REAL300018402513.mol2 37                                                        
   1       C    -0.27    -1.63     9.15     113.37       1.04    -0.60     16
   2       S     0.32     7.31    19.44     -56.49      -1.10     6.21     16
   3       C    -0.12    -3.40     6.16      23.02       0.14    -3.26     16
   4       C    -0.06    -1.18     9.35      22.37       0.21    -0.97     16
   5       C    -0.12    -2.54     9.29      22.42       0.21    -2.33     16
   6       C     0.26     7.94     6.65      38.08       0.25     8.20     16
   7       N    -0.58   -17.11     4.96    -343.11      -1.70   -18.82     16
   8       C     0.14     3.51     4.07      85.64       0.35     3.86     16
   9       C    -0.13    -3.34     5.28     -19.65      -0.10    -3.44     16
  10       C    -0.05    -0.45     9.66      22.24       0.21    -0.23     16
  11       C    -0.10    -0.64    10.04      22.33       0.22    -0.42     16
  12       C    -0.05    -0.75    10.03      22.24       0.22    -0.52     16
  13       C    -0.15    -5.12     9.75      22.49       0.22    -4.90     16
  14       C     0.29    12.38     9.76      22.83       0.22    12.60     16
  15       O    -1.10   -92.63    17.25    -127.47      -2.20   -94.83     16
  16       O    -0.98   -67.02    13.35    -127.47      -1.70   -68.72     16
  17       C    -0.12    -4.70     9.43      22.69       0.21    -4.48     16
  18       C    -0.10    -4.20     5.89     -20.01      -0.12    -4.32     16
  19       C     0.50    27.79     7.98      70.12       0.56    28.35     16
  20       O    -0.71   -46.01    17.24      17.54       0.30   -45.70     16
  21       O    -0.67   -37.46    14.64      17.53       0.26   -37.21     16
  22       H     0.13     0.15     7.75      -2.39      -0.02     0.13     16
  23       H     0.12     0.47     7.75      -2.39      -0.02     0.45     16
  24       H     0.15     0.36     8.14      -2.39      -0.02     0.34     16
  25       H     0.20     1.35     5.88      -2.91      -0.02     1.34     16
  26       H     0.18     2.67     6.70      -2.91      -0.02     2.65     16
  27       H     0.41    12.86     8.47     -92.71      -0.79    12.07     16
  28       H     0.16     1.63     7.79      -2.39      -0.02     1.61     16
  29       H     0.10     3.81     5.58      -2.39      -0.01     3.79     16
  30       H     0.22    -0.34     8.03      -2.91      -0.02    -0.36     16
  31       H     0.21    -0.94     8.06      -2.91      -0.02    -0.96     16
  32       H     0.20     1.24     8.06      -2.91      -0.02     1.22     16
  33       H     0.13     5.30     7.77      -2.91      -0.02     5.28     16
  34       H     0.23    19.73     8.90     -74.06      -0.66    19.07     16
  35       H     0.23    17.67     8.90     -74.06      -0.66    17.01     16
  36       H     0.13     5.48     7.65      -2.91      -0.02     5.45     16
 Total:         -1.00  -157.82   324.83                 -4.63  -162.45