REAL300009850742.mol2 41                                                        
   1       O    -0.71   -44.19    15.60      19.04       0.30   -43.89     16
   2       C     0.50    28.60     5.70      71.24       0.41    29.01     16
   3       O    -0.72   -46.00    17.76      19.06       0.34   -45.66     16
   4       C    -0.16    -6.63     0.42     -53.95      -0.02    -6.65     16
   5       C     0.57    20.41     3.92      87.66       0.34    20.76     16
   6       O    -0.56   -20.75    13.60      -3.05      -0.04   -20.80     16
   7       N    -0.60   -16.52     2.75    -811.82      -2.24   -18.76     16
   8       C     0.08     1.97     4.82      86.73       0.42     2.39     16
   9       C    -0.11    -1.90     5.66      31.78       0.18    -1.72     16
  10       C    -0.17    -2.40     3.05      -9.40      -0.03    -2.43     16
  11       C     0.42     2.73     9.02      71.98       0.65     3.38     16
  12       O    -0.81   -27.89    17.78    -127.47      -2.27   -30.15     16
  13       O    -0.73   -23.73    15.26    -127.47      -1.95   -25.67     16
  14       C     0.13     1.95     6.36      86.85       0.55     2.50     16
  15       C    -0.07    -2.73     4.23      30.45       0.13    -2.60     16
  16       C    -0.61   -18.02     5.98      71.97       0.43   -17.59     16
  17       S     2.43    65.90     5.30     -56.49      -0.30    65.60     16
  18       O    -0.97   -32.56    17.94    -127.38      -2.28   -34.85     16
  19       O    -0.97   -29.10    18.10    -127.38      -2.31   -31.40     16
  20       C    -0.59   -12.92     5.55      72.00       0.40   -12.52     16
  21       C    -0.10    -3.30     3.85      30.47       0.12    -3.19     16
  22       H     0.11     2.19     5.31      -2.39      -0.01     2.18     16
  23       H     0.04     1.51     6.28      -2.39      -0.02     1.49     16
  24       H     0.13     1.08     7.91      -2.39      -0.02     1.06     16
  25       H     0.08     1.95     6.96      -2.39      -0.02     1.93     16
  26       H     0.10     2.31     8.14      -2.39      -0.02     2.29     16
  27       H     0.19    -0.33     8.14      -2.39      -0.02    -0.35     16
  28       H     0.21    -1.19     7.97      -2.38      -0.02    -1.21     16
  29       H     0.32    10.56     8.90     -74.06      -0.66     9.90     16
  30       H     0.33    10.22     8.90     -74.06      -0.66     9.57     16
  31       H     0.10     1.59     8.09      -2.39      -0.02     1.57     16
  32       H     0.14     0.44     8.04      -2.38      -0.02     0.42     16
  33       H     0.06     2.71     8.09      -2.39      -0.02     2.69     16
  34       H     0.09     3.37     8.01      -2.38      -0.02     3.35     16
  35       H     0.15     3.70     8.14      -2.39      -0.02     3.68     16
  36       H     0.17     4.95     4.91      -3.10      -0.02     4.93     16
  37       H     0.18     2.44     8.14      -2.39      -0.02     2.42     16
  38       H     0.15     2.63     6.54      -2.39      -0.02     2.62     16
  39       H     0.09     3.10     8.01      -2.38      -0.02     3.08     16
  40       H     0.11     3.26     4.44      -2.39      -0.01     3.25     16
 Total:         -1.00  -110.59   323.60                 -8.79  -119.38