COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.716   0.153   2.194  1.00  0.00           N  
HETATM    2  C   UNL     1       3.395  -0.139   2.771  1.00  0.00           C  
HETATM    3  C   UNL     1       3.333   0.553   4.148  1.00  0.00           C  
HETATM    4  C   UNL     1       4.407   1.666   4.027  1.00  0.00           C  
HETATM    5  C   UNL     1       5.481   0.968   3.156  1.00  0.00           C  
HETATM    6  C   UNL     1       2.313   0.405   1.874  1.00  0.00           C  
HETATM    7  O   UNL     1       2.578   1.255   1.051  1.00  0.00           O  
HETATM    8  N   UNL     1       1.050  -0.052   1.988  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.002   0.477   1.117  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.331  -0.205   1.449  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.451   0.434   0.627  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.707  -0.123   1.020  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.803   0.260   0.309  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.481  -0.646  -0.450  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.570  -0.317  -1.164  1.00  0.00           O  
HETATM   16  C   UNL     1      -7.070   0.936  -1.181  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.446   1.949  -0.432  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.252   1.605   0.356  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.197   1.240  -1.931  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.698   2.532  -1.938  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.082   3.536  -1.197  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.959   3.253  -0.444  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.674   2.444   1.029  1.00  0.00           O  
HETATM   24  O   UNL     1      -6.356   4.231   0.279  1.00  0.00           O  
HETATM   25  O   UNL     1      -9.800   2.821  -2.675  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.001  -2.040  -0.488  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.686  -2.706   0.700  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.238  -4.012   0.658  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.099  -4.662  -0.568  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.410  -4.001  -1.747  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.864  -2.700  -1.712  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.656  -5.946  -0.607  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.931  -4.663   1.812  1.00  0.00           O  
HETATM   34  C   UNL     1       5.156  -0.260   0.989  1.00  0.00           C  
HETATM   35  C   UNL     1       6.498   0.105   0.537  1.00  0.00           C  
HETATM   36  C   UNL     1       6.939  -0.309  -0.670  1.00  0.00           C  
HETATM   37  O   UNL     1       4.437  -0.936   0.278  1.00  0.00           O  
HETATM   38  C   UNL     1       8.288   0.057  -1.125  1.00  0.00           C  
HETATM   39  C   UNL     1       9.117   0.835  -0.308  1.00  0.00           C  
HETATM   40  C   UNL     1      10.381   1.176  -0.737  1.00  0.00           C  
HETATM   41  C   UNL     1      10.836   0.751  -1.977  1.00  0.00           C  
HETATM   42  C   UNL     1      10.016  -0.024  -2.797  1.00  0.00           C  
HETATM   43  C   UNL     1       8.750  -0.376  -2.373  1.00  0.00           C  
HETATM   44  O   UNL     1      12.083   1.092  -2.395  1.00  0.00           O  
HETATM   45  O   UNL     1      10.465  -0.438  -4.012  1.00  0.00           O  
HETATM   46  H   UNL     1       3.272  -1.216   2.888  1.00  0.00           H  
HETATM   47  H   UNL     1       2.347   0.985   4.319  1.00  0.00           H  
HETATM   48  H   UNL     1       3.588  -0.148   4.944  1.00  0.00           H  
HETATM   49  H   UNL     1       4.004   2.544   3.523  1.00  0.00           H  
HETATM   50  H   UNL     1       4.808   1.930   5.006  1.00  0.00           H  
HETATM   51  H   UNL     1       6.115   0.331   3.773  1.00  0.00           H  
HETATM   52  H   UNL     1       6.083   1.709   2.630  1.00  0.00           H  
HETATM   53  H   UNL     1       0.838  -0.732   2.647  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.096   1.552   1.272  1.00  0.00           H  
HETATM   55  H   UNL     1       0.256   0.282   0.076  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.264  -1.266   1.211  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.545  -0.084   2.511  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.461   1.510   0.799  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.283   0.237  -0.432  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.683   0.470  -2.510  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.483   4.539  -1.212  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.695   4.319   1.180  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.634   2.710  -2.197  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.794  -2.201   1.648  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.301  -4.509  -2.694  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.110  -2.189  -2.632  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.361  -6.607  -0.560  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.675  -5.140   2.204  1.00  0.00           H  
HETATM   69  H   UNL     1       7.136   0.705   1.168  1.00  0.00           H  
HETATM   70  H   UNL     1       6.301  -0.909  -1.301  1.00  0.00           H  
HETATM   71  H   UNL     1       8.766   1.167   0.658  1.00  0.00           H  
HETATM   72  H   UNL     1      11.020   1.777  -0.106  1.00  0.00           H  
HETATM   73  H   UNL     1       8.114  -0.976  -3.007  1.00  0.00           H  
HETATM   74  H   UNL     1      12.768   0.457  -2.145  1.00  0.00           H  
HETATM   75  H   UNL     1      10.920  -1.291  -3.994  1.00  0.00           H  
CONECT    1   34    5    2                                            
CONECT    2    1    6    3   46                                       
CONECT    3    4    2   47   48                                       
CONECT    4    5    3   49   50                                       
CONECT    5    1    4   51   52                                       
CONECT    6    8    2    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   53                                            
CONECT    9   10    8   54   55                                       
CONECT   10   11    9   56   57                                       
CONECT   11   12   10   58   59                                       
CONECT   12   13   11                                                 
CONECT   13   14   14   18   12                                       
CONECT   14   15   26   13   13                                       
CONECT   15   16   14                                                 
CONECT   16   19   15   17   17                                       
CONECT   17   16   16   22   18                                       
CONECT   18   17   13   23   23                                       
CONECT   19   20   20   16   60                                       
CONECT   20   25   19   19   21                                       
CONECT   21   20   22   22   61                                       
CONECT   22   21   21   17   24                                       
CONECT   23   18   18                                                 
CONECT   24   22   62                                                 
CONECT   25   20   63                                                 
CONECT   26   27   14   31   31                                       
CONECT   27   28   28   26   64                                       
CONECT   28   33   27   27   29                                       
CONECT   29   28   32   30   30                                       
CONECT   30   29   29   31   65                                       
CONECT   31   26   26   30   66                                       
CONECT   32   29   67                                                 
CONECT   33   28   68                                                 
CONECT   34   35   37   37    1                                       
CONECT   35   36   36   34   69                                       
CONECT   36   38   35   35   70                                       
CONECT   37   34   34                                                 
CONECT   38   39   39   43   36                                       
CONECT   39   40   38   38   71                                       
CONECT   40   41   41   39   72                                       
CONECT   41   44   40   40   42                                       
CONECT   42   41   45   43   43                                       
CONECT   43   42   42   38   73                                       
CONECT   44   41   74                                                 
CONECT   45   42   75                                                 
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   27                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   43                                                      
CONECT   74   44                                                      
CONECT   75   45                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
