COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.368   4.178   0.485  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.454   3.542   1.055  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.666  -0.727   0.928  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.165  -1.110  -0.466  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.811  -2.446  -1.638  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.093  -3.263  -1.457  1.00  0.00           C  
HETATM    7  O   UNL     1      -8.116  -2.422  -0.917  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.773  -1.832   0.340  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.497  -1.001   0.177  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.424  -1.858  -0.348  1.00  0.00           N  
HETATM   11  N   UNL     1      -2.410   0.018   0.810  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.417   1.413   0.690  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.351   2.049   0.072  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.484   2.164   1.165  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.302   3.433  -0.003  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.214   4.051  -0.530  1.00  0.00           O  
HETATM   17  C   UNL     1       0.982   3.409  -0.527  1.00  0.00           C  
HETATM   18  C   UNL     1       2.168   4.131  -0.564  1.00  0.00           C  
HETATM   19  C   UNL     1       3.383   3.472  -0.541  1.00  0.00           C  
HETATM   20  C   UNL     1       3.431   2.092  -0.471  1.00  0.00           C  
HETATM   21  C   UNL     1       2.250   1.362  -0.435  1.00  0.00           C  
HETATM   22  C   UNL     1       1.033   2.024  -0.494  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.248   1.237  -0.550  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.089  -0.071   0.172  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.182  -0.653   0.799  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.045  -1.889   1.417  1.00  0.00           C  
HETATM   27  C   UNL     1       0.186  -2.519   1.434  1.00  0.00           C  
HETATM   28  C   UNL     1       1.286  -1.918   0.851  1.00  0.00           C  
HETATM   29  C   UNL     1       1.155  -0.683   0.230  1.00  0.00           C  
HETATM   30  N   UNL     1       2.273  -0.031  -0.302  1.00  0.00           N  
HETATM   31  C   UNL     1       3.453  -0.796  -0.714  1.00  0.00           C  
HETATM   32  C   UNL     1       4.415  -0.926   0.469  1.00  0.00           C  
HETATM   33  N   UNL     1       5.597  -1.693   0.056  1.00  0.00           N  
HETATM   34  C   UNL     1       6.430  -2.043   1.216  1.00  0.00           C  
HETATM   35  C   UNL     1       7.616  -2.891   0.749  1.00  0.00           C  
HETATM   36  O   UNL     1       8.349  -2.170  -0.246  1.00  0.00           O  
HETATM   37  C   UNL     1       7.568  -1.813  -1.390  1.00  0.00           C  
HETATM   38  C   UNL     1       6.381  -0.955  -0.945  1.00  0.00           C  
HETATM   39  H   UNL     1      -2.349   5.255   0.414  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.287   4.126   1.419  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.413  -0.105   1.423  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.499  -1.630   1.516  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.332  -0.208  -1.054  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.418  -1.732  -0.961  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.012  -3.097  -1.996  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.985  -1.651  -2.363  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.415  -3.654  -2.422  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.904  -4.090  -0.773  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.586  -1.189   0.675  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.604  -2.618   1.077  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.683  -0.183  -0.519  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.201  -0.596   1.144  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.333   1.675   1.618  1.00  0.00           H  
HETATM   54  H   UNL     1       2.141   5.210  -0.611  1.00  0.00           H  
HETATM   55  H   UNL     1       4.301   4.039  -0.579  1.00  0.00           H  
HETATM   56  H   UNL     1       4.383   1.584  -0.445  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.498   1.031  -1.591  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.898  -2.357   1.884  1.00  0.00           H  
HETATM   59  H   UNL     1       0.288  -3.485   1.905  1.00  0.00           H  
HETATM   60  H   UNL     1       2.247  -2.409   0.878  1.00  0.00           H  
HETATM   61  H   UNL     1       3.145  -1.788  -1.043  1.00  0.00           H  
HETATM   62  H   UNL     1       3.952  -0.280  -1.533  1.00  0.00           H  
HETATM   63  H   UNL     1       4.722   0.066   0.798  1.00  0.00           H  
HETATM   64  H   UNL     1       3.915  -1.442   1.289  1.00  0.00           H  
HETATM   65  H   UNL     1       6.797  -1.132   1.688  1.00  0.00           H  
HETATM   66  H   UNL     1       5.836  -2.611   1.932  1.00  0.00           H  
HETATM   67  H   UNL     1       8.267  -3.104   1.596  1.00  0.00           H  
HETATM   68  H   UNL     1       7.251  -3.826   0.325  1.00  0.00           H  
HETATM   69  H   UNL     1       8.184  -1.248  -2.089  1.00  0.00           H  
HETATM   70  H   UNL     1       7.201  -2.717  -1.876  1.00  0.00           H  
HETATM   71  H   UNL     1       5.752  -0.729  -1.806  1.00  0.00           H  
HETATM   72  H   UNL     1       6.748  -0.026  -0.507  1.00  0.00           H  
CONECT    1   15   15    2   39                                       
CONECT    2    1   14   14   40                                       
CONECT    3   11    4   41   42                                       
CONECT    4    3   10   43   44                                       
CONECT    5   10    6   45   46                                       
CONECT    6    5    7   47   48                                       
CONECT    7    6    8                                                 
CONECT    8    9    7   49   50                                       
CONECT    9   10    8   51   52                                       
CONECT   10    4    5    9                                            
CONECT   11   25   12    3                                            
CONECT   12   13   13   11   14                                       
CONECT   13   23   15   12   12                                       
CONECT   14   12    2    2   53                                       
CONECT   15   16   13    1    1                                       
CONECT   16   17   15                                                 
CONECT   17   18   18   22   16                                       
CONECT   18   19   17   17   54                                       
CONECT   19   20   20   18   55                                       
CONECT   20   19   19   21   56                                       
CONECT   21   20   30   22   22                                       
CONECT   22   21   21   17   23                                       
CONECT   23   22   24   13   57                                       
CONECT   24   29   29   23   25                                       
CONECT   25   24   26   26   11                                       
CONECT   26   27   25   25   58                                       
CONECT   27   28   28   26   59                                       
CONECT   28   29   27   27   60                                       
CONECT   29   30   28   24   24                                       
CONECT   30   31   21   29                                            
CONECT   31   32   30   61   62                                       
CONECT   32   33   31   63   64                                       
CONECT   33   38   34   32                                            
CONECT   34   35   33   65   66                                       
CONECT   35   36   34   67   68                                       
CONECT   36   37   35                                                 
CONECT   37   36   38   69   70                                       
CONECT   38   37   33   71   72                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   14                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   23                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
