COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.290  -4.707   0.115  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.416  -0.685  -0.123  1.00  0.00           N  
HETATM    3  C   UNL     1       1.279  -2.518   0.156  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.954  -4.090   0.021  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.341  -2.031  -0.101  1.00  0.00           C  
HETATM    6  C   UNL     1       5.788   0.677   0.207  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.125  -1.025  -0.240  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.476   0.953  -0.144  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.714   1.337  -0.025  1.00  0.00           C  
HETATM   10  C   UNL     1       7.055   0.074   0.293  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.097   1.173  -0.083  1.00  0.00           C  
HETATM   12  C   UNL     1       1.425  -3.904   0.184  1.00  0.00           C  
HETATM   13  C   UNL     1       4.427   2.689  -0.015  1.00  0.00           C  
HETATM   14  C   UNL     1       2.481  -1.653   0.227  1.00  0.00           C  
HETATM   15  C   UNL     1       3.323   1.879   0.026  1.00  0.00           C  
HETATM   16  C   UNL     1       8.088   2.232   0.135  1.00  0.00           C  
HETATM   17  N   UNL     1       2.349  -0.312   0.200  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.022  -2.698  -0.001  1.00  0.00           C  
HETATM   19  C   UNL     1       3.479   0.497   0.161  1.00  0.00           C  
HETATM   20  C   UNL     1       5.703   2.083   0.077  1.00  0.00           C  
HETATM   21  C   UNL     1       8.175   0.847   0.257  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.929   1.969  -0.011  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.374   1.751  -0.073  1.00  0.00           C  
HETATM   24  N   UNL     1       3.677   6.426  -1.652  1.00  0.00           N  
HETATM   25  C   UNL     1       3.033   6.077  -0.379  1.00  0.00           C  
HETATM   26  C   UNL     1       2.974   4.554  -0.237  1.00  0.00           C  
HETATM   27  O   UNL     1       4.301   4.033  -0.146  1.00  0.00           O  
HETATM   28  N   UNL     1       4.671  -0.060   0.241  1.00  0.00           N  
HETATM   29  C   UNL     1       6.876   2.849   0.043  1.00  0.00           C  
HETATM   30  O   UNL     1       3.585  -2.154   0.310  1.00  0.00           O  
HETATM   31  N   UNL     1       0.079  -1.965   0.065  1.00  0.00           N  
HETATM   32  O   UNL     1       0.394  -6.060   0.145  1.00  0.00           O  
HETATM   33  C   UNL     1       1.710  -6.608   0.243  1.00  0.00           C  
HETATM   34  C   UNL     1       1.627  -8.136   0.264  1.00  0.00           C  
HETATM   35  N   UNL     1       1.101  -8.615  -1.022  1.00  0.00           N  
HETATM   36  O   UNL     1      -3.356  -2.696  -0.162  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.657  -0.057  -0.110  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.749  -0.791  -0.177  1.00  0.00           N  
HETATM   39  C   UNL     1      -5.966  -0.234  -0.168  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.351  -0.431  -0.228  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.011   3.320   0.071  1.00  0.00           O  
HETATM   42  C   UNL     1      -3.780   4.041   0.141  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.071   5.541   0.228  1.00  0.00           C  
HETATM   44  N   UNL     1      -4.765   5.833   1.489  1.00  0.00           N  
HETATM   45  H   UNL     1      -1.604  -0.155  -0.149  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.855  -4.683  -0.034  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.044  -2.100  -0.309  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.460   1.399  -0.136  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.803   1.914   0.028  1.00  0.00           H  
HETATM   50  H   UNL     1       7.139  -0.998   0.388  1.00  0.00           H  
HETATM   51  H   UNL     1       2.406  -4.349   0.258  1.00  0.00           H  
HETATM   52  H   UNL     1       2.334   2.309  -0.042  1.00  0.00           H  
HETATM   53  H   UNL     1       8.991   2.823   0.108  1.00  0.00           H  
HETATM   54  H   UNL     1       1.465   0.088   0.209  1.00  0.00           H  
HETATM   55  H   UNL     1       9.146   0.380   0.328  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.484   2.823  -0.009  1.00  0.00           H  
HETATM   57  H   UNL     1       3.199   5.995  -2.429  1.00  0.00           H  
HETATM   58  H   UNL     1       3.728   7.427  -1.769  1.00  0.00           H  
HETATM   59  H   UNL     1       3.609   6.496   0.446  1.00  0.00           H  
HETATM   60  H   UNL     1       2.022   6.483  -0.359  1.00  0.00           H  
HETATM   61  H   UNL     1       2.418   4.294   0.664  1.00  0.00           H  
HETATM   62  H   UNL     1       2.476   4.128  -1.108  1.00  0.00           H  
HETATM   63  H   UNL     1       6.821   3.923  -0.055  1.00  0.00           H  
HETATM   64  H   UNL     1       2.302  -6.288  -0.615  1.00  0.00           H  
HETATM   65  H   UNL     1       2.182  -6.258   1.161  1.00  0.00           H  
HETATM   66  H   UNL     1       2.621  -8.552   0.427  1.00  0.00           H  
HETATM   67  H   UNL     1       0.963  -8.453   1.069  1.00  0.00           H  
HETATM   68  H   UNL     1       1.663  -8.280  -1.790  1.00  0.00           H  
HETATM   69  H   UNL     1       1.036  -9.622  -1.033  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.238  -1.044  -0.283  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.224   3.728   1.025  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.188   3.837  -0.752  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.134   6.096   0.191  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.702   5.838  -0.611  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.228   5.508   2.280  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.968   6.818   1.570  1.00  0.00           H  
CONECT    1   12   32    4    4                                       
CONECT    2    5   37   45                                            
CONECT    3   14   12   12   31                                       
CONECT    4    1    1   18   46                                       
CONECT    5   18    2   36   36                                       
CONECT    6   20   20   28   10                                       
CONECT    7   39   40   40   47                                       
CONECT    8   40   23   23   48                                       
CONECT    9   37   22   22   49                                       
CONECT   10    6   21   21   50                                       
CONECT   11   39   39   22   23                                       
CONECT   12    3    3    1   51                                       
CONECT   13   27   15   15   20                                       
CONECT   14   30   30   17    3                                       
CONECT   15   13   13   19   52                                       
CONECT   16   29   29   21   53                                       
CONECT   17   19   14   54                                            
CONECT   18   31   31    4    5                                       
CONECT   19   15   17   28   28                                       
CONECT   20   13   29    6    6                                       
CONECT   21   16   10   10   55                                       
CONECT   22    9    9   11   41                                       
CONECT   23   11    8    8   56                                       
CONECT   24   25   57   58                                            
CONECT   25   24   26   59   60                                       
CONECT   26   25   27   61   62                                       
CONECT   27   26   13                                                 
CONECT   28   19   19    6                                            
CONECT   29   20   16   16   63                                       
CONECT   30   14   14                                                 
CONECT   31    3   18   18                                            
CONECT   32   33    1                                                 
CONECT   33   34   32   64   65                                       
CONECT   34   35   33   66   67                                       
CONECT   35   34   68   69                                            
CONECT   36    5    5                                                 
CONECT   37    2   38   38    9                                       
CONECT   38   37   37   39                                            
CONECT   39   38    7   11   11                                       
CONECT   40    7    7    8   70                                       
CONECT   41   22   42                                                 
CONECT   42   41   43   71   72                                       
CONECT   43   42   44   73   74                                       
CONECT   44   43   75   76                                            
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   21                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   29                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   40                                                      
CONECT   71   42                                                      
CONECT   72   42                                                      
CONECT   73   43                                                      
CONECT   74   43                                                      
CONECT   75   44                                                      
CONECT   76   44                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
