COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.406  -0.208   2.073  1.00  0.00           C  
HETATM    2  C   UNL     1       1.185  -0.728   1.293  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.225  -1.888  -0.449  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.619   0.277  -1.776  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.739  -1.689  -0.362  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.928   1.270  -0.332  1.00  0.00           C  
HETATM    7  C   UNL     1       8.995  -0.715  -2.082  1.00  0.00           C  
HETATM    8  C   UNL     1       7.523  -0.389  -1.825  1.00  0.00           C  
HETATM    9  C   UNL     1       6.662  -1.601  -2.186  1.00  0.00           C  
HETATM   10  C   UNL     1       7.327  -0.047  -0.346  1.00  0.00           C  
HETATM   11  C   UNL     1       5.433  -0.995   0.841  1.00  0.00           C  
HETATM   12  C   UNL     1       3.938  -0.899   1.003  1.00  0.00           C  
HETATM   13  C   UNL     1       3.105  -1.506   0.077  1.00  0.00           C  
HETATM   14  C   UNL     1       1.736  -1.424   0.215  1.00  0.00           C  
HETATM   15  C   UNL     1       2.031  -0.116   2.228  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.280  -0.638   1.446  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.544  -1.139   0.698  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.718  -1.342  -1.788  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.101   0.136  -1.904  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.403  -0.030  -0.274  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.523  -0.820   0.180  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.307   1.452  -0.117  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.374   2.601  -0.574  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.397   3.468  -0.494  1.00  0.00           C  
HETATM   25  C   UNL     1       6.338   1.258   0.895  1.00  0.00           C  
HETATM   26  C   UNL     1       7.536   1.428  -0.030  1.00  0.00           C  
HETATM   27  C   UNL     1       7.568   2.493  -1.124  1.00  0.00           C  
HETATM   28  C   UNL     1       9.099   2.486  -0.961  1.00  0.00           C  
HETATM   29  C   UNL     1       8.874   1.966   0.471  1.00  0.00           C  
HETATM   30  N   UNL     1       5.912   0.136   0.034  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.090  -1.228   0.545  1.00  0.00           N  
HETATM   32  N   UNL     1      -5.054  -0.259  -0.478  1.00  0.00           N  
HETATM   33  N   UNL     1      -7.234  -1.035  -0.016  1.00  0.00           N  
HETATM   34  N   UNL     1      -9.058   0.381   0.134  1.00  0.00           N  
HETATM   35  N   UNL     1      -8.559   2.792  -0.227  1.00  0.00           N  
HETATM   36  O   UNL     1       1.507   0.558   3.282  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.920  -3.281  -0.356  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.756  -0.031   2.386  1.00  0.00           O  
HETATM   39  H   UNL     1       4.062   0.259   2.793  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.893   1.329  -1.844  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.105  -0.278  -2.579  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.225  -2.234  -1.172  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.100  -2.064   0.596  1.00  0.00           H  
HETATM   44  H   UNL     1       9.259  -1.638  -1.567  1.00  0.00           H  
HETATM   45  H   UNL     1       9.159  -0.837  -3.153  1.00  0.00           H  
HETATM   46  H   UNL     1       9.618   0.099  -1.711  1.00  0.00           H  
HETATM   47  H   UNL     1       7.227   0.463  -2.437  1.00  0.00           H  
HETATM   48  H   UNL     1       6.891  -2.425  -1.510  1.00  0.00           H  
HETATM   49  H   UNL     1       5.608  -1.338  -2.094  1.00  0.00           H  
HETATM   50  H   UNL     1       6.872  -1.903  -3.212  1.00  0.00           H  
HETATM   51  H   UNL     1       7.873  -0.717   0.318  1.00  0.00           H  
HETATM   52  H   UNL     1       5.907  -0.967   1.822  1.00  0.00           H  
HETATM   53  H   UNL     1       5.685  -1.930   0.342  1.00  0.00           H  
HETATM   54  H   UNL     1       3.530  -2.044  -0.757  1.00  0.00           H  
HETATM   55  H   UNL     1       1.091  -1.899  -0.510  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.848  -0.092   0.679  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.838  -1.585   1.648  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.634  -1.443  -1.835  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.173  -1.903  -2.605  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.780   0.519  -2.873  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.614   0.701  -1.110  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.163  -1.665   0.386  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.341   2.842  -0.776  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.317   4.537  -0.625  1.00  0.00           H  
HETATM   65  H   UNL     1       6.608   0.952   1.906  1.00  0.00           H  
HETATM   66  H   UNL     1       5.652   2.105   0.879  1.00  0.00           H  
HETATM   67  H   UNL     1       7.229   2.133  -2.095  1.00  0.00           H  
HETATM   68  H   UNL     1       7.099   3.433  -0.833  1.00  0.00           H  
HETATM   69  H   UNL     1       9.604   1.770  -1.611  1.00  0.00           H  
HETATM   70  H   UNL     1       9.546   3.480  -1.000  1.00  0.00           H  
HETATM   71  H   UNL     1       8.777   2.758   1.214  1.00  0.00           H  
HETATM   72  H   UNL     1       9.575   1.187   0.769  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.710  -1.713  -0.204  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.431   3.203  -0.125  1.00  0.00           H  
HETATM   75  H   UNL     1       1.351   1.496   3.111  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.975  -3.481  -0.406  1.00  0.00           H  
CONECT    1   12   15   15   39                                       
CONECT    2   14   14   15   16                                       
CONECT    3   18    5   17   37                                       
CONECT    4   19   32   40   41                                       
CONECT    5   32    3   42   43                                       
CONECT    6   23   22   22   20                                       
CONECT    7    8   44   45   46                                       
CONECT    8    9    7   10   47                                       
CONECT    9    8   48   49   50                                       
CONECT   10    8   30   26   51                                       
CONECT   11   30   12   52   53                                       
CONECT   12   11   13   13    1                                       
CONECT   13   12   12   14   54                                       
CONECT   14   13    2    2   55                                       
CONECT   15    1    1    2   36                                       
CONECT   16    2   38   38   31                                       
CONECT   17   31    3   56   57                                       
CONECT   18   19    3   58   59                                       
CONECT   19    4   18   60   61                                       
CONECT   20    6   32   33   33                                       
CONECT   21   34   34   33   62                                       
CONECT   22   35    6    6   34                                       
CONECT   23   24   24    6   63                                       
CONECT   24   23   23   35   64                                       
CONECT   25   30   26   65   66                                       
CONECT   26   10   29   25   27                                       
CONECT   27   26   28   67   68                                       
CONECT   28   29   27   69   70                                       
CONECT   29   26   28   71   72                                       
CONECT   30   10   11   25                                            
CONECT   31   16   17   73                                            
CONECT   32    4   20    5                                            
CONECT   33   20   20   21                                            
CONECT   34   22   21   21                                            
CONECT   35   24   22   74                                            
CONECT   36   15   75                                                 
CONECT   37    3   76                                                 
CONECT   38   16   16                                                 
CONECT   39    1                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
