COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.001   1.069   0.153  1.00  0.00           C  
HETATM    2  C   UNL     1       3.919  -0.093   1.062  1.00  0.00           C  
HETATM    3  C   UNL     1       4.520  -1.393   0.564  1.00  0.00           C  
HETATM    4  C   UNL     1       5.903  -1.092  -0.023  1.00  0.00           C  
HETATM    5  C   UNL     1       5.776  -0.059  -1.144  1.00  0.00           C  
HETATM    6  C   UNL     1       5.319   1.283  -0.565  1.00  0.00           C  
HETATM    7  C   UNL     1       2.953   1.897  -0.032  1.00  0.00           C  
HETATM    8  C   UNL     1       1.693   1.654   0.675  1.00  0.00           C  
HETATM    9  C   UNL     1       0.657   2.472   0.492  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.656   2.273   1.189  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.712   2.134   0.055  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.798   3.465  -0.655  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.468   3.682  -1.396  1.00  0.00           C  
HETATM   14  C   UNL     1       0.724   3.678  -0.434  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.845   0.951   1.936  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.391   0.798   1.978  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.944   1.625   0.788  1.00  0.00           C  
HETATM   18  C   UNL     1       3.345  -0.004   2.261  1.00  0.00           C  
HETATM   19  O   UNL     1       7.044   0.106  -1.783  1.00  0.00           O  
HETATM   20  O   UNL     1       3.680  -1.955  -0.446  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.782   0.737  -0.134  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.930   0.115   0.663  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.249   1.062  -0.934  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.351   1.581  -1.276  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.693  -0.869  -0.226  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.842  -1.491   0.571  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.605  -2.474  -0.318  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.750  -3.566  -0.664  1.00  0.00           O  
HETATM   29  C   UNL     1      -8.826  -3.003   0.437  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.062  -1.762  -1.593  1.00  0.00           C  
HETATM   31  C   UNL     1       6.509  -2.380  -0.584  1.00  0.00           C  
HETATM   32  C   UNL     1       6.760  -3.365   0.559  1.00  0.00           C  
HETATM   33  C   UNL     1       7.366  -4.653  -0.001  1.00  0.00           C  
HETATM   34  H   UNL     1       4.618  -2.094   1.393  1.00  0.00           H  
HETATM   35  H   UNL     1       6.551  -0.698   0.760  1.00  0.00           H  
HETATM   36  H   UNL     1       5.046  -0.406  -1.875  1.00  0.00           H  
HETATM   37  H   UNL     1       5.185   2.004  -1.371  1.00  0.00           H  
HETATM   38  H   UNL     1       6.065   1.652   0.139  1.00  0.00           H  
HETATM   39  H   UNL     1       3.041   2.739  -0.702  1.00  0.00           H  
HETATM   40  H   UNL     1       1.605   0.812   1.346  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.885   3.124   1.830  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.621   3.451  -1.369  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.951   4.263   0.072  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.337   2.888  -2.131  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.502   4.641  -1.913  1.00  0.00           H  
HETATM   46  H   UNL     1       0.711   4.590   0.163  1.00  0.00           H  
HETATM   47  H   UNL     1       1.650   3.639  -1.008  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.389   0.128   1.386  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.436   1.016   2.945  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.667  -0.251   1.864  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.781   1.188   2.918  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.539   2.462   1.153  1.00  0.00           H  
HETATM   53  H   UNL     1       2.926   0.936   2.590  1.00  0.00           H  
HETATM   54  H   UNL     1       3.300  -0.870   2.905  1.00  0.00           H  
HETATM   55  H   UNL     1       7.039   0.748  -2.506  1.00  0.00           H  
HETATM   56  H   UNL     1       2.783  -2.155  -0.146  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.154  -0.054  -0.545  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.528  -0.413   1.528  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.607   0.901   0.999  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.256   0.089  -0.444  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.923   1.043  -1.790  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.239   1.292  -1.272  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.533   1.988  -1.870  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.984   0.958  -1.908  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.942   2.399  -0.863  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.095  -0.341  -1.091  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.017  -1.655  -0.562  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.440  -2.019   1.435  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.518  -0.705   0.907  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.169  -4.231  -1.228  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.479  -2.170   0.700  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.370  -3.704  -0.197  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.501  -3.510   1.345  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.192  -1.386  -2.131  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.606  -2.463  -2.226  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.714  -0.929  -1.329  1.00  0.00           H  
HETATM   77  H   UNL     1       5.819  -2.824  -1.301  1.00  0.00           H  
HETATM   78  H   UNL     1       7.452  -2.151  -1.080  1.00  0.00           H  
HETATM   79  H   UNL     1       7.450  -2.921   1.277  1.00  0.00           H  
HETATM   80  H   UNL     1       5.816  -3.593   1.056  1.00  0.00           H  
HETATM   81  H   UNL     1       7.544  -5.355   0.813  1.00  0.00           H  
HETATM   82  H   UNL     1       6.675  -5.097  -0.719  1.00  0.00           H  
HETATM   83  H   UNL     1       8.309  -4.425  -0.498  1.00  0.00           H  
CONECT    1    2    6    7    7                                       
CONECT    2    1    3   18   18                                       
CONECT    3    2    4   20   34                                       
CONECT    4    3    5   31   35                                       
CONECT    5    4    6   19   36                                       
CONECT    6    1    5   37   38                                       
CONECT    7    1    1    8   39                                       
CONECT    8    7    9    9   40                                       
CONECT    9    8    8   10   14                                       
CONECT   10    9   11   15   41                                       
CONECT   11   10   12   17   23                                       
CONECT   12   11   13   42   43                                       
CONECT   13   12   14   44   45                                       
CONECT   14    9   13   46   47                                       
CONECT   15   10   16   48   49                                       
CONECT   16   15   17   50   51                                       
CONECT   17   11   16   21   52                                       
CONECT   18    2    2   53   54                                       
CONECT   19    5   55                                                 
CONECT   20    3   56                                                 
CONECT   21   17   22   24   57                                       
CONECT   22   21   25   58   59                                       
CONECT   23   11   60   61   62                                       
CONECT   24   21   63   64   65                                       
CONECT   25   22   26   66   67                                       
CONECT   26   25   27   68   69                                       
CONECT   27   26   28   29   30                                       
CONECT   28   27   70                                                 
CONECT   29   27   71   72   73                                       
CONECT   30   27   74   75   76                                       
CONECT   31    4   32   77   78                                       
CONECT   32   31   33   79   80                                       
CONECT   33   32   81   82   83                                       
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
