REAL300009850774.mol2 44                                                        
   1       O    -0.69   -38.73    13.06      19.06       0.25   -38.48     16
   2       C     0.50    27.50     5.00      71.24       0.36    27.85     16
   3       O    -0.72   -45.56    17.76      19.06       0.34   -45.22     16
   4       C    -0.17    -7.10     0.42     -53.95      -0.02    -7.12     16
   5       C     0.55    20.05     3.95      87.66       0.35    20.40     16
   6       O    -0.56   -20.79    12.36      -3.04      -0.04   -20.82     16
   7       N    -0.59   -17.15     2.73    -818.90      -2.23   -19.38     16
   8       C     0.10     1.80     6.42      86.36       0.55     2.36     16
   9       C    -0.10    -1.08     5.36      30.67       0.16    -0.91     16
  10       C    -0.14    -2.06     1.86     -10.77      -0.02    -2.08     16
  11       C     0.41     5.01     9.01      71.98       0.65     5.66     16
  12       O    -0.72   -25.47    14.55    -127.47      -1.85   -27.33     16
  13       O    -0.82   -31.71    17.78    -127.47      -2.27   -33.98     16
  14       C    -0.13    -3.96     4.97      30.67       0.15    -3.81     16
  15       C     0.11     3.36     4.02      86.36       0.35     3.71     16
  16       C    -0.07    -2.67     4.30      30.47       0.13    -2.54     16
  17       C    -0.62   -19.37     5.98      71.99       0.43   -18.94     16
  18       S     2.42    73.58     5.30     -56.49      -0.30    73.28     16
  19       O    -0.97   -35.37    17.94    -127.38      -2.29   -37.66     16
  20       O    -0.97   -32.56    18.11    -127.38      -2.31   -34.86     16
  21       C    -0.59   -15.49     6.07      71.99       0.44   -15.05     16
  22       C    -0.10    -3.45     4.14      30.47       0.13    -3.33     16
  23       H     0.11     1.20     8.14      -2.38      -0.02     1.18     16
  24       H     0.10     1.95     7.02      -2.39      -0.02     1.93     16
  25       H     0.15    -0.14     8.14      -2.39      -0.02    -0.16     16
  26       H     0.08     1.12     8.14      -2.39      -0.02     1.10     16
  27       H     0.13     1.81     8.03      -2.39      -0.02     1.79     16
  28       H     0.16     1.46     8.14      -2.38      -0.02     1.44     16
  29       H     0.20    -0.15     8.14      -2.38      -0.02    -0.17     16
  30       H     0.33    10.98     8.90     -74.06      -0.66    10.32     16
  31       H     0.32    11.70     8.90     -74.06      -0.66    11.04     16
  32       H     0.07     2.51     6.19      -2.39      -0.01     2.49     16
  33       H     0.08     2.72     5.85      -2.39      -0.01     2.71     16
  34       H     0.09     2.14     8.14      -2.39      -0.02     2.12     16
  35       H     0.07     2.85     2.86      -2.39      -0.01     2.84     16
  36       H     0.07     2.80     8.09      -2.38      -0.02     2.79     16
  37       H     0.08     3.27     8.01      -2.39      -0.02     3.25     16
  38       H     0.15     3.91     8.14      -2.39      -0.02     3.89     16
  39       H     0.18     5.73     4.60     -32.63      -0.15     5.58     16
  40       H     0.17     3.25     8.14      -2.39      -0.02     3.24     16
  41       H     0.14     3.30     6.82      -2.39      -0.02     3.29     16
  42       H     0.09     3.26     8.01      -2.39      -0.02     3.24     16
  43       H     0.10     3.48     4.86      -2.39      -0.01     3.46     16
 Total:         -1.00  -102.07   334.41                 -8.82  -110.90