REAL300018402514.mol2 37                                                        
   1       C    -0.27     1.76     9.15     113.37       1.04     2.80     16
   2       S     0.33     3.18    19.44     -56.49      -1.10     2.08     16
   3       C    -0.12    -1.22     6.16      23.02       0.14    -1.08     16
   4       C    -0.06     0.22     9.35      22.37       0.21     0.43     16
   5       C    -0.11     0.79     9.29      22.42       0.21     1.00     16
   6       C     0.28     0.14     6.65      38.08       0.25     0.39     16
   7       N    -0.62     2.56     5.74    -343.10      -1.97     0.59     16
   8       C     0.14    -1.42     5.03      85.63       0.43    -0.99     16
   9       C    -0.10    -0.31     5.25     -19.80      -0.10    -0.41     16
  10       C    -0.02    -0.23     9.68      22.24       0.22    -0.01     16
  11       C    -0.14    -4.38     9.75      22.49       0.22    -4.16     16
  12       C     0.31    14.84     9.80      22.82       0.22    15.06     16
  13       O    -1.10   -97.95    17.25    -127.47      -2.20  -100.15     16
  14       O    -1.10   -97.96    17.25    -127.47      -2.20  -100.16     16
  15       C    -0.14    -4.38     9.75      22.49       0.22    -4.16     16
  16       C    -0.02    -0.23     9.68      22.24       0.22    -0.01     16
  17       C    -0.12    -1.78     9.43      22.69       0.21    -1.56     16
  18       C    -0.10    -2.26     5.89     -20.01      -0.12    -2.38     16
  19       C     0.49    20.40     7.98      70.11       0.56    20.96     16
  20       O    -0.71   -36.99    17.24      17.54       0.30   -36.68     16
  21       O    -0.68   -30.16    14.64      17.53       0.26   -29.90     16
  22       H     0.14    -1.06     8.14      -2.39      -0.02    -1.08     16
  23       H     0.13    -1.43     7.75      -2.39      -0.02    -1.45     16
  24       H     0.13    -1.43     7.75      -2.39      -0.02    -1.45     16
  25       H     0.20    -2.67     5.88      -2.91      -0.02    -2.69     16
  26       H     0.21    -3.92     6.70      -2.91      -0.02    -3.94     16
  27       H     0.42    -0.60     8.47     -92.70      -0.79    -1.39     16
  28       H     0.15    -2.58     7.87      -2.38      -0.02    -2.60     16
  29       H     0.15    -2.57     7.89      -2.39      -0.02    -2.59     16
  30       H     0.22    -0.14     8.06      -2.91      -0.02    -0.16     16
  31       H     0.14     5.52     7.77      -2.91      -0.02     5.50     16
  32       H     0.23    21.39     8.90     -74.06      -0.66    20.73     16
  33       H     0.23    21.39     8.90     -74.06      -0.66    20.73     16
  34       H     0.14     5.52     7.77      -2.91      -0.02     5.50     16
  35       H     0.22    -0.14     8.06      -2.91      -0.02    -0.16     16
  36       H     0.13     2.64     7.65      -2.91      -0.02     2.62     16
 Total:         -1.00  -195.45   331.98                 -5.33  -200.78