REAL300018078868.mol2 43                                                        
   1       C    -0.12     0.07     9.60      36.00       0.35     0.42     16
   2       C    -0.08    -0.12     5.88    -104.63      -0.62    -0.73     16
   3       C    -0.11    -0.11     9.70     -39.58      -0.38    -0.50     16
   4       C    -0.12    -0.12     9.30     -39.58      -0.37    -0.49     16
   5       C    -0.10    -0.22     4.82    -104.62      -0.50    -0.73     16
   6       C     0.00     0.01     2.45     -70.02      -0.17    -0.16     16
   7       N    -0.47     1.89     1.00    -110.46      -0.11     1.78     16
   8       H     0.42    -2.28     6.63     -39.29      -0.26    -2.54     16
   9       H     0.42    -2.25     6.56     -39.30      -0.26    -2.51     16
  10       C     0.05    -0.21     4.24      -4.98      -0.02    -0.23     16
  11       C    -0.13     0.85     5.38    -104.29      -0.56     0.29     16
  12       C    -0.05     0.45     9.66     -39.63      -0.38     0.06     16
  13       C    -0.10     1.03    10.04     -39.48      -0.40     0.64     16
  14       C    -0.05     0.49    10.03     -39.63      -0.40     0.09     16
  15       C    -0.11     0.78     9.76     -39.25      -0.38     0.40     16
  16       C     0.32    -1.59     9.69     -38.72      -0.38    -1.97     16
  17       O    -0.72     0.66    12.18     -57.73      -0.70    -0.05     16
  18       O    -0.61    -1.17    17.29     -57.73      -1.00    -2.16     16
  19       C     0.50     4.83     6.52      36.00       0.23     5.07     16
  20       O    -0.63   -10.00    18.00     -20.23      -0.36   -10.37     16
  21       O    -0.67    -7.19    15.77     -20.23      -0.32    -7.51     16
  22       C    -0.08    -0.24     9.33     -39.58      -0.37    -0.61     16
  23       C    -0.08    -0.17     5.88    -104.63      -0.62    -0.78     16
  24       C    -0.12    -0.02     9.60      36.01       0.35     0.32     16
  25       H     0.07    -0.04     8.14     -51.92      -0.42    -0.47     16
  26       H     0.07    -0.11     8.09     -51.93      -0.42    -0.53     16
  27       H     0.07    -0.10     5.95     -51.93      -0.31    -0.41     16
  28       H     0.13    -0.13     8.06     -52.49      -0.42    -0.55     16
  29       H     0.12    -0.20     6.77     -52.48      -0.36    -0.56     16
  30       H     0.14     0.20     7.86     -51.93      -0.41    -0.21     16
  31       H     0.15    -0.44     6.44     -51.93      -0.33    -0.77     16
  32       H     0.16    -0.45     6.00     -51.93      -0.31    -0.76     16
  33       H     0.18    -1.76     8.04     -52.49      -0.42    -2.18     16
  34       H     0.17    -1.98     8.06     -52.48      -0.42    -2.40     16
  35       H     0.17    -2.07     8.06     -52.48      -0.42    -2.49     16
  36       H     0.18    -1.19     7.81     -52.49      -0.41    -1.60     16
  37       H     0.34    -0.44     8.91      45.56       0.41    -0.03     16
  38       H     0.35    -0.07     8.91      45.56       0.41     0.34     16
  39       H     0.13     0.30     8.04     -52.49      -0.42    -0.12     16
  40       H     0.08     0.03     8.14     -51.93      -0.42    -0.39     16
  41       H     0.07    -0.08     5.95     -51.93      -0.31    -0.39     16
  42       H     0.07    -0.03     8.08     -51.93      -0.42    -0.45     16
 Total:          0.00   -23.19   346.61                 -7.83   -31.02