REAL300018536105.mol2 37                                                        
   1       C    -0.08     0.78     9.77      36.00       0.35     1.13     16
   2       C    -0.25     1.19     6.28     -35.81      -0.22     0.96     16
   3       C    -0.19     1.24     5.25    -106.48      -0.56     0.68     16
   4       C     0.07    -1.14     4.96      -4.97      -0.02    -1.17     16
   5       N    -0.51    10.57     1.74    -116.34      -0.20    10.37     16
   6       H     0.43    -9.06     8.66     -39.29      -0.34    -9.40     16
   7       H     0.42    -9.13     7.16     -39.29      -0.28    -9.41     16
   8       C     0.05    -0.99     5.49      -4.98      -0.03    -1.02     16
   9       C    -0.16     2.80     5.36    -104.53      -0.56     2.24     16
  10       C    -0.05     0.76     9.68     -39.63      -0.38     0.38     16
  11       C    -0.11     1.06     9.75     -39.25      -0.38     0.68     16
  12       C     0.32    -2.18     9.80     -38.72      -0.38    -2.56     16
  13       O    -0.64    -1.61    17.25     -57.73      -1.00    -2.61     16
  14       O    -0.64    -1.51    17.25     -57.73      -1.00    -2.51     16
  15       C    -0.11     1.12     9.75     -39.25      -0.38     0.73     16
  16       C    -0.05     0.84     9.68     -39.63      -0.38     0.46     16
  17       C    -0.12    -0.13     9.70     -40.40      -0.39    -0.52     16
  18       C    -0.20    -1.71     6.27     -38.70      -0.24    -1.95     16
  19       C     0.53     9.66     7.85      32.08       0.25     9.91     16
  20       O    -0.67   -14.31    17.63     -20.71      -0.37   -14.67     16
  21       O    -0.67   -15.04    17.73     -20.72      -0.37   -15.41     16
  22       S     0.29     0.88    22.75    -107.50      -2.45    -1.57     16
  23       H     0.08    -0.76     8.14     -51.92      -0.42    -1.18     16
  24       H     0.08    -0.66     8.14     -51.93      -0.42    -1.09     16
  25       H     0.05    -0.77     6.02     -51.93      -0.31    -1.08     16
  26       H     0.13    -2.39     7.74     -51.93      -0.40    -2.80     16
  27       H     0.14    -2.36     8.08     -51.93      -0.42    -2.77     16
  28       H     0.15    -3.43     8.08     -51.93      -0.42    -3.85     16
  29       H     0.15    -3.41     8.08     -51.93      -0.42    -3.83     16
  30       H     0.17    -3.09     8.06     -52.48      -0.42    -3.51     16
  31       H     0.18    -1.56     7.77     -52.49      -0.41    -1.96     16
  32       H     0.35     0.13     8.90      45.56       0.41     0.54     16
  33       H     0.34     0.09     8.90      45.56       0.41     0.50     16
  34       H     0.18    -1.66     7.77     -52.49      -0.41    -2.07     16
  35       H     0.17    -3.24     8.06     -52.48      -0.42    -3.66     16
  36       H     0.15     0.13     8.02     -52.48      -0.42    -0.29     16
 Total:          0.00   -48.90   331.55                 -8.43   -57.33