REAL300018579104.mol2 44                                                        
   1       O    -0.68   -16.28    17.25     -20.54      -0.35   -16.63     16
   2       C     0.51    10.60     8.01      34.52       0.28    10.88     16
   3       O    -0.68   -16.45    17.25     -20.53      -0.35   -16.80     16
   4       C    -0.11    -1.26     5.87    -105.00      -0.62    -1.88     16
   5       C    -0.08    -0.47     9.60     -39.15      -0.38    -0.85     16
   6       C    -0.14     0.30     9.25     -39.64      -0.37    -0.07     16
   7       C    -0.10     0.52     5.32    -104.51      -0.56    -0.04     16
   8       C    -0.12     1.54     2.04    -155.62      -0.32     1.22     16
   9       C     0.03    -0.65     5.21      -3.83      -0.02    -0.67     16
  10       N    -0.51    11.49     1.75    -115.07      -0.20    11.29     16
  11       H     0.44    -9.37     8.52     -39.29      -0.33    -9.70     16
  12       H     0.43   -10.51     8.26     -39.29      -0.32   -10.83     16
  13       C     0.05    -1.08     5.49      -4.97      -0.03    -1.11     16
  14       C    -0.16     2.92     5.36    -104.52      -0.56     2.36     16
  15       C    -0.05     0.72     9.68     -39.63      -0.38     0.34     16
  16       C    -0.10     1.02     9.75     -39.25      -0.38     0.64     16
  17       C     0.32    -2.20     9.80     -38.73      -0.38    -2.58     16
  18       O    -0.64    -1.46    17.25     -57.73      -1.00    -2.45     16
  19       O    -0.63    -1.71    17.25     -57.73      -1.00    -2.71     16
  20       C    -0.11     1.17     9.75     -39.25      -0.38     0.78     16
  21       C    -0.05     0.88     9.68     -39.63      -0.38     0.49     16
  22       C    -0.17     2.16     9.24     -26.73      -0.25     1.92     16
  23       C    -0.13     1.36     9.89     -26.69      -0.26     1.10     16
  24       C    -0.13     0.09     9.37     -39.64      -0.37    -0.28     16
  25       C    -0.08    -0.54     9.60     -39.14      -0.38    -0.91     16
  26       H     0.13     1.00     7.65     -52.49      -0.40     0.60     16
  27       H     0.11    -0.75     6.75     -52.48      -0.35    -1.11     16
  28       H     0.13    -2.94     7.95     -51.93      -0.41    -3.35     16
  29       H     0.14    -2.67     6.42     -51.93      -0.33    -3.01     16
  30       H     0.15    -3.64     8.08     -51.93      -0.42    -4.06     16
  31       H     0.15    -3.46     8.05     -51.93      -0.42    -3.87     16
  32       H     0.17    -2.95     8.06     -52.49      -0.42    -3.37     16
  33       H     0.18    -1.46     7.77     -52.49      -0.41    -1.86     16
  34       H     0.34     0.08     8.90      45.56       0.41     0.49     16
  35       H     0.35     0.18     8.90      45.56       0.41     0.58     16
  36       H     0.18    -1.73     7.77     -52.49      -0.41    -2.14     16
  37       H     0.17    -3.39     8.06     -52.49      -0.42    -3.81     16
  38       H     0.10    -1.62     8.01     -51.93      -0.42    -2.04     16
  39       H     0.12    -1.14     6.11     -51.93      -0.32    -1.46     16
  40       H     0.11    -1.34     8.08     -51.93      -0.42    -1.76     16
  41       H     0.11    -0.78     8.14     -51.93      -0.42    -1.20     16
  42       H     0.12    -0.43     5.95     -52.48      -0.31    -0.74     16
  43       H     0.13     1.17     7.65     -52.49      -0.40     0.77     16
 Total:          0.00   -53.06   368.72                 -9.22   -62.28