REAL300009850665.mol2 39                                                        
   1       O    -0.67   -19.04    13.96     -20.22      -0.28   -19.33     16
   2       C     0.51    13.41     5.00      36.00       0.18    13.59     16
   3       O    -0.67   -20.02    17.76     -20.23      -0.36   -20.38     16
   4       C    -0.16    -3.26     0.42    -157.24      -0.07    -3.33     16
   5       C     0.57    10.53     3.86     -10.98      -0.04    10.49     16
   6       O    -0.54   -10.61    12.56       5.55       0.07   -10.54     16
   7       N    -0.61    -9.06     2.57    -172.77      -0.44    -9.50     16
   8       C     0.13     1.42     6.44      -3.72      -0.02     1.40     16
   9       C    -0.18    -2.19     5.29     -26.61      -0.14    -2.33     16
  10       C     0.39     5.17     5.89     -26.69      -0.16     5.01     16
  11       O    -0.73   -16.10    16.88     -57.73      -0.97   -17.07     16
  12       O    -0.75   -16.18    16.88     -57.73      -0.97   -17.16     16
  13       C    -0.18    -2.69     5.14     -26.61      -0.14    -2.83     16
  14       C     0.13     1.84     3.77      -3.71      -0.01     1.82     16
  15       C    -0.11    -1.77     4.10     -26.94      -0.11    -1.88     16
  16       C    -0.08    -1.12     6.15      37.17       0.23    -0.89     16
  17       S    -0.29    -4.47    22.33    -107.50      -2.40    -6.87     16
  18       C    -0.10    -1.68     6.06      37.21       0.23    -1.45     16
  19       C    -0.08    -1.50     4.30     -26.89      -0.12    -1.61     16
  20       H     0.13     1.46     7.00     -51.93      -0.36     1.10     16
  21       H     0.08     0.58     8.14     -51.93      -0.42     0.15     16
  22       H     0.11     1.72     8.14     -51.93      -0.42     1.30     16
  23       H     0.12     1.32     7.88     -51.93      -0.41     0.91     16
  24       H     0.14     1.13     8.14     -51.93      -0.42     0.71     16
  25       H     0.32     6.39     8.90      45.56       0.41     6.79     16
  26       H     0.32     6.25     8.90      45.56       0.41     6.65     16
  27       H     0.12     1.71     7.88     -51.93      -0.41     1.30     16
  28       H     0.13     2.64     6.91     -51.93      -0.36     2.28     16
  29       H     0.14     2.49     2.97     -51.93      -0.15     2.34     16
  30       H     0.08     0.67     8.11     -51.93      -0.42     0.25     16
  31       H     0.08     1.17     4.81     -51.93      -0.25     0.92     16
  32       H     0.09     1.65     8.06     -51.93      -0.42     1.23     16
  33       H     0.10     1.17     8.14     -51.93      -0.42     0.75     16
  34       H     0.08     1.01     6.63     -51.92      -0.34     0.66     16
  35       H     0.09     1.43     8.14     -51.93      -0.42     1.01     16
  36       H     0.13     2.26     4.79     -52.51      -0.25     2.01     16
  37       H     0.08     1.64     8.06     -51.93      -0.42     1.22     16
  38       H     0.07     1.54     8.09     -51.93      -0.42     1.12     16
 Total:         -1.00   -39.10   299.06                 -6.55   -45.65