REAL300009850704.mol2 44                                                        
   1       O    -0.71   -41.87    16.89      19.04       0.32   -41.55     16
   2       C     0.50    26.60     6.61      71.23       0.47    27.07     16
   3       O    -0.71   -42.61    17.76      19.06       0.34   -42.27     16
   4       C    -0.16    -5.99     0.58     -53.95      -0.03    -6.02     16
   5       C     0.55    18.30     3.63      87.66       0.32    18.62     16
   6       O    -0.54   -19.08    11.10      -3.05      -0.03   -19.12     16
   7       N    -0.66   -16.36     4.34    -303.57      -1.32   -17.67     16
   8       C     0.17     3.39     6.27      38.24       0.24     3.63     16
   9       C    -0.12    -1.27     9.69      22.67       0.22    -1.05     16
  10       C    -0.03    -0.34     5.74     -21.25      -0.12    -0.46     16
  11       C    -0.01    -0.05     9.73      22.31       0.22     0.17     16
  12       C    -0.12    -1.34     9.65      22.23       0.21    -1.12     16
  13       C     0.32     6.54     9.78      22.86       0.22     6.76     16
  14       O    -0.75   -28.23    17.19    -127.47      -2.19   -30.42     16
  15       O    -0.73   -25.70    17.20    -127.47      -2.19   -27.89     16
  16       C    -0.08    -1.30     9.49      22.79       0.22    -1.09     16
  17       C    -0.03    -0.52     5.74     -21.28      -0.12    -0.64     16
  18       C    -0.07    -1.27     9.74      22.33       0.22    -1.05     16
  19       C    -0.11    -2.69     8.58      22.16       0.19    -2.50     16
  20       C    -0.07    -2.54     4.19      30.47       0.13    -2.42     16
  21       C    -0.61   -16.71     5.98      72.00       0.43   -16.28     16
  22       S     2.42    61.36     5.31     -56.49      -0.30    61.06     16
  23       O    -0.97   -30.48    17.94    -127.38      -2.29   -32.76     16
  24       O    -0.97   -28.47    18.10    -127.38      -2.31   -30.78     16
  25       C    -0.59   -11.09     6.05      71.99       0.44   -10.66     16
  26       C    -0.09    -2.42     4.14      30.47       0.13    -2.30     16
  27       H     0.43     8.93     7.72     -92.71      -0.72     8.21     16
  28       H     0.19     0.39     8.06      -2.91      -0.02     0.36     16
  29       H     0.23    -1.19     8.06      -2.91      -0.02    -1.21     16
  30       H     0.19     1.93     7.73      -2.91      -0.02     1.91     16
  31       H     0.33    10.85     8.90     -74.06      -0.66    10.19     16
  32       H     0.33    10.31     8.90     -74.06      -0.66     9.65     16
  33       H     0.18     3.19     7.73      -2.91      -0.02     3.17     16
  34       H     0.16     2.23     8.06      -2.91      -0.02     2.20     16
  35       H     0.13     3.83     6.23      -2.91      -0.02     3.81     16
  36       H     0.07     2.66     8.09      -2.39      -0.02     2.64     16
  37       H     0.09     3.27     8.01      -2.39      -0.02     3.25     16
  38       H     0.15     3.48     8.14      -2.39      -0.02     3.46     16
  39       H     0.16     4.33     5.16      -2.39      -0.01     4.31     16
  40       H     0.19     1.92     8.14      -2.39      -0.02     1.90     16
  41       H     0.15     2.24     6.30      -2.39      -0.02     2.23     16
  42       H     0.10     2.86     8.01      -2.39      -0.02     2.84     16
  43       H     0.11     2.50     7.30      -2.39      -0.02     2.48     16
 Total:         -1.00  -100.41   371.99                 -8.90  -109.32