COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.799   5.912  -1.602  1.00  0.00           C  
HETATM    2  C   UNL     1       4.973   5.959  -2.985  1.00  0.00           C  
HETATM    3  C   UNL     1       6.253   5.865  -3.531  1.00  0.00           C  
HETATM    4  C   UNL     1       7.359   5.724  -2.694  1.00  0.00           C  
HETATM    5  C   UNL     1       7.186   5.677  -1.310  1.00  0.00           C  
HETATM    6  C   UNL     1       5.910   5.772  -0.804  1.00  0.00           C  
HETATM    7  C   UNL     1       5.724   5.722   0.677  1.00  0.00           C  
HETATM    8  O   UNL     1       6.742   5.596   1.375  1.00  0.00           O  
HETATM    9  C   UNL     1       2.418   4.746   2.146  1.00  0.00           C  
HETATM   10  N   UNL     1       1.685   3.562   2.385  1.00  0.00           N  
HETATM   11  C   UNL     1       3.675   4.657   1.547  1.00  0.00           C  
HETATM   12  C   UNL     1       4.414   5.814   1.302  1.00  0.00           C  
HETATM   13  C   UNL     1       3.897   7.060   1.656  1.00  0.00           C  
HETATM   14  C   UNL     1       2.641   7.150   2.255  1.00  0.00           C  
HETATM   15  C   UNL     1       1.900   5.993   2.500  1.00  0.00           C  
HETATM   16  N   UNL     1       0.630   6.106   3.107  1.00  0.00           N  
HETATM   17  P   UNL     1      -0.146   7.514   3.495  1.00  0.00           P  
HETATM   18  O   UNL     1       0.687   8.113   4.765  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.272   8.592   2.442  1.00  0.00           O  
HETATM   20  N   UNL     1      -1.577   6.999   4.171  1.00  0.00           N  
HETATM   21  P   UNL     1      -2.692   6.506   3.057  1.00  0.00           P  
HETATM   22  O   UNL     1      -4.091   6.344   3.865  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.856   7.345   1.817  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.345   4.958   2.720  1.00  0.00           O  
HETATM   25  P   UNL     1      -3.038   3.894   1.723  1.00  0.00           P  
HETATM   26  O   UNL     1      -2.055   2.612   1.808  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.480   3.600   2.019  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.733   4.494   0.252  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.088   3.719  -0.880  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.709   4.481  -2.142  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.275   4.674  -2.144  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.771   2.932  -3.670  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.616   2.544  -5.019  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.043   3.719  -3.420  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.237   4.658  -4.478  1.00  0.00           O  
HETATM   36  C   UNL     1      -0.708   3.932  -3.240  1.00  0.00           C  
HETATM   37  N   UNL     1       0.551   3.319  -2.822  1.00  0.00           N  
HETATM   38  C   UNL     1       1.655   3.092  -3.591  1.00  0.00           C  
HETATM   39  N   UNL     1       1.789   3.396  -4.901  1.00  0.00           N  
HETATM   40  C   UNL     1       2.964   3.064  -5.389  1.00  0.00           C  
HETATM   41  N   UNL     1       3.297   3.290  -6.700  1.00  0.00           N  
HETATM   42  N   UNL     1       3.971   2.453  -4.605  1.00  0.00           N  
HETATM   43  C   UNL     1       3.854   2.129  -3.247  1.00  0.00           C  
HETATM   44  O   UNL     1       4.723   1.600  -2.566  1.00  0.00           O  
HETATM   45  C   UNL     1       2.561   2.502  -2.743  1.00  0.00           C  
HETATM   46  N   UNL     1       2.063   2.355  -1.482  1.00  0.00           N  
HETATM   47  C   UNL     1       0.846   2.858  -1.561  1.00  0.00           C  
HETATM   48  H   UNL     1       3.797   5.985  -1.188  1.00  0.00           H  
HETATM   49  H   UNL     1       4.111   6.068  -3.637  1.00  0.00           H  
HETATM   50  H   UNL     1       6.388   5.902  -4.608  1.00  0.00           H  
HETATM   51  H   UNL     1       8.356   5.652  -3.118  1.00  0.00           H  
HETATM   52  H   UNL     1       8.055   5.567  -0.667  1.00  0.00           H  
HETATM   53  H   UNL     1       2.020   2.913   3.066  1.00  0.00           H  
HETATM   54  H   UNL     1       0.901   3.351   1.803  1.00  0.00           H  
HETATM   55  H   UNL     1       4.078   3.685   1.270  1.00  0.00           H  
HETATM   56  H   UNL     1       4.465   7.968   1.470  1.00  0.00           H  
HETATM   57  H   UNL     1       2.248   8.126   2.527  1.00  0.00           H  
HETATM   58  H   UNL     1       0.178   5.204   3.239  1.00  0.00           H  
HETATM   59  H   UNL     1       0.318   8.887   5.242  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.482   6.418   5.003  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.900   6.110   3.363  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.316   1.783   1.354  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.557   2.764  -0.834  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.166   3.531  -0.854  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.175   5.471  -2.121  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.748   2.036  -3.038  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.107   1.713  -5.139  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.941   3.099  -3.357  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.700   5.415  -4.090  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.438   4.629  -4.041  1.00  0.00           H  
HETATM   71  H   UNL     1       4.183   3.695  -6.897  1.00  0.00           H  
HETATM   72  H   UNL     1       2.641   3.039  -7.402  1.00  0.00           H  
HETATM   73  H   UNL     1       4.850   2.230  -5.064  1.00  0.00           H  
HETATM   74  H   UNL     1       0.136   2.918  -0.748  1.00  0.00           H  
CONECT    1    2    6    6   48                                       
CONECT    2    1    3    3   49                                       
CONECT    3    2    2    4   50                                       
CONECT    4    3    5    5   51                                       
CONECT    5    4    4    6   52                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7                                                 
CONECT    9   10   11   11   15                                       
CONECT   10    9   53   54                                            
CONECT   11    9    9   12   55                                       
CONECT   12    7   11   13   13                                       
CONECT   13   12   12   14   56                                       
CONECT   14   13   15   15   57                                       
CONECT   15    9   14   14   16                                       
CONECT   16   15   17   58                                            
CONECT   17   16   18   19   19                                       
CONECT   17   20                                                      
CONECT   18   17   59                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21   60                                            
CONECT   21   20   22   23   23                                       
CONECT   21   24                                                      
CONECT   22   21   61                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   27   27                                       
CONECT   25   28                                                      
CONECT   26   25   62                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30   63   64                                       
CONECT   30   29   31   34   65                                       
CONECT   31   30   36                                                 
CONECT   32   33   34   36   66                                       
CONECT   33   32   67                                                 
CONECT   34   30   32   35   68                                       
CONECT   35   34   69                                                 
CONECT   36   31   32   37   70                                       
CONECT   37   36   38   47                                            
CONECT   38   37   39   45   45                                       
CONECT   39   38   40   40                                            
CONECT   40   39   39   41   42                                       
CONECT   41   40   71   72                                            
CONECT   42   40   43   73                                            
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   38   38   43   46                                       
CONECT   46   45   47   47                                            
CONECT   47   37   46   46   74                                       
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   26                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   41                                                      
CONECT   72   41                                                      
CONECT   73   42                                                      
CONECT   74   47                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
