COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.279  -1.791  -0.494  1.00  0.00           C  
HETATM    2  C   UNL     1       0.105  -3.077  -1.304  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.280  -5.459  -1.103  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.330  -6.622  -0.109  1.00  0.00           C  
HETATM    5  N   UNL     1       0.990  -6.784   0.518  1.00  0.00           N  
HETATM    6  C   UNL     1       1.004  -7.940   1.424  1.00  0.00           C  
HETATM    7  C   UNL     1       1.389  -5.557   1.222  1.00  0.00           C  
HETATM    8  C   UNL     1       1.438  -4.394   0.228  1.00  0.00           C  
HETATM    9  N   UNL     1       0.119  -4.233  -0.398  1.00  0.00           N  
HETATM   10  C   UNL     1       0.264  -0.587  -1.438  1.00  0.00           C  
HETATM   11  N   UNL     1       0.431   0.644  -0.662  1.00  0.00           N  
HETATM   12  C   UNL     1       1.666   1.130  -0.426  1.00  0.00           C  
HETATM   13  O   UNL     1       1.802   2.199   0.136  1.00  0.00           O  
HETATM   14  N   UNL     1       2.751   0.430  -0.813  1.00  0.00           N  
HETATM   15  C   UNL     1       4.032   0.875  -0.466  1.00  0.00           C  
HETATM   16  C   UNL     1       4.417   2.178  -0.754  1.00  0.00           C  
HETATM   17 CL   UNL     1       3.309   3.256  -1.545  1.00  0.00          Cl  
HETATM   18  C   UNL     1       4.917   0.016   0.172  1.00  0.00           C  
HETATM   19 CL   UNL     1       4.436  -1.611   0.540  1.00  0.00          Cl  
HETATM   20  C   UNL     1       6.186   0.458   0.516  1.00  0.00           C  
HETATM   21  O   UNL     1       7.053  -0.382   1.141  1.00  0.00           O  
HETATM   22  C   UNL     1       8.343   0.139   1.465  1.00  0.00           C  
HETATM   23  C   UNL     1       6.572   1.758   0.222  1.00  0.00           C  
HETATM   24  C   UNL     1       5.687   2.618  -0.410  1.00  0.00           C  
HETATM   25  O   UNL     1       6.063   3.894  -0.692  1.00  0.00           O  
HETATM   26  C   UNL     1       7.385   4.279  -0.309  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.684   1.312  -0.168  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.944   0.728  -0.238  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.561   2.517   0.383  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.612   3.157   0.854  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.823   2.640   0.802  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.029   1.435   0.275  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.306   0.898   0.224  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.367   1.554   0.859  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.129   2.344   1.975  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.178   2.991   2.600  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.466   2.854   2.118  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.713   2.069   1.007  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.666   1.421   0.369  1.00  0.00           C  
HETATM   40  N   UNL     1      -6.913   0.625  -0.756  1.00  0.00           N  
HETATM   41  C   UNL     1      -8.105   0.011  -0.898  1.00  0.00           C  
HETATM   42  O   UNL     1      -8.993   0.212  -0.092  1.00  0.00           O  
HETATM   43  C   UNL     1      -8.330  -0.903  -2.028  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.506  -1.510  -2.168  1.00  0.00           C  
HETATM   45  H   UNL     1      -0.536  -1.700   0.223  1.00  0.00           H  
HETATM   46  H   UNL     1       1.230  -1.823   0.039  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.846  -3.044  -1.837  1.00  0.00           H  
HETATM   48  H   UNL     1       0.920  -3.167  -2.022  1.00  0.00           H  
HETATM   49  H   UNL     1       0.444  -5.681  -1.886  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.266  -5.319  -1.547  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.074  -6.412   0.660  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.597  -7.538  -0.634  1.00  0.00           H  
HETATM   53  H   UNL     1       0.771  -8.844   0.863  1.00  0.00           H  
HETATM   54  H   UNL     1       1.992  -8.036   1.874  1.00  0.00           H  
HETATM   55  H   UNL     1       0.260  -7.796   2.208  1.00  0.00           H  
HETATM   56  H   UNL     1       0.665  -5.336   2.006  1.00  0.00           H  
HETATM   57  H   UNL     1       2.374  -5.698   1.667  1.00  0.00           H  
HETATM   58  H   UNL     1       1.706  -3.478   0.754  1.00  0.00           H  
HETATM   59  H   UNL     1       2.183  -4.604  -0.540  1.00  0.00           H  
HETATM   60  H   UNL     1       1.080  -0.678  -2.155  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.686  -0.554  -1.970  1.00  0.00           H  
HETATM   62  H   UNL     1       2.644  -0.382  -1.333  1.00  0.00           H  
HETATM   63  H   UNL     1       8.848   0.454   0.552  1.00  0.00           H  
HETATM   64  H   UNL     1       8.232   0.994   2.132  1.00  0.00           H  
HETATM   65  H   UNL     1       8.933  -0.632   1.959  1.00  0.00           H  
HETATM   66  H   UNL     1       7.560   2.101   0.490  1.00  0.00           H  
HETATM   67  H   UNL     1       8.111   3.641  -0.814  1.00  0.00           H  
HETATM   68  H   UNL     1       7.557   5.318  -0.592  1.00  0.00           H  
HETATM   69  H   UNL     1       7.496   4.173   0.770  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.078  -0.249  -0.680  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.477   4.134   1.295  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.465   0.067  -0.251  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.123   2.453   2.355  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.990   3.605   3.468  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.283   3.361   2.610  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.721   1.964   0.633  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.228   0.517  -1.434  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.542  -1.082  -2.744  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.672  -2.181  -2.998  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.294  -1.331  -1.452  1.00  0.00           H  
CONECT    1    2   10   45   46                                       
CONECT    2    1    9   47   48                                       
CONECT    3    4    9   49   50                                       
CONECT    4    3    5   51   52                                       
CONECT    5    4    6    7                                            
CONECT    6    5   53   54   55                                       
CONECT    7    5    8   56   57                                       
CONECT    8    9    7   58   59                                       
CONECT    9    3    2    8                                            
CONECT   10    1   11   60   61                                       
CONECT   11   27   10   12                                            
CONECT   12   11   14   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   62                                            
CONECT   15   14   18   18   16                                       
CONECT   16   15   17   24   24                                       
CONECT   17   16                                                      
CONECT   18   19   15   15   20                                       
CONECT   19   18                                                      
CONECT   20   18   21   23   23                                       
CONECT   21   20   22                                                 
CONECT   22   21   63   64   65                                       
CONECT   23   20   20   24   66                                       
CONECT   24   16   16   23   25                                       
CONECT   25   24   26                                                 
CONECT   26   25   67   68   69                                       
CONECT   27   28   28   29   11                                       
CONECT   28   32   27   27   70                                       
CONECT   29   30   30   27                                            
CONECT   30   31   29   29   71                                       
CONECT   31   32   32   30                                            
CONECT   32   33   31   31   28                                       
CONECT   33   34   32   72                                            
CONECT   34   39   39   35   33                                       
CONECT   35   36   36   34   73                                       
CONECT   36   37   35   35   74                                       
CONECT   37   38   38   36   75                                       
CONECT   38   37   37   39   76                                       
CONECT   39   38   40   34   34                                       
CONECT   40   41   39   77                                            
CONECT   41   42   42   43   40                                       
CONECT   42   41   41                                                 
CONECT   43   41   44   44   78                                       
CONECT   44   43   43   79   80                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   14                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   33                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   40                                                      
CONECT   78   43                                                      
CONECT   79   44                                                      
CONECT   80   44                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
