REAL300018078869.mol2 43                                                        
   1       C    -0.12     0.30     9.60      36.00       0.35     0.65     16
   2       C    -0.07     0.07     5.88    -104.63      -0.62    -0.55     16
   3       C    -0.11     0.17     9.70     -39.58      -0.38    -0.22     16
   4       C    -0.12     0.28     9.30     -39.58      -0.37    -0.09     16
   5       C    -0.11     0.22     4.83    -104.62      -0.51    -0.29     16
   6       C     0.00     0.02     2.52     -70.02      -0.18    -0.16     16
   7       N    -0.48     5.10     1.28    -110.46      -0.14     4.96     16
   8       H     0.43    -4.38     6.48     -39.29      -0.25    -4.64     16
   9       H     0.41    -6.21     8.59     -39.29      -0.34    -6.54     16
  10       C     0.05    -0.51     5.21      -4.98      -0.03    -0.53     16
  11       C    -0.14     1.53     5.36    -104.53      -0.56     0.97     16
  12       C    -0.04     0.39     9.68     -39.63      -0.38     0.01     16
  13       C    -0.11     0.59     9.75     -39.25      -0.38     0.21     16
  14       C     0.33    -0.99     9.80     -38.72      -0.38    -1.37     16
  15       O    -0.65    -3.46    17.25     -57.73      -1.00    -4.46     16
  16       O    -0.65    -3.33    17.25     -57.73      -1.00    -4.33     16
  17       C    -0.11     0.72     9.75     -39.25      -0.38     0.34     16
  18       C    -0.05     0.59     9.68     -39.63      -0.38     0.21     16
  19       C     0.50     2.98     6.08      36.00       0.22     3.20     16
  20       O    -0.66    -5.44    16.46     -20.23      -0.33    -5.77     16
  21       O    -0.63    -7.91    18.00     -20.24      -0.36    -8.28     16
  22       C    -0.09     0.08     9.33     -39.58      -0.37    -0.29     16
  23       C    -0.08     0.06     5.88    -104.62      -0.62    -0.56     16
  24       C    -0.12     0.26     9.60      36.00       0.35     0.61     16
  25       H     0.08    -0.17     8.14     -51.93      -0.42    -0.59     16
  26       H     0.07    -0.23     8.09     -51.93      -0.42    -0.65     16
  27       H     0.07    -0.24     5.95     -51.93      -0.31    -0.55     16
  28       H     0.13    -0.39     8.06     -52.49      -0.42    -0.82     16
  29       H     0.12    -0.57     6.75     -52.49      -0.35    -0.93     16
  30       H     0.14    -0.78     7.95     -51.93      -0.41    -1.20     16
  31       H     0.14    -1.89     8.05     -51.93      -0.42    -2.30     16
  32       H     0.15    -1.14     6.67     -51.93      -0.35    -1.49     16
  33       H     0.18    -1.70     8.06     -52.49      -0.42    -2.12     16
  34       H     0.18    -0.84     7.77     -52.49      -0.41    -1.25     16
  35       H     0.34     1.02     8.90      45.56       0.41     1.43     16
  36       H     0.34     0.97     8.90      45.56       0.41     1.38     16
  37       H     0.18    -1.08     7.77     -52.49      -0.41    -1.49     16
  38       H     0.17    -2.43     8.06     -52.48      -0.42    -2.85     16
  39       H     0.13    -0.23     8.04     -52.48      -0.42    -0.66     16
  40       H     0.08    -0.13     8.14     -51.93      -0.42    -0.55     16
  41       H     0.07    -0.23     5.95     -51.93      -0.31    -0.54     16
  42       H     0.07    -0.21     8.09     -51.93      -0.42    -0.63     16
 Total:          0.00   -29.16   356.62                 -8.20   -37.36