REAL300018087211.mol2 43                                                        
   1       O    -0.67   -17.86    17.58     -20.62      -0.36   -18.22     16
   2       C     0.55    13.21     8.03      34.23       0.27    13.49     16
   3       O    -0.66   -17.97    17.89     -20.63      -0.37   -18.34     16
   4       C     0.02     0.27     6.67     -84.62      -0.56    -0.29     16
   5       C    -0.21    -2.31    10.63      30.09       0.32    -1.99     16
   6       S     0.09     0.26    22.10    -107.50      -2.38    -2.11     16
   7       C     0.03     0.15     7.31     -14.49      -0.11     0.04     16
   8       C     0.02    -0.03     5.87    -104.97      -0.62    -0.65     16
   9       C    -0.05     0.08     9.67     -39.20      -0.38    -0.30     16
  10       C    -0.11     0.74    10.03     -39.64      -0.40     0.34     16
  11       C    -0.09     1.15     9.69     -39.50      -0.38     0.77     16
  12       C    -0.17     2.49     5.35    -104.68      -0.56     1.93     16
  13       C     0.05    -1.14     5.49      -4.97      -0.03    -1.17     16
  14       N    -0.51    13.38     1.74    -116.33      -0.20    13.18     16
  15       H     0.43   -11.74     8.66     -39.29      -0.34   -12.08     16
  16       H     0.43   -11.41     8.66     -39.30      -0.34   -11.75     16
  17       C     0.05    -1.21     5.50      -4.97      -0.03    -1.24     16
  18       C    -0.16     3.36     5.36    -104.52      -0.56     2.80     16
  19       C    -0.05     0.96     9.68     -39.63      -0.38     0.57     16
  20       C    -0.11     1.34     9.75     -39.25      -0.38     0.95     16
  21       C     0.32    -2.79     9.80     -38.72      -0.38    -3.17     16
  22       O    -0.63    -0.68    17.25     -57.73      -1.00    -1.68     16
  23       O    -0.64    -0.59    17.25     -57.73      -1.00    -1.59     16
  24       C    -0.11     1.29     9.75     -39.25      -0.38     0.91     16
  25       C    -0.05     0.91     9.68     -39.63      -0.38     0.53     16
  26       C    -0.09     0.79     9.25     -39.20      -0.36     0.43     16
  27       N    -0.39    -4.76    10.06      -7.94      -0.08    -4.84     16
  28       H     0.19     1.97     8.01     -52.49      -0.42     1.55     16
  29       H     0.15     0.30     7.81     -52.49      -0.41    -0.11     16
  30       H     0.14    -1.05     8.06     -52.49      -0.42    -1.48     16
  31       H     0.13    -2.09     8.06     -52.49      -0.42    -2.52     16
  32       H     0.14    -3.29     8.08     -51.93      -0.42    -3.71     16
  33       H     0.14    -3.43     8.08     -51.93      -0.42    -3.85     16
  34       H     0.15    -3.98     8.08     -51.93      -0.42    -4.40     16
  35       H     0.15    -4.04     8.08     -51.93      -0.42    -4.46     16
  36       H     0.17    -3.68     8.06     -52.49      -0.42    -4.10     16
  37       H     0.18    -1.99     7.77     -52.49      -0.41    -2.39     16
  38       H     0.35    -0.33     8.90      45.56       0.41     0.08     16
  39       H     0.35    -0.36     8.90      45.56       0.41     0.05     16
  40       H     0.18    -1.90     7.77     -52.49      -0.41    -2.31     16
  41       H     0.17    -3.56     8.06     -52.49      -0.42    -3.98     16
  42       H     0.13    -1.49     7.28     -52.49      -0.38    -1.88     16
 Total:          0.00   -61.03   389.72                -10.08   -71.11