REAL300009850833.mol2 41                                                        
   1       O    -0.69   -33.23    13.06      19.06       0.25   -32.98     16
   2       C     0.51    23.84     5.00      71.24       0.36    24.20     16
   3       O    -0.71   -38.90    17.76      19.03       0.34   -38.56     16
   4       C    -0.16    -5.87     0.42     -53.95      -0.02    -5.90     16
   5       C     0.55    18.42     3.95      87.66       0.35    18.76     16
   6       O    -0.55   -20.15    12.36      -3.07      -0.04   -20.19     16
   7       N    -0.57   -14.97     2.73    -818.89      -2.23   -17.20     16
   8       C     0.07     1.50     4.02      86.36       0.35     1.85     16
   9       C    -0.10    -1.82     5.84      30.67       0.18    -1.64     16
  10       C    -0.16    -2.32     5.69      30.62       0.17    -2.14     16
  11       C     0.35     8.03     5.74      30.67       0.18     8.21     16
  12       O    -0.79   -32.57    17.73    -127.47      -2.26   -34.83     16
  13       O    -0.68   -26.99    16.73    -127.47      -2.13   -29.12     16
  14       C     0.07     1.82     5.24      86.36       0.45     2.27     16
  15       C    -0.07    -2.50     4.30      30.44       0.13    -2.37     16
  16       C    -0.62   -18.44     5.98      71.97       0.43   -18.01     16
  17       S     2.42    67.66     5.30     -56.49      -0.30    67.36     16
  18       O    -0.97   -32.18    17.94    -127.38      -2.28   -34.46     16
  19       O    -0.98   -32.06    18.11    -127.38      -2.31   -34.36     16
  20       C    -0.59   -12.79     6.07      71.99       0.44   -12.35     16
  21       C    -0.10    -2.76     4.14      30.47       0.13    -2.63     16
  22       H     0.10     2.78     2.86      -2.39      -0.01     2.77     16
  23       H     0.12     1.39     8.14      -2.39      -0.02     1.37     16
  24       H     0.08     2.15     6.19      -2.39      -0.01     2.13     16
  25       H     0.15     1.59     8.14      -2.39      -0.02     1.57     16
  26       H     0.13     1.59     7.58      -2.39      -0.02     1.57     16
  27       H     0.13     1.43     8.14      -2.39      -0.02     1.41     16
  28       H     0.16     3.46     8.14      -2.39      -0.02     3.44     16
  29       H     0.31     9.98     8.40     -74.06      -0.62     9.36     16
  30       H     0.34    12.89     9.20     -74.06      -0.68    12.21     16
  31       H     0.13     2.66     8.03      -2.39      -0.02     2.64     16
  32       H     0.11     3.13     7.01      -2.38      -0.02     3.11     16
  33       H     0.07     2.61     8.09      -2.39      -0.02     2.59     16
  34       H     0.09     3.24     8.01      -2.39      -0.02     3.22     16
  35       H     0.15     3.71     8.14      -2.39      -0.02     3.69     16
  36       H     0.17     5.38     4.61     -32.50      -0.15     5.23     16
  37       H     0.18     2.45     8.14      -2.39      -0.02     2.43     16
  38       H     0.14     2.74     6.82      -2.39      -0.02     2.72     16
  39       H     0.10     2.88     8.01      -2.39      -0.02     2.86     16
  40       H     0.12     2.75     4.86      -2.39      -0.01     2.74     16
 Total:         -1.00   -87.49   316.64                 -9.56   -97.05