REAL300018435726.mol2 36                                                        
   1       O    -0.71   -53.65    17.62      17.32       0.31   -53.34     16
   2       C     0.53    37.07     8.02      69.99       0.56    37.63     16
   3       O    -0.72   -53.94    17.78      17.34       0.31   -53.63     16
   4       C    -0.25   -13.83     6.31      23.46       0.15   -13.68     16
   5       C    -0.10    -4.43     9.79      21.80       0.21    -4.22     16
   6       C    -0.05    -1.85     5.86     -21.49      -0.13    -1.98     16
   7       C    -0.17    -3.97     9.91      22.93       0.23    -3.74     16
   8       C     0.23     3.08     6.63      37.99       0.25     3.33     16
   9       N    -0.74    -2.67     5.73    -343.52      -1.97    -4.64     16
  10       C     0.16    -0.67     5.03      85.63       0.43    -0.24     16
  11       C    -0.08     0.31     5.25     -19.80      -0.10     0.20     16
  12       C    -0.03     0.08     9.68      22.24       0.22     0.30     16
  13       C    -0.11    -0.59     9.75      22.49       0.22    -0.37     16
  14       C     0.32     4.14     9.80      22.83       0.22     4.36     16
  15       O    -0.75   -24.30    17.25    -127.47      -2.20   -26.50     16
  16       O    -0.75   -24.30    17.25    -127.47      -2.20   -26.50     16
  17       C    -0.11    -0.59     9.75      22.48       0.22    -0.37     16
  18       C    -0.03     0.08     9.68      22.24       0.22     0.30     16
  19       C    -0.14    -1.74     9.29      22.36       0.21    -1.53     16
  20       C    -0.04    -0.91    10.05      22.45       0.23    -0.68     16
  21       C    -0.20    -6.61     6.49      23.12       0.15    -6.46     16
  22       S     0.10     4.28    23.02     -56.49      -1.30     2.98     16
  23       H     0.13     6.13     7.96      -2.91      -0.02     6.11     16
  24       H     0.13     2.71     8.06      -2.92      -0.02     2.69     16
  25       H     0.41     1.11     8.47     -92.71      -0.78     0.33     16
  26       H     0.10    -0.72     7.88      -2.39      -0.02    -0.74     16
  27       H     0.10    -0.72     7.88      -2.39      -0.02    -0.74     16
  28       H     0.21    -1.76     8.06      -2.91      -0.02    -1.78     16
  29       H     0.17     1.26     7.77      -2.91      -0.02     1.24     16
  30       H     0.33     9.56     8.90     -74.06      -0.66     8.90     16
  31       H     0.33     9.56     8.90     -74.06      -0.66     8.90     16
  32       H     0.17     1.26     7.77      -2.91      -0.02     1.24     16
  33       H     0.21    -1.75     8.06      -2.91      -0.02    -1.78     16
  34       H     0.18     0.36     6.71      -2.91      -0.02     0.34     16
  35       H     0.15     2.32     8.06      -2.91      -0.02     2.30     16
 Total:         -1.00  -115.67   334.42                 -6.10  -121.77