REAL300018536106.mol2 37                                                        
   1       C    -0.08     0.80     9.46      36.01       0.34     1.14     16
   2       C    -0.25     1.11     6.28     -35.81      -0.22     0.89     16
   3       C    -0.19     1.14     5.25    -106.48      -0.56     0.58     16
   4       C     0.07    -1.10     5.20      -4.97      -0.03    -1.12     16
   5       N    -0.51    10.13     1.74    -116.34      -0.20     9.93     16
   6       H     0.42    -9.01     7.40     -39.29      -0.29    -9.30     16
   7       H     0.43    -8.43     8.66     -39.29      -0.34    -8.77     16
   8       C     0.05    -0.98     5.50      -4.98      -0.03    -1.01     16
   9       C    -0.12     2.08     5.35    -104.67      -0.56     1.52     16
  10       C    -0.09     1.44     9.70     -39.48      -0.38     1.06     16
  11       C    -0.07     0.98    10.03     -39.63      -0.40     0.58     16
  12       C    -0.08     0.76     9.75     -39.25      -0.38     0.38     16
  13       C     0.30    -2.10     9.80     -38.72      -0.38    -2.48     16
  14       O    -0.64    -1.36    17.25     -57.73      -1.00    -2.36     16
  15       O    -0.63    -1.59    17.25     -57.73      -1.00    -2.58     16
  16       C    -0.09     1.05     9.40     -39.25      -0.37     0.68     16
  17       C    -0.12    -0.22     9.70     -40.40      -0.39    -0.61     16
  18       C    -0.20    -1.82     6.27     -38.70      -0.24    -2.07     16
  19       C     0.53     9.97     7.85      32.08       0.25    10.22     16
  20       O    -0.67   -14.77    17.63     -20.71      -0.37   -15.14     16
  21       O    -0.67   -15.37    17.73     -20.71      -0.37   -15.74     16
  22       S     0.29     0.98    22.73    -107.50      -2.44    -1.47     16
  23       H     0.08    -0.59     8.11     -51.93      -0.42    -1.01     16
  24       H     0.06    -0.83     6.95     -51.93      -0.36    -1.19     16
  25       H     0.08    -0.85     7.98     -51.93      -0.41    -1.27     16
  26       H     0.14    -2.22     8.08     -51.93      -0.42    -2.64     16
  27       H     0.13    -2.37     7.66     -51.93      -0.40    -2.77     16
  28       H     0.15    -3.18     8.08     -51.93      -0.42    -3.60     16
  29       H     0.15    -3.51     8.08     -51.93      -0.42    -3.93     16
  30       H     0.16    -3.23     8.06     -52.49      -0.42    -3.65     16
  31       H     0.17    -2.70     8.06     -52.49      -0.42    -3.12     16
  32       H     0.18    -1.49     7.77     -52.49      -0.41    -1.90     16
  33       H     0.35     0.13     8.90      45.56       0.41     0.54     16
  34       H     0.35     0.14     8.90      45.56       0.41     0.55     16
  35       H     0.18    -2.08     7.77     -52.48      -0.41    -2.49     16
  36       H     0.15     0.28     8.02     -52.49      -0.42    -0.14     16
 Total:          0.00   -48.82   332.36                 -8.47   -57.29