REAL300009850703.mol2 42                                                        
   1       O    -0.68   -20.66    16.91     -20.23      -0.34   -21.01     16
   2       C     0.52    14.24     6.60      36.01       0.24    14.47     16
   3       O    -0.67   -20.71    17.76     -20.23      -0.36   -21.07     16
   4       C    -0.16    -3.21     0.60    -157.24      -0.09    -3.30     16
   5       C     0.56    10.62     3.55     -10.99      -0.04    10.58     16
   6       O    -0.52   -10.45    11.36       5.56       0.06   -10.38     16
   7       N    -0.67   -10.27     4.32      -9.88      -0.04   -10.32     16
   8       C     0.21     2.78     6.25     -83.75      -0.52     2.26     16
   9       C    -0.16    -1.55     9.69     -38.95      -0.38    -1.93     16
  10       C    -0.03    -0.23     5.74    -106.77      -0.61    -0.85     16
  11       C    -0.06    -0.39     9.73     -39.53      -0.38    -0.78     16
  12       C    -0.11    -0.99     9.65     -39.64      -0.38    -1.37     16
  13       C     0.32     3.73     9.78     -38.67      -0.38     3.35     16
  14       O    -0.69   -12.23    17.19     -57.73      -0.99   -13.22     16
  15       O    -0.69   -12.01    17.20     -57.73      -0.99   -13.01     16
  16       C    -0.08    -0.78     9.49     -38.78      -0.37    -1.15     16
  17       C    -0.04    -0.42     5.74    -106.82      -0.61    -1.04     16
  18       C    -0.08    -0.84     9.74     -39.48      -0.38    -1.23     16
  19       C    -0.09    -1.24     8.55     -39.76      -0.34    -1.58     16
  20       C    -0.10    -1.66     4.08     -26.94      -0.11    -1.77     16
  21       C    -0.09    -1.20     6.13      37.17       0.23    -0.97     16
  22       S    -0.28    -4.35    22.33    -107.50      -2.40    -6.75     16
  23       C    -0.09    -1.52     6.07      37.21       0.23    -1.30     16
  24       C    -0.08    -1.53     4.23     -26.89      -0.11    -1.64     16
  25       H     0.41     5.66     7.48     -40.82      -0.31     5.35     16
  26       H     0.14     0.97     8.06     -52.49      -0.42     0.54     16
  27       H     0.17     0.55     8.06     -52.49      -0.42     0.13     16
  28       H     0.17     1.37     7.73     -52.49      -0.41     0.97     16
  29       H     0.33     4.92     8.90      45.56       0.41     5.33     16
  30       H     0.33     4.83     8.90      45.56       0.41     5.24     16
  31       H     0.18     1.74     7.73     -52.49      -0.41     1.33     16
  32       H     0.14     1.24     8.06     -52.48      -0.42     0.81     16
  33       H     0.15     2.55     6.40     -52.49      -0.34     2.22     16
  34       H     0.07     1.10     7.23     -51.93      -0.38     0.73     16
  35       H     0.09     1.70     8.06     -51.93      -0.42     1.28     16
  36       H     0.11     1.18     8.14     -51.93      -0.42     0.76     16
  37       H     0.08     1.04     6.22     -51.93      -0.32     0.72     16
  38       H     0.10     1.45     8.14     -51.93      -0.42     1.03     16
  39       H     0.11     1.96     5.17     -51.93      -0.27     1.69     16
  40       H     0.08     1.67     8.06     -51.93      -0.42     1.26     16
  41       H     0.08     1.58     8.08     -51.93      -0.42     1.16     16
 Total:         -1.00   -39.38   353.12                 -8.76   -48.14