COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.644   2.363   1.092  1.00  0.00           C  
HETATM    2  C   UNL     1       5.807   1.239   0.287  1.00  0.00           C  
HETATM    3  N   UNL     1       7.588   3.269   0.132  1.00  0.00           N  
HETATM    4  C   UNL     1       4.096   0.738  -1.021  1.00  0.00           C  
HETATM    5  C   UNL     1       6.648   3.220  -0.806  1.00  0.00           C  
HETATM    6  N   UNL     1       6.786   1.369   1.177  1.00  0.00           N  
HETATM    7  C   UNL     1       5.706   2.175  -0.758  1.00  0.00           C  
HETATM    8  N   UNL     1       6.597   4.174  -1.806  1.00  0.00           N  
HETATM    9  N   UNL     1       4.647   1.821  -1.518  1.00  0.00           N  
HETATM   10  C1* UNL     1       4.485  -0.820   0.939  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.533   2.946   0.678  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.198  -0.566  -0.056  1.00  0.00           C  
HETATM   13  C2* UNL     1       3.247  -0.548   1.832  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.883  -1.765  -0.748  1.00  0.00           C  
HETATM   15  C3* UNL     1       2.731  -1.980   2.115  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.566   1.276   2.271  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.709  -2.583  -1.330  1.00  0.00           C  
HETATM   18  C4* UNL     1       3.337  -2.831   0.982  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.453  -1.782  -0.921  1.00  0.00           C  
HETATM   20  C5* UNL     1       2.221  -3.513   0.190  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.011   1.078   0.590  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.407  -1.824  -2.036  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.478   2.280   0.032  1.00  0.00           C  
HETATM   24  C   UNL     1       2.951   0.071  -1.563  1.00  0.00           C  
HETATM   25  C   UNL     1       2.012  -0.476  -2.008  1.00  0.00           C  
HETATM   26  C   UNL     1       0.835  -1.162  -2.565  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.869   1.563  -1.232  1.00  0.00           C  
HETATM   28  N   UNL     1      -8.038   4.131   0.172  1.00  0.00           N  
HETATM   29  N   UNL     1      -8.038   2.409   1.784  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.579   0.618   1.700  1.00  0.00           N  
HETATM   31  N   UNL     1      -5.738   2.519  -1.078  1.00  0.00           N  
HETATM   32  N   UNL     1       4.783   0.345   0.102  1.00  0.00           N  
HETATM   33  N   UNL     1      -4.997   0.650  -0.228  1.00  0.00           N  
HETATM   34  O2* UNL     1       3.628   0.106   3.044  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.613  -2.543   0.203  1.00  0.00           O  
HETATM   36  O3* UNL     1       3.196  -2.437   3.387  1.00  0.00           O  
HETATM   37  O   UNL     1      -3.677  -3.892  -0.757  1.00  0.00           O  
HETATM   38  O4* UNL     1       4.074  -1.941   0.127  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.925  -0.431  -0.725  1.00  0.00           O  
HETATM   40  O5* UNL     1       2.794  -4.390  -0.783  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.212  -1.178  -1.593  1.00  0.00           O  
HETATM   42  H   UNL     1       8.427   2.438   1.832  1.00  0.00           H  
HETATM   43  H   UNL     1       7.251   4.889  -1.829  1.00  0.00           H  
HETATM   44  H   UNL     1       5.906   4.128  -2.486  1.00  0.00           H  
HETATM   45  H1* UNL     1       5.348  -1.083   1.549  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.050  -0.774   1.004  1.00  0.00           H  
HETATM   47  H2* UNL     1       2.500   0.036   1.294  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.543  -1.420  -1.544  1.00  0.00           H  
HETATM   49  H3* UNL     1       1.642  -2.008   2.075  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.005   0.875   3.172  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.786  -2.643  -2.416  1.00  0.00           H  
HETATM   52  H4* UNL     1       4.007  -3.582   1.401  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.036  -2.178   0.005  1.00  0.00           H  
HETATM   54 H5*1 UNL     1       1.591  -4.087   0.870  1.00  0.00           H  
HETATM   55 H5*2 UNL     1       1.618  -2.757  -0.313  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.187  -2.861  -2.289  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.793  -1.310  -2.916  1.00  0.00           H  
HETATM   58  H   UNL     1       0.495  -0.634  -3.457  1.00  0.00           H  
HETATM   59  H   UNL     1       1.102  -2.185  -2.829  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.152   1.502  -2.038  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.663   4.511  -0.638  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.766   4.582   0.627  1.00  0.00           H  
HETATM   63  H2* UNL     1       2.888   0.297   3.637  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.013  -3.342  -0.167  1.00  0.00           H  
HETATM   65  H3* UNL     1       2.902  -3.329   3.616  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.470  -4.418  -0.932  1.00  0.00           H  
HETATM   67  H5* UNL     1       2.142  -4.857  -1.323  1.00  0.00           H  
CONECT    1    3    6    6   42                                       
CONECT    2    7    7   32    6                                       
CONECT    3    5    5    1                                            
CONECT    4    9    9   24   32                                       
CONECT    5    8    3    3    7                                       
CONECT    6    1    1    2                                            
CONECT    7    5    9    2    2                                       
CONECT    8    5   43   44                                            
CONECT    9    7    4    4                                            
CONECT   10   38   32   13   45                                       
CONECT   11   28   23   23   29                                       
CONECT   12   14   33   39   46                                       
CONECT   13   10   15   34   47                                       
CONECT   14   35   17   12   48                                       
CONECT   15   18   13   36   49                                       
CONECT   16   29   29   30   50                                       
CONECT   17   14   37   19   51                                       
CONECT   18   38   20   15   52                                       
CONECT   19   17   39   22   53                                       
CONECT   20   40   18   54   55                                       
CONECT   21   23   33   30   30                                       
CONECT   22   19   41   56   57                                       
CONECT   23   31   11   11   21                                       
CONECT   24    4   25   25   25                                       
CONECT   25   24   24   24   26                                       
CONECT   26   41   25   58   59                                       
CONECT   27   31   31   33   60                                       
CONECT   28   11   61   62                                            
CONECT   29   11   16   16                                            
CONECT   30   21   21   16                                            
CONECT   31   23   27   27                                            
CONECT   32    4    2   10                                            
CONECT   33   27   21   12                                            
CONECT   34   13   63                                                 
CONECT   35   14   64                                                 
CONECT   36   15   65                                                 
CONECT   37   17   66                                                 
CONECT   38   18   10                                                 
CONECT   39   12   19                                                 
CONECT   40   20   67                                                 
CONECT   41   22   26                                                 
CONECT   42    1                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   40                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
