COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.434  -0.435  -2.048  1.00  0.00           C  
HETATM    2  C   UNL     1       4.509   0.498   0.859  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.373   3.107  -2.474  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.721   3.175  -1.815  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.792   4.031  -2.422  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.964   2.508  -0.736  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.913  -0.131   0.756  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.363  -1.194   1.901  1.00  0.00           C  
HETATM    9  C   UNL     1       0.233   1.749  -2.233  1.00  0.00           C  
HETATM   10  C   UNL     1       0.195  -0.948   0.356  1.00  0.00           C  
HETATM   11  C   UNL     1       1.069  -0.364   1.477  1.00  0.00           C  
HETATM   12  C   UNL     1       0.578   0.256   2.760  1.00  0.00           C  
HETATM   13  C   UNL     1       2.331  -0.547   1.160  1.00  0.00           C  
HETATM   14  C   UNL     1       6.769   1.213   0.772  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.258  -3.936  -0.962  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.723  -4.726  -2.158  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.348  -2.253   1.292  1.00  0.00           O  
HETATM   18  C   UNL     1      -7.928  -1.203   1.441  1.00  0.00           C  
HETATM   19  O   UNL     1      -7.294  -0.046   1.196  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.362   1.278   0.529  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.907   1.189   0.065  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.356   2.598  -0.162  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.310   3.348   1.171  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.978   1.655  -0.008  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.683   2.342   1.221  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.463   0.650  -2.859  1.00  0.00           O  
HETATM   27  C   UNL     1       0.337   1.396  -0.732  1.00  0.00           C  
HETATM   28  C   UNL     1       0.502  -0.131  -0.910  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.045  -1.459  -2.214  1.00  0.00           O  
HETATM   30  C   UNL     1       1.965  -0.466  -1.274  1.00  0.00           C  
HETATM   31  C   UNL     1       1.057  -2.248   0.079  1.00  0.00           C  
HETATM   32  O   UNL     1       0.657  -2.966  -1.113  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.709  -4.176   0.133  1.00  0.00           O  
HETATM   34  C   UNL     1       2.359  -1.415  -0.127  1.00  0.00           C  
HETATM   35  C   UNL     1       3.589  -2.223  -0.292  1.00  0.00           C  
HETATM   36  C   UNL     1       4.827  -1.426  -0.683  1.00  0.00           C  
HETATM   37  C   UNL     1       3.849  -3.089   0.934  1.00  0.00           C  
HETATM   38  C   UNL     1       3.554  -0.073   1.891  1.00  0.00           C  
HETATM   39  C   UNL     1       5.457  -0.615   0.380  1.00  0.00           C  
HETATM   40  C   UNL     1       5.460   1.542   1.378  1.00  0.00           C  
HETATM   41  C   UNL     1       5.190   2.554   2.200  1.00  0.00           C  
HETATM   42  O   UNL     1       7.773   1.891   0.894  1.00  0.00           O  
HETATM   43  O   UNL     1       6.689   0.068   0.057  1.00  0.00           O  
HETATM   44  H   UNL     1       3.946   0.898   0.014  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.490   3.258  -3.541  1.00  0.00           H  
HETATM   46  H   UNL     1       0.274   3.864  -2.049  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.406   4.515  -3.319  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.649   3.410  -2.684  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.100   4.791  -1.703  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.319  -0.635   1.518  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.862  -0.695  -0.175  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.704  -2.219   2.047  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.439  -0.648   2.842  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.983  -0.708   1.148  1.00  0.00           H  
HETATM   55  H   UNL     1       1.241   1.770  -2.631  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.857  -1.114   0.598  1.00  0.00           H  
HETATM   57  H   UNL     1       0.490  -0.515   3.525  1.00  0.00           H  
HETATM   58  H   UNL     1       1.286   1.017   3.090  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.396   0.715   2.592  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.209  -4.370  -3.051  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.498  -5.782  -2.006  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.798  -4.598  -2.283  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.956   1.782  -0.233  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.412   1.842   1.461  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.313   0.685   0.828  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.856   0.625  -0.866  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.002   3.133  -0.858  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.631   4.196   1.087  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.309   3.707   1.421  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.959   2.677   1.954  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.455   0.708   0.239  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.413   2.344   1.855  1.00  0.00           H  
HETATM   73  H   UNL     1       1.197   1.870  -0.249  1.00  0.00           H  
HETATM   74  H   UNL     1       2.020  -0.975  -2.236  1.00  0.00           H  
HETATM   75  H   UNL     1       2.582   0.431  -1.271  1.00  0.00           H  
HETATM   76  H   UNL     1       1.107  -2.898   0.954  1.00  0.00           H  
HETATM   77  H   UNL     1       3.386  -2.923  -1.131  1.00  0.00           H  
HETATM   78  H   UNL     1       5.582  -2.123  -1.066  1.00  0.00           H  
HETATM   79  H   UNL     1       4.566  -0.756  -1.510  1.00  0.00           H  
HETATM   80  H   UNL     1       3.007  -3.764   1.087  1.00  0.00           H  
HETATM   81  H   UNL     1       4.758  -3.670   0.783  1.00  0.00           H  
HETATM   82  H   UNL     1       3.967  -2.451   1.811  1.00  0.00           H  
HETATM   83  H   UNL     1       4.023  -0.889   2.434  1.00  0.00           H  
HETATM   84  H   UNL     1       3.277   0.710   2.601  1.00  0.00           H  
HETATM   85  H   UNL     1       5.672  -1.259   1.235  1.00  0.00           H  
HETATM   86  H   UNL     1       4.186   2.695   2.572  1.00  0.00           H  
HETATM   87  H   UNL     1       5.975   3.235   2.494  1.00  0.00           H  
CONECT    1   26   29   29   28                                       
CONECT    2   38   39   40   44                                       
CONECT    3    9    4   45   46                                       
CONECT    4    3    5    6    6                                       
CONECT    5    4   47   48   49                                       
CONECT    6    4    4   24   22                                       
CONECT    7   19   20   50   51                                       
CONECT    8   18   52   53   54                                       
CONECT    9    3   26   27   55                                       
CONECT   10   28   31   11   56                                       
CONECT   11   10   13   13   12                                       
CONECT   12   11   57   58   59                                       
CONECT   13   34   38   11   11                                       
CONECT   14   43   40   42   42                                       
CONECT   15   33   33   32   16                                       
CONECT   16   15   60   61   62                                       
CONECT   17   18   18                                                 
CONECT   18    8   17   17   19                                       
CONECT   19   18    7                                                 
CONECT   20    7   21   63   64                                       
CONECT   21   20   22   65   66                                       
CONECT   22    6   21   23   67                                       
CONECT   23   22   68   69   70                                       
CONECT   24   27    6   25   71                                       
CONECT   25   24   72                                                 
CONECT   26    9    1                                                 
CONECT   27    9   28   24   73                                       
CONECT   28    1   30   27   10                                       
CONECT   29    1    1                                                 
CONECT   30   28   34   74   75                                       
CONECT   31   34   32   10   76                                       
CONECT   32   15   31                                                 
CONECT   33   15   15                                                 
CONECT   34   30   35   31   13                                       
CONECT   35   37   34   36   77                                       
CONECT   36   35   39   78   79                                       
CONECT   37   35   80   81   82                                       
CONECT   38   13    2   83   84                                       
CONECT   39   36    2   43   85                                       
CONECT   40    2   14   41   41                                       
CONECT   41   40   40   86   87                                       
CONECT   42   14   14                                                 
CONECT   43   39   14                                                 
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
