REAL300018429214.mol2 36                                                        
   1       O    -0.67    -3.96    15.23     -20.23      -0.31    -4.27     16
   2       C     0.50     2.18     6.73      36.01       0.24     2.42     16
   3       O    -0.62    -7.00    18.00     -20.22      -0.36    -7.36     16
   4       C    -0.05     0.21     2.35     -68.87      -0.16     0.04     16
   5       C    -0.05     0.20     5.45     -27.88      -0.15     0.05     16
   6       C     0.02    -0.07     6.02     -13.45      -0.08    -0.15     16
   7       N    -0.44     0.99    10.54     -11.86      -0.13     0.87     16
   8       C     0.04    -0.17    11.35     -19.18      -0.22    -0.38     16
   9       C    -0.23     1.33    11.37      29.12       0.33     1.66     16
  10       S     0.09    -0.63    21.76    -107.50      -2.34    -2.97     16
  11       N    -0.49     4.96     1.48    -109.22      -0.16     4.80     16
  12       H     0.40    -5.02     6.36     -39.29      -0.25    -5.27     16
  13       H     0.43    -4.76     8.10     -39.29      -0.32    -5.07     16
  14       C     0.04    -0.42     5.12      -4.98      -0.03    -0.44     16
  15       C    -0.14     1.46     5.36    -104.53      -0.56     0.90     16
  16       C    -0.06     0.59     9.68     -39.63      -0.38     0.20     16
  17       C    -0.11     0.70     9.75     -39.25      -0.38     0.32     16
  18       C     0.33    -0.99     9.80     -38.73      -0.38    -1.37     16
  19       O    -0.65    -3.40    17.25     -57.73      -1.00    -4.39     16
  20       O    -0.66    -3.32    17.25     -57.73      -1.00    -4.32     16
  21       C    -0.11     0.60     9.75     -39.25      -0.38     0.22     16
  22       C    -0.04     0.37     9.68     -39.63      -0.38    -0.02     16
  23       H     0.14    -0.73     8.09     -51.93      -0.42    -1.15     16
  24       H     0.14    -0.19     8.14     -51.93      -0.42    -0.61     16
  25       H     0.11    -0.65     8.14     -51.93      -0.42    -1.07     16
  26       H     0.19    -1.03     8.06     -52.49      -0.42    -1.45     16
  27       H     0.19    -1.42     8.06     -52.49      -0.42    -1.85     16
  28       H     0.17    -1.18     5.96     -51.93      -0.31    -1.49     16
  29       H     0.14    -1.69     8.05     -51.93      -0.42    -2.11     16
  30       H     0.17    -2.25     8.06     -52.49      -0.42    -2.68     16
  31       H     0.18    -1.05     7.77     -52.49      -0.41    -1.46     16
  32       H     0.34     0.99     8.90      45.56       0.41     1.40     16
  33       H     0.34     0.96     8.90      45.56       0.41     1.37     16
  34       H     0.18    -0.87     7.77     -52.49      -0.41    -1.28     16
  35       H     0.18    -1.75     8.06     -52.48      -0.42    -2.17     16
 Total:          0.00   -27.01   322.35                 -7.23   -34.24