REAL300018087210.mol2 43                                                        
   1       O    -0.67   -18.30    17.58     -20.63      -0.36   -18.66     16
   2       C     0.55    13.62     8.03      34.22       0.27    13.90     16
   3       O    -0.66   -18.47    17.89     -20.63      -0.37   -18.84     16
   4       C     0.02     0.29     6.67     -84.63      -0.56    -0.28     16
   5       C    -0.22    -2.53    10.63      30.09       0.32    -2.21     16
   6       S     0.08     0.35    22.11    -107.50      -2.38    -2.03     16
   7       C     0.04     0.23     7.31     -14.49      -0.11     0.12     16
   8       C     0.01     0.00     5.87    -104.97      -0.62    -0.61     16
   9       C    -0.05    -0.02     9.67     -39.20      -0.38    -0.40     16
  10       C    -0.11     0.44    10.03     -39.64      -0.40     0.04     16
  11       C    -0.09     0.74     9.69     -39.50      -0.38     0.35     16
  12       C    -0.16     1.75     5.35    -104.68      -0.56     1.19     16
  13       C     0.06    -0.95     5.50      -4.98      -0.03    -0.97     16
  14       N    -0.50     9.74     1.59    -116.34      -0.18     9.55     16
  15       H     0.43    -7.80     7.07     -39.29      -0.28    -8.07     16
  16       H     0.42    -9.12     8.66     -39.29      -0.34    -9.46     16
  17       C     0.04    -0.85     4.65      -4.97      -0.02    -0.87     16
  18       C    -0.14     2.37     5.38    -104.29      -0.56     1.81     16
  19       C    -0.06     1.03     9.66     -39.63      -0.38     0.65     16
  20       C    -0.10     1.70    10.04     -39.49      -0.40     1.30     16
  21       C    -0.04     0.64    10.03     -39.63      -0.40     0.24     16
  22       C    -0.11     1.43     9.75     -39.25      -0.38     1.05     16
  23       C     0.32    -4.08     9.76     -38.73      -0.38    -4.46     16
  24       O    -0.58     2.65    17.25     -57.73      -1.00     1.65     16
  25       O    -0.74     7.48    12.38     -57.73      -0.71     6.77     16
  26       C    -0.09     0.56     9.25     -39.20      -0.36     0.20     16
  27       N    -0.39    -5.24    10.06      -7.94      -0.08    -5.32     16
  28       H     0.19     2.10     8.01     -52.49      -0.42     1.68     16
  29       H     0.15     0.56     7.81     -52.49      -0.41     0.15     16
  30       H     0.14    -0.69     8.06     -52.48      -0.42    -1.11     16
  31       H     0.13    -1.43     8.06     -52.49      -0.42    -1.85     16
  32       H     0.14    -2.56     8.08     -51.93      -0.42    -2.98     16
  33       H     0.14    -2.39     8.08     -51.93      -0.42    -2.81     16
  34       H     0.14    -3.16     8.00     -51.93      -0.42    -3.58     16
  35       H     0.17    -2.83     5.75     -51.93      -0.30    -3.13     16
  36       H     0.18    -3.67     8.04     -52.48      -0.42    -4.09     16
  37       H     0.17    -2.99     8.06     -52.49      -0.42    -3.41     16
  38       H     0.18    -2.93     8.06     -52.49      -0.42    -3.35     16
  39       H     0.18    -2.19     7.77     -52.49      -0.41    -2.59     16
  40       H     0.36    -2.34     8.90      45.56       0.41    -1.94     16
  41       H     0.34    -3.28     8.90      45.56       0.41    -2.88     16
  42       H     0.13    -1.16     7.28     -52.49      -0.38    -1.55     16
 Total:          0.00   -51.31   380.73                 -9.76   -61.08