REAL300009850832.mol2 39                                                        
   1       O    -0.68   -18.15    14.01     -20.23      -0.28   -18.43     16
   2       C     0.51    13.11     5.00      36.00       0.18    13.29     16
   3       O    -0.67   -19.38    17.76     -20.23      -0.36   -19.74     16
   4       C    -0.15    -3.12     0.42    -157.25      -0.07    -3.19     16
   5       C     0.56    10.87     3.86     -10.98      -0.04    10.83     16
   6       O    -0.53   -11.15    12.57       5.55       0.07   -11.08     16
   7       N    -0.59    -9.27     2.56    -172.76      -0.44    -9.72     16
   8       C     0.09     1.21     3.77      -3.71      -0.01     1.20     16
   9       C    -0.11    -1.33     5.93     -26.61      -0.16    -1.49     16
  10       C    -0.16    -1.88     4.65     -26.68      -0.12    -2.00     16
  11       C     0.39     5.57     5.91     -26.61      -0.16     5.41     16
  12       O    -0.74   -14.98    16.79     -57.73      -0.97   -15.95     16
  13       O    -0.72   -15.59    17.67     -57.73      -1.02   -16.61     16
  14       C     0.07     0.95     6.31      -3.71      -0.02     0.93     16
  15       C    -0.11    -1.80     4.10     -26.90      -0.11    -1.91     16
  16       C    -0.08    -1.21     6.15      37.21       0.23    -0.98     16
  17       S    -0.29    -4.66    22.33    -107.50      -2.40    -7.06     16
  18       C    -0.10    -1.77     6.06      37.21       0.23    -1.54     16
  19       C    -0.08    -1.52     4.29     -26.89      -0.12    -1.63     16
  20       H     0.13     2.22     2.98     -51.93      -0.15     2.06     16
  21       H     0.07     0.74     8.11     -51.93      -0.42     0.32     16
  22       H     0.11     1.60     6.95     -51.93      -0.36     1.24     16
  23       H     0.11     1.03     8.14     -51.93      -0.42     0.60     16
  24       H     0.11     1.25     8.13     -51.93      -0.42     0.83     16
  25       H     0.11     1.15     8.14     -51.93      -0.42     0.73     16
  26       H     0.15     2.04     8.14     -51.93      -0.42     1.62     16
  27       H     0.32     5.81     8.90      45.56       0.41     6.21     16
  28       H     0.32     6.07     8.90      45.56       0.41     6.48     16
  29       H     0.10     1.28     8.14     -51.93      -0.42     0.86     16
  30       H     0.13     2.15     7.00     -51.93      -0.36     1.78     16
  31       H     0.08     1.24     4.80     -51.92      -0.25     1.00     16
  32       H     0.09     1.65     8.06     -51.93      -0.42     1.23     16
  33       H     0.10     1.27     8.14     -51.93      -0.42     0.84     16
  34       H     0.08     1.14     6.63     -51.93      -0.34     0.79     16
  35       H     0.10     1.49     8.14     -51.92      -0.42     1.07     16
  36       H     0.13     2.38     4.80     -52.48      -0.25     2.12     16
  37       H     0.08     1.67     8.06     -51.93      -0.42     1.25     16
  38       H     0.07     1.55     8.09     -51.93      -0.42     1.13     16
 Total:         -1.00   -36.37   300.40                 -6.61   -42.98