REAL300018448839.mol2 47                                                        
   1       O    -0.66   -15.27    18.00     -20.23      -0.36   -15.63     16
   2       C     0.49     9.21     7.38      36.01       0.27     9.47     16
   3       O    -0.65   -14.55    17.18     -20.22      -0.35   -14.89     16
   4       C    -0.15    -1.19     3.86     -90.86      -0.35    -1.55     16
   5       C    -0.09    -0.22     6.52     -26.13      -0.17    -0.39     16
   6       C    -0.56     1.08     0.92     -90.52      -0.08     1.00     16
   7       C    -0.08    -0.33     6.79     -26.14      -0.18    -0.51     16
   8       C    -0.10     0.98     4.41     -27.02      -0.12     0.86     16
   9       C     0.01    -0.18     2.02     -68.07      -0.14    -0.32     16
  10       N    -0.49     8.68     1.41    -108.37      -0.15     8.53     16
  11       H     0.44    -7.19     6.96     -39.29      -0.27    -7.46     16
  12       H     0.42    -9.05     8.59     -39.29      -0.34    -9.39     16
  13       C     0.04    -0.65     4.37      -4.97      -0.02    -0.67     16
  14       C    -0.14     2.11     5.38    -104.29      -0.56     1.55     16
  15       C    -0.06     1.03     9.66     -39.63      -0.38     0.64     16
  16       C    -0.11     1.64    10.04     -39.49      -0.40     1.24     16
  17       C    -0.05     0.61    10.03     -39.63      -0.40     0.22     16
  18       C    -0.11     1.21     9.75     -39.25      -0.38     0.83     16
  19       C     0.30    -3.15     9.76     -38.73      -0.38    -3.52     16
  20       O    -0.60     0.53    17.25     -57.73      -1.00    -0.46     16
  21       O    -0.75     4.60    12.39     -57.73      -0.71     3.88     16
  22       C    -0.13     1.79     5.00     -26.92      -0.13     1.65     16
  23       C    -0.62     5.21     6.37      37.20       0.24     5.45     16
  24       S     2.42    -2.94     4.72    -107.50      -0.51    -3.45     16
  25       O    -0.90    -4.84    17.25     -57.80      -1.00    -5.84     16
  26       O    -0.93    -0.93    18.04     -57.80      -1.04    -1.97     16
  27       H     0.09     0.52     7.65     -51.93      -0.40     0.12     16
  28       H     0.12     0.75     6.86     -51.93      -0.36     0.39     16
  29       H     0.08    -0.15     7.10     -51.93      -0.37    -0.52     16
  30       H     0.09     0.13     8.09     -51.93      -0.42    -0.29     16
  31       H     0.11     0.81     7.96     -51.93      -0.41     0.40     16
  32       H     0.11    -1.09     7.29     -51.93      -0.38    -1.46     16
  33       H     0.11    -1.25     8.10     -51.93      -0.42    -1.68     16
  34       H     0.16    -2.04     6.85     -51.93      -0.36    -2.40     16
  35       H     0.14    -2.79     5.86     -51.93      -0.30    -3.10     16
  36       H     0.18    -2.34     5.72     -51.93      -0.30    -2.64     16
  37       H     0.17    -3.34     8.04     -52.48      -0.42    -3.76     16
  38       H     0.16    -2.70     8.06     -52.49      -0.42    -3.13     16
  39       H     0.17    -2.56     8.06     -52.49      -0.42    -2.99     16
  40       H     0.18    -1.69     7.77     -52.49      -0.41    -2.10     16
  41       H     0.35    -0.82     8.90      45.56       0.41    -0.41     16
  42       H     0.34    -1.55     8.90      45.56       0.41    -1.15     16
  43       H     0.11    -1.59     8.02     -51.93      -0.42    -2.01     16
  44       H     0.11    -1.81     5.82     -51.93      -0.30    -2.11     16
  45       H     0.15    -1.39     8.12     -51.93      -0.42    -1.81     16
  46       H     0.15    -1.39     8.14     -51.93      -0.42    -1.81     16
 Total:          0.00   -48.13   375.37                 -9.41   -57.53