REAL300018448840.mol2 47                                                        
   1       O    -0.68   -16.96    18.00     -20.23      -0.36   -17.33     16
   2       C     0.50     9.58     7.38      36.01       0.27     9.85     16
   3       O    -0.70   -14.49    17.18     -20.23      -0.35   -14.84     16
   4       C    -0.20    -1.82     3.78     -90.86      -0.34    -2.16     16
   5       C    -0.07    -0.24     6.75     -26.14      -0.18    -0.42     16
   6       C    -0.57     2.37     0.91     -90.52      -0.08     2.29     16
   7       C    -0.08    -0.02     6.05     -26.13      -0.16    -0.18     16
   8       C    -0.11     1.43     4.47     -27.02      -0.12     1.31     16
   9       C     0.01    -0.13     2.02     -68.07      -0.14    -0.27     16
  10       N    -0.50    12.46     1.56    -108.37      -0.17    12.29     16
  11       H     0.43   -11.54     8.59     -39.29      -0.34   -11.88     16
  12       H     0.44   -11.46     8.54     -39.29      -0.34   -11.80     16
  13       C     0.04    -0.94     5.22      -4.98      -0.03    -0.96     16
  14       C    -0.16     3.20     5.36    -104.53      -0.56     2.64     16
  15       C    -0.05     0.93     9.68     -39.63      -0.38     0.55     16
  16       C    -0.11     1.29     9.75     -39.24      -0.38     0.91     16
  17       C     0.32    -2.71     9.80     -38.72      -0.38    -3.09     16
  18       O    -0.63    -0.77    17.25     -57.73      -1.00    -1.77     16
  19       O    -0.64    -0.68    17.25     -57.73      -1.00    -1.68     16
  20       C    -0.11     1.24     9.75     -39.25      -0.38     0.86     16
  21       C    -0.05     0.86     9.68     -39.63      -0.38     0.48     16
  22       C    -0.13     2.31     4.99     -26.92      -0.13     2.18     16
  23       C    -0.62     7.05     6.37      37.20       0.24     7.28     16
  24       S     2.43    -8.34     4.63    -107.50      -0.50    -8.84     16
  25       O    -0.92     0.70    18.04     -57.81      -1.04    -0.34     16
  26       O    -0.90    -2.75    16.16     -57.81      -0.93    -3.68     16
  27       H     0.11     1.14     6.79     -51.93      -0.35     0.78     16
  28       H     0.11     0.46     7.57     -51.93      -0.39     0.07     16
  29       H     0.07     0.24     8.09     -51.93      -0.42    -0.18     16
  30       H     0.07    -0.16     8.09     -51.93      -0.42    -0.58     16
  31       H     0.10    -0.02     7.97     -51.93      -0.41    -0.43     16
  32       H     0.11    -1.53     8.10     -51.93      -0.42    -1.95     16
  33       H     0.12    -1.55     8.07     -51.93      -0.42    -1.97     16
  34       H     0.16    -3.12     7.52     -51.93      -0.39    -3.51     16
  35       H     0.15    -3.79     8.05     -51.93      -0.42    -4.21     16
  36       H     0.15    -3.80     5.94     -51.93      -0.31    -4.11     16
  37       H     0.17    -3.57     8.06     -52.49      -0.42    -4.00     16
  38       H     0.18    -1.93     7.77     -52.49      -0.41    -2.34     16
  39       H     0.35    -0.29     8.90      45.56       0.41     0.11     16
  40       H     0.35    -0.32     8.90      45.56       0.41     0.08     16
  41       H     0.18    -1.84     7.77     -52.49      -0.41    -2.25     16
  42       H     0.17    -3.44     8.06     -52.48      -0.42    -3.86     16
  43       H     0.11    -2.28     5.81     -51.93      -0.30    -2.59     16
  44       H     0.11    -1.95     8.02     -51.93      -0.42    -2.37     16
  45       H     0.15    -1.91     8.12     -51.93      -0.42    -2.33     16
  46       H     0.15    -1.78     8.14     -51.92      -0.42    -2.21     16
 Total:          0.00   -60.86   384.94                 -9.74   -70.60