COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       3.138   4.247  -0.331  1.00  0.00           C  
HETATM    2  C   UNL     1       4.043   3.203  -0.336  1.00  0.00           C  
HETATM    3  C   UNL     1       2.245   1.631  -0.065  1.00  0.00           C  
HETATM    4  C   UNL     1       1.788   3.996  -0.194  1.00  0.00           C  
HETATM    5  O   UNL     1       6.033   2.061   0.861  1.00  0.00           O  
HETATM    6  C   UNL     1       5.749   1.015   0.311  1.00  0.00           C  
HETATM    7  C   UNL     1       6.754  -0.065   0.212  1.00  0.00           C  
HETATM    8  C   UNL     1       8.030   0.114   0.750  1.00  0.00           C  
HETATM    9  C   UNL     1       8.963  -0.897   0.655  1.00  0.00           C  
HETATM   10  C   UNL     1       8.638  -2.087   0.028  1.00  0.00           C  
HETATM   11  C   UNL     1       9.662  -3.187  -0.072  1.00  0.00           C  
HETATM   12  C   UNL     1       9.055  -4.385  -0.805  1.00  0.00           C  
HETATM   13  C   UNL     1      10.881  -2.680  -0.846  1.00  0.00           C  
HETATM   14  C   UNL     1      10.092  -3.613   1.333  1.00  0.00           C  
HETATM   15  C   UNL     1       7.375  -2.270  -0.507  1.00  0.00           C  
HETATM   16  C   UNL     1       6.430  -1.270  -0.414  1.00  0.00           C  
HETATM   17  N   UNL     1       4.518   0.839  -0.210  1.00  0.00           N  
HETATM   18  C   UNL     1       3.599   1.893  -0.204  1.00  0.00           C  
HETATM   19  C   UNL     1       1.760   0.211   0.073  1.00  0.00           C  
HETATM   20  C   UNL     1       1.333   2.684  -0.065  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.118   2.411   0.082  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.836   3.096   0.967  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.701   1.486  -0.675  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.001   1.243  -0.543  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.718   1.924   0.344  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.137   2.852   1.098  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.883   3.562   2.016  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.606   0.281  -1.330  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.975   0.048  -1.214  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.607   0.219   0.014  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.959  -0.011   0.131  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.697  -0.417  -0.984  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.059  -0.588  -2.216  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.708  -0.351  -2.328  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.146  -0.665  -0.862  1.00  0.00           C  
HETATM   36  O   UNL     1      -8.902  -0.298  -1.740  1.00  0.00           O  
HETATM   37  N   UNL     1      -8.632  -1.298   0.225  1.00  0.00           N  
HETATM   38  C   UNL     1     -10.057  -1.655   0.319  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.159  -3.136   0.702  1.00  0.00           C  
HETATM   40  O   UNL     1      -9.365  -3.377   1.867  1.00  0.00           O  
HETATM   41  C   UNL     1      -7.969  -3.133   1.684  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.753  -1.657   1.349  1.00  0.00           C  
HETATM   43  H   UNL     1       3.489   5.264  -0.430  1.00  0.00           H  
HETATM   44  H   UNL     1       5.099   3.406  -0.444  1.00  0.00           H  
HETATM   45  H   UNL     1       1.084   4.814  -0.186  1.00  0.00           H  
HETATM   46  H   UNL     1       8.286   1.042   1.240  1.00  0.00           H  
HETATM   47  H   UNL     1       9.951  -0.760   1.071  1.00  0.00           H  
HETATM   48  H   UNL     1       8.749  -4.081  -1.806  1.00  0.00           H  
HETATM   49  H   UNL     1       9.796  -5.181  -0.877  1.00  0.00           H  
HETATM   50  H   UNL     1       8.186  -4.746  -0.254  1.00  0.00           H  
HETATM   51  H   UNL     1      11.314  -1.827  -0.324  1.00  0.00           H  
HETATM   52  H   UNL     1      11.622  -3.476  -0.919  1.00  0.00           H  
HETATM   53  H   UNL     1      10.575  -2.376  -1.847  1.00  0.00           H  
HETATM   54  H   UNL     1       9.224  -3.974   1.884  1.00  0.00           H  
HETATM   55  H   UNL     1      10.833  -4.409   1.261  1.00  0.00           H  
HETATM   56  H   UNL     1      10.525  -2.760   1.855  1.00  0.00           H  
HETATM   57  H   UNL     1       7.126  -3.203  -0.992  1.00  0.00           H  
HETATM   58  H   UNL     1       5.445  -1.414  -0.832  1.00  0.00           H  
HETATM   59  H   UNL     1       4.270  -0.019  -0.589  1.00  0.00           H  
HETATM   60  H   UNL     1       1.475  -0.173  -0.906  1.00  0.00           H  
HETATM   61  H   UNL     1       2.557  -0.406   0.488  1.00  0.00           H  
HETATM   62  H   UNL     1       0.896   0.185   0.738  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.459   4.239   2.566  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.832   3.384   2.112  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.079  -0.231  -1.962  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.036   0.532   0.875  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.449   0.121   1.085  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.626  -0.901  -3.080  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.214  -0.482  -3.280  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.539  -1.044   1.082  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.541  -1.490  -0.643  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.198  -3.387   0.912  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.795  -3.751  -0.121  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.433  -3.381   2.600  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.596  -3.748   0.865  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.712  -1.492   1.070  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.003  -1.043   2.214  1.00  0.00           H  
CONECT    1    2    2    4   43                                       
CONECT    2   18    1    1   44                                       
CONECT    3   18   18   19   20                                       
CONECT    4    1   20   20   45                                       
CONECT    5    6    6                                                 
CONECT    6   17    7    5    5                                       
CONECT    7   16    6    8    8                                       
CONECT    8    7    7    9   46                                       
CONECT    9   10   10    8   47                                       
CONECT   10   15   11    9    9                                       
CONECT   11   13   12   10   14                                       
CONECT   12   11   48   49   50                                       
CONECT   13   11   51   52   53                                       
CONECT   14   11   54   55   56                                       
CONECT   15   16   16   10   57                                       
CONECT   16   15   15    7   58                                       
CONECT   17   18    6   59                                            
CONECT   18   17    2    3    3                                       
CONECT   19    3   60   61   62                                       
CONECT   20    3    4    4   21                                       
CONECT   21   23   20   22   22                                       
CONECT   22   21   21   26                                            
CONECT   23   24   24   21                                            
CONECT   24   28   23   23   25                                       
CONECT   25   24   26   26                                            
CONECT   26   25   25   22   27                                       
CONECT   27   26   63   64                                            
CONECT   28   29   24   65                                            
CONECT   29   30   30   34   28                                       
CONECT   30   31   29   29   66                                       
CONECT   31   32   32   30   67                                       
CONECT   32   35   31   31   33                                       
CONECT   33   32   34   34   68                                       
CONECT   34   33   33   29   69                                       
CONECT   35   37   36   36   32                                       
CONECT   36   35   35                                                 
CONECT   37   42   38   35                                            
CONECT   38   39   37   70   71                                       
CONECT   39   40   38   72   73                                       
CONECT   40   41   39                                                 
CONECT   41   40   42   74   75                                       
CONECT   42   41   37   76   77                                       
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   42                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
