COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.231  -4.658   0.289  1.00  0.00           C  
HETATM    2  C   UNL     1       0.963  -4.172  -0.444  1.00  0.00           C  
HETATM    3  C   UNL     1       1.365  -4.802  -1.621  1.00  0.00           C  
HETATM    4  C   UNL     1       1.683  -3.082   0.039  1.00  0.00           C  
HETATM    5  C   UNL     1       1.251  -2.393   1.308  1.00  0.00           C  
HETATM    6  C   UNL     1       4.106  -0.684  -1.035  1.00  0.00           C  
HETATM    7  C   UNL     1       4.780   0.532  -0.531  1.00  0.00           C  
HETATM    8  C   UNL     1       5.383   1.420  -1.424  1.00  0.00           C  
HETATM    9  C   UNL     1       6.011   2.552  -0.947  1.00  0.00           C  
HETATM   10  C   UNL     1       6.043   2.809   0.412  1.00  0.00           C  
HETATM   11  C   UNL     1       5.448   1.933   1.302  1.00  0.00           C  
HETATM   12  C   UNL     1       8.205   4.019   0.516  1.00  0.00           C  
HETATM   13  C   UNL     1       6.061   5.287   0.329  1.00  0.00           C  
HETATM   14  C   UNL     1       6.626   4.094   2.451  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.250  -5.925   0.875  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.713  -2.594  -0.009  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.752  -1.112   0.178  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.174  -0.071  -0.551  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.885   1.086  -0.781  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.184   1.217  -0.285  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.762   0.175   0.444  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.050  -0.981   0.674  1.00  0.00           C  
HETATM   23  C   UNL     1       2.477  -4.349  -2.302  1.00  0.00           C  
HETATM   24  C   UNL     1       3.195  -3.271  -1.820  1.00  0.00           C  
HETATM   25  C   UNL     1       2.799  -2.633  -0.651  1.00  0.00           C  
HETATM   26  N   UNL     1       3.525  -1.539  -0.170  1.00  0.00           N  
HETATM   27  O   UNL     1       4.076  -0.912  -2.228  1.00  0.00           O  
HETATM   28  C   UNL     1       4.812   0.800   0.838  1.00  0.00           C  
HETATM   29  C   UNL     1       6.731   4.048   0.925  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.383  -6.343   1.550  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.445  -5.575   1.655  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.372  -3.858   0.419  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.487  -4.356   1.117  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.434  -3.396   1.084  1.00  0.00           N  
HETATM   35  C   UNL     1      -2.990  -2.356   0.420  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.948   2.459  -0.532  1.00  0.00           C  
HETATM   37  N   UNL     1      -5.305   3.640  -0.615  1.00  0.00           N  
HETATM   38  O   UNL     1      -7.156   2.414  -0.659  1.00  0.00           O  
HETATM   39  C   UNL     1      -6.025   4.871  -0.977  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.690   5.950   0.059  1.00  0.00           C  
HETATM   41  O   UNL     1      -4.270   6.058   0.183  1.00  0.00           O  
HETATM   42  C   UNL     1      -3.631   4.871   0.659  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.862   3.738  -0.341  1.00  0.00           C  
HETATM   44  H   UNL     1       0.806  -5.645  -2.000  1.00  0.00           H  
HETATM   45  H   UNL     1       1.741  -2.862   2.161  1.00  0.00           H  
HETATM   46  H   UNL     1       1.530  -1.340   1.263  1.00  0.00           H  
HETATM   47  H   UNL     1       0.170  -2.479   1.418  1.00  0.00           H  
HETATM   48  H   UNL     1       5.359   1.220  -2.485  1.00  0.00           H  
HETATM   49  H   UNL     1       6.477   3.240  -1.637  1.00  0.00           H  
HETATM   50  H   UNL     1       5.478   2.138   2.362  1.00  0.00           H  
HETATM   51  H   UNL     1       8.281   3.985  -0.571  1.00  0.00           H  
HETATM   52  H   UNL     1       8.703   4.915   0.887  1.00  0.00           H  
HETATM   53  H   UNL     1       8.683   3.136   0.941  1.00  0.00           H  
HETATM   54  H   UNL     1       5.011   5.307   0.620  1.00  0.00           H  
HETATM   55  H   UNL     1       6.558   6.183   0.700  1.00  0.00           H  
HETATM   56  H   UNL     1       6.136   5.253  -0.758  1.00  0.00           H  
HETATM   57  H   UNL     1       7.103   3.211   2.875  1.00  0.00           H  
HETATM   58  H   UNL     1       7.123   4.990   2.822  1.00  0.00           H  
HETATM   59  H   UNL     1       5.576   4.115   2.742  1.00  0.00           H  
HETATM   60  H   UNL     1       0.611  -6.573   0.801  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.157  -1.990  -0.526  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.170  -0.172  -0.934  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.439   1.891  -1.345  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.766   0.277   0.828  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.498  -1.788   1.235  1.00  0.00           H  
HETATM   66  H   UNL     1       2.787  -4.839  -3.213  1.00  0.00           H  
HETATM   67  H   UNL     1       4.065  -2.921  -2.356  1.00  0.00           H  
HETATM   68  H   UNL     1       3.610  -1.395   0.785  1.00  0.00           H  
HETATM   69  H   UNL     1       4.343   0.119   1.534  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.395  -7.324   2.002  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.711   5.203  -1.967  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.099   4.682  -0.977  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.102   6.906  -0.264  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.120   5.675   1.023  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.562   5.051   0.766  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.053   4.592   1.624  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.502   2.799   0.078  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.332   3.954  -1.269  1.00  0.00           H  
CONECT    1   32   32   15    2                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2   23   44                                       
CONECT    4    2    5   25   25                                       
CONECT    5    4   45   46   47                                       
CONECT    6   26   27   27    7                                       
CONECT    7    6   28   28    8                                       
CONECT    8    7    9    9   48                                       
CONECT    9    8    8   10   49                                       
CONECT   10   11   11    9   29                                       
CONECT   11   28   10   10   50                                       
CONECT   12   29   51   52   53                                       
CONECT   13   29   54   55   56                                       
CONECT   14   29   57   58   59                                       
CONECT   15   30   30    1   60                                       
CONECT   16   35   32   61                                            
CONECT   17   18   18   22   35                                       
CONECT   18   19   17   17   62                                       
CONECT   19   20   20   18   63                                       
CONECT   20   36   19   19   21                                       
CONECT   21   20   22   22   64                                       
CONECT   22   21   21   17   65                                       
CONECT   23    3   24   24   66                                       
CONECT   24   23   23   25   67                                       
CONECT   25    4    4   24   26                                       
CONECT   26   25    6   68                                            
CONECT   27    6    6                                                 
CONECT   28    7    7   11   69                                       
CONECT   29   10   14   13   12                                       
CONECT   30   31   15   15   70                                       
CONECT   31   33   33   30                                            
CONECT   32   16   33    1    1                                       
CONECT   33   34   31   31   32                                       
CONECT   34   35   35   33                                            
CONECT   35   17   34   34   16                                       
CONECT   36   37   38   38   20                                       
CONECT   37   39   43   36                                            
CONECT   38   36   36                                                 
CONECT   39   40   37   71   72                                       
CONECT   40   41   39   73   74                                       
CONECT   41   40   42                                                 
CONECT   42   41   43   75   76                                       
CONECT   43   42   37   77   78                                       
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   26                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   43                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
