REAL300018592414.mol2 44                                                        
   1       C    -0.15     0.40    10.28      37.16       0.38     0.78     16
   2       C     0.05    -0.10     5.46      37.16       0.20     0.10     16
   3       O    -0.31    -0.20    10.14     -19.41      -0.20    -0.40     16
   4       C     0.15     0.01     6.69     -39.21      -0.26    -0.25     16
   5       C    -0.20     0.31     9.04     -39.43      -0.36    -0.05     16
   6       C    -0.07     0.20     9.29     -39.61      -0.37    -0.16     16
   7       C    -0.15     0.36     4.83    -104.60      -0.51    -0.14     16
   8       C     0.00     0.00     2.52     -70.02      -0.18    -0.17     16
   9       N    -0.48     5.29     1.28    -110.45      -0.14     5.15     16
  10       H     0.41    -6.37     8.59     -39.29      -0.34    -6.71     16
  11       H     0.43    -4.54     6.47     -39.29      -0.25    -4.79     16
  12       C     0.05    -0.52     5.21      -4.97      -0.03    -0.54     16
  13       C    -0.14     1.56     5.36    -104.52      -0.56     1.00     16
  14       C    -0.05     0.60     9.68     -39.63      -0.38     0.21     16
  15       C    -0.11     0.74     9.75     -39.25      -0.38     0.36     16
  16       C     0.33    -1.04     9.80     -38.73      -0.38    -1.42     16
  17       O    -0.65    -3.40    17.25     -57.73      -1.00    -4.40     16
  18       O    -0.65    -3.27    17.25     -57.73      -1.00    -4.27     16
  19       C    -0.11     0.61     9.75     -39.25      -0.38     0.22     16
  20       C    -0.04     0.40     9.68     -39.63      -0.38     0.02     16
  21       C     0.50     2.81     6.08      36.00       0.22     3.02     16
  22       O    -0.63    -7.72    18.00     -20.22      -0.36    -8.09     16
  23       O    -0.67    -5.25    16.46     -20.23      -0.33    -5.58     16
  24       C    -0.05     0.07     9.66     -39.61      -0.38    -0.32     16
  25       C    -0.15     0.06     9.99     -39.43      -0.39    -0.34     16
  26       H     0.07    -0.13     8.14     -51.93      -0.42    -0.55     16
  27       H     0.08    -0.32     8.14     -51.93      -0.42    -0.75     16
  28       H     0.07    -0.16     8.14     -51.93      -0.42    -0.58     16
  29       H     0.07    -0.16     7.68     -51.93      -0.40    -0.56     16
  30       H     0.06    -0.22     7.65     -51.93      -0.40    -0.62     16
  31       H     0.13    -0.42     6.30     -52.49      -0.33    -0.75     16
  32       H     0.12    -0.67     6.73     -52.48      -0.35    -1.02     16
  33       H     0.14    -0.86     7.95     -51.93      -0.41    -1.27     16
  34       H     0.15    -1.18     6.67     -51.93      -0.35    -1.53     16
  35       H     0.14    -1.93     8.05     -51.93      -0.42    -2.35     16
  36       H     0.17    -2.46     8.06     -52.49      -0.42    -2.88     16
  37       H     0.18    -1.10     7.77     -52.49      -0.41    -1.51     16
  38       H     0.34     0.99     8.90      45.56       0.41     1.40     16
  39       H     0.34     0.95     8.90      45.56       0.41     1.35     16
  40       H     0.18    -0.86     7.77     -52.49      -0.41    -1.27     16
  41       H     0.18    -1.73     8.06     -52.49      -0.42    -2.16     16
  42       H     0.14    -0.40     8.04     -52.48      -0.42    -0.82     16
  43       H     0.14    -0.17     8.06     -52.49      -0.42    -0.59     16
 Total:          0.00   -29.85   369.53                 -7.81   -37.66