16    -1.94     16
  10       C    -0.09    -0.79     5.17     -26.69      -0.14    -0.93     16
  11       C    -0.16    -1.91     2.10     -90.50      -0.19    -2.10     16
  12       C     0.38     3.31     8.85      37.15       0.33     3.64     16
  13       O    -0.76   -14.91    17.78     -57.73      -1.03   -15.94     16
  14       O    -0.68   -14.06    16.18     -57.73      -0.93   -15.00     16
  15       C     0.12     1.78     5.70      -3.71      -0.02     1.75     16
  16       C    -0.08    -1.68     4.34     -26.90      -0.12    -1.80     16
  17       C    -0.10    -2.08     6.06      37.21       0.23    -1.85     16
  18       S    -0.30    -5.40    22.33    -107.50      -2.40    -7.80     16
  19       C    -0.08    -1.31     6.15      37.21       0.23    -1.08     16
  20       C    -0.10    -2.01     4.16     -26.90      -0.11    -2.12     16
  21       H     0.05     0.64     8.14     -51.93      -0.42     0.22     16
  22       H     0.11     2.19     2.86     -51.93      -0.15     2.04     16
  23       H     0.11     2.02     6.25     -51.93      -0.32     1.70     16
  24       H     0.08     0.89     8.14     -51.93      -0.42     0.47     16
  25       H     0.08     0.47     8.14     -51.92      -0.42     0.04     16
  26       H     0.07     0.42     8.14     -51.93      -0.42     0.00     16
  27       H     0.13     2.13     7.72     -51.93      -0.40     1.73     16
  28       H     0.14     0.65     8.14     -51.92      -0.42     0.23     16
  29       H     0.14     0.55     8.14     -51.93      -0.42     0.13     16
  30       H     0.32     5.85     8.90      45.56       0.41     6.26     16
  31       H     0.33     6.24     8.90      45.56       0.41     6.64     16
  32       H     0.11     2.15     6.45     -51.93      -0.34     1.82     16
  33       H     0.06     0.74     8.14     -51.93      -0.42     0.32     16
  34       H     0.07     1.65     8.08     -51.92      -0.42     1.23     16
  35       H     0.08     1.74     8.06     -51.93      -0.42     1.32     16
  36       H     0.09     1.61     8.14     -51.93      -0.42     1.19     16
  37       H     0.14     2.99     4.59     -54.08      -0.25     2.74     16
  38       H     0.10     1.40     8.14     -51.93      -0.42     0.98     16
  39       H     0.08     1.31     6.81     -51.93      -0.35     0.95     16
  40       H     0.09     1.77     8.06     -51.93      -0.42     1.35     16
  41       H     0.08     1.43     4.86     -51.93      -0.25     1.18     16
 Total:         -1.00   -42.15   318.78                 -6.79   -48.94