REAL300018336322.mol2 42                                                        
   1       C    -0.12    -2.68     8.67      37.16       0.32    -2.36     16
   2       C    -0.15    -3.84     2.79     -91.77      -0.26    -4.09     16
   3       C    -0.05    -1.11     4.18     -27.88      -0.12    -1.23     16
   4       C    -0.11    -1.83     4.72    -104.59      -0.49    -2.32     16
   5       C    -0.08    -1.13     9.69     -39.61      -0.38    -1.52     16
   6       C    -0.19    -2.26     9.90     -39.38      -0.39    -2.65     16
   7       C     0.19     2.02     6.65     -83.79      -0.56     1.46     16
   8       N    -0.75    -4.90     5.72     -59.81      -0.34    -5.24     16
   9       C     0.17     0.66     5.03      -5.20      -0.03     0.63     16
  10       C    -0.09    -0.24     5.25    -104.53      -0.55    -0.79     16
  11       C    -0.06    -0.13     9.68     -39.63      -0.38    -0.52     16
  12       C    -0.11    -0.50     9.75     -39.25      -0.38    -0.88     16
  13       C     0.33     2.39     9.80     -38.72      -0.38     2.01     16
  14       O    -0.67    -9.62    17.25     -57.73      -1.00   -10.61     16
  15       O    -0.67    -9.63    17.25     -57.73      -1.00   -10.63     16
  16       C    -0.11    -0.51     9.75     -39.25      -0.38    -0.90     16
  17       C    -0.06    -0.14     9.68     -39.63      -0.38    -0.53     16
  18       C    -0.19    -2.22     9.31     -39.38      -0.37    -2.59     16
  19       C    -0.07    -1.06     7.95     -39.61      -0.31    -1.38     16
  20       C     0.49    16.41     7.39      36.00       0.27    16.68     16
  21       O    -0.70   -24.92    16.82     -20.23      -0.34   -25.26     16
  22       O    -0.70   -25.70    17.83     -20.23      -0.36   -26.06     16
  23       H     0.05     1.20     8.09     -51.93      -0.42     0.78     16
  24       H     0.04     0.77     6.27     -51.93      -0.33     0.45     16
  25       H     0.04     0.93     8.14     -51.93      -0.42     0.51     16
  26       H     0.06     1.48     8.14     -51.93      -0.42     1.06     16
  27       H     0.06     1.44     8.08     -51.92      -0.42     1.02     16
  28       H     0.07     1.56     7.90     -51.93      -0.41     1.15     16
  29       H     0.12     1.77     8.06     -52.49      -0.42     1.35     16
  30       H     0.11     1.14     8.06     -52.49      -0.42     0.71     16
  31       H     0.40     2.14     8.48     -40.82      -0.35     1.80     16
  32       H     0.08     0.29     7.88     -51.93      -0.41    -0.12     16
  33       H     0.08     0.27     7.90     -51.93      -0.41    -0.14     16
  34       H     0.17     0.07     8.06     -52.48      -0.42    -0.35     16
  35       H     0.17     0.81     7.77     -52.49      -0.41     0.40     16
  36       H     0.33     3.87     8.90      45.56       0.41     4.28     16
  37       H     0.33     3.88     8.90      45.56       0.41     4.29     16
  38       H     0.17     0.84     7.77     -52.49      -0.41     0.43     16
  39       H     0.17     0.12     8.06     -52.48      -0.42    -0.30     16
  40       H     0.11     1.02     6.73     -52.48      -0.35     0.67     16
  41       H     0.12     1.68     8.04     -52.48      -0.42     1.26     16
 Total:         -1.00   -45.67   356.30                 -8.50   -54.17