REAL300009850666.mol2 41                                                        
   1       O    -0.70   -39.15    13.94      19.05       0.27   -38.88     16
   2       C     0.50    25.68     5.00      71.24       0.36    26.04     16
   3       O    -0.71   -42.36    17.76      19.06       0.34   -42.02     16
   4       C    -0.17    -6.19     0.42     -53.95      -0.02    -6.21     16
   5       C     0.56    17.65     3.85      87.66       0.34    17.99     16
   6       O    -0.55   -18.56    12.61      -3.03      -0.04   -18.60     16
   7       N    -0.61   -13.87     2.62    -818.93      -2.15   -16.01     16
   8       C     0.13     1.77     6.44      86.36       0.56     2.33     16
   9       C    -0.18    -3.32     5.29      30.67       0.16    -3.15     16
  10       C     0.40     8.24     5.89      30.62       0.18     8.42     16
  11       O    -0.78   -34.09    16.88    -127.47      -2.15   -36.24     16
  12       O    -0.77   -31.55    16.88    -127.47      -2.15   -33.70     16
  13       C    -0.18    -4.66     5.13      30.67       0.16    -4.50     16
  14       C     0.13     2.65     3.77      86.36       0.33     2.97     16
  15       C    -0.10    -2.71     4.09      30.47       0.12    -2.58     16
  16       C    -0.59   -10.39     6.07      71.99       0.44    -9.96     16
  17       S     2.42    60.67     5.31     -56.49      -0.30    60.37     16
  18       O    -0.97   -30.88    17.94    -127.38      -2.29   -33.17     16
  19       O    -0.97   -27.94    18.11    -127.38      -2.31   -30.25     16
  20       C    -0.62   -17.01     5.98      72.00       0.43   -16.58     16
  21       C    -0.07    -2.52     4.25      30.47       0.13    -2.39     16
  22       H     0.13     1.97     7.00      -2.39      -0.02     1.95     16
  23       H     0.16     0.20     8.14      -2.39      -0.02     0.18     16
  24       H     0.07     2.02     8.14      -2.38      -0.02     2.00     16
  25       H     0.14     2.23     7.87      -2.39      -0.02     2.21     16
  26       H     0.22     1.36     8.14      -2.38      -0.02     1.34     16
  27       H     0.32    13.00     8.90     -74.05      -0.66    12.34     16
  28       H     0.32    12.35     8.90     -74.06      -0.66    11.69     16
  29       H     0.12     3.15     7.88      -2.38      -0.02     3.13     16
  30       H     0.07     2.93     6.90      -2.38      -0.02     2.91     16
  31       H     0.11     3.18     2.98      -2.39      -0.01     3.17     16
  32       H     0.16     1.01     8.11      -2.39      -0.02     0.99     16
  33       H     0.12     2.58     4.79      -2.39      -0.01     2.57     16
  34       H     0.09     2.74     8.01      -2.38      -0.02     2.72     16
  35       H     0.19     1.72     8.14      -2.39      -0.02     1.70     16
  36       H     0.15     1.98     6.65      -2.39      -0.02     1.96     16
  37       H     0.15     3.45     8.14      -2.39      -0.02     3.43     16
  38       H     0.17     4.68     4.83      -7.41      -0.04     4.65     16
  39       H     0.09     3.15     8.01      -2.39      -0.02     3.14     16
  40       H     0.06     2.46     8.09      -2.39      -0.02     2.45     16
 Total:         -1.00  -102.37   317.88                 -9.24  -111.60