COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.098   0.298  -0.632  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.137   0.236   0.458  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.603   1.346   1.991  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.534  -1.046   1.920  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.726   0.378  -0.881  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.650   1.403   0.991  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.043   0.121   2.458  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.581  -0.989   0.920  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.774   0.322  -0.038  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.913   0.406  -2.082  1.00  0.00           O  
HETATM   11  N   UNL     1      -2.470   0.403  -0.395  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.328   0.353  -1.311  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.157  -0.296  -0.620  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.172  -0.449   0.583  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.948   1.774  -1.732  1.00  0.00           C  
HETATM   16  C   UNL     1       0.153   1.715  -2.792  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.407   1.102  -4.076  1.00  0.00           C  
HETATM   18  C   UNL     1       0.659   3.130  -3.081  1.00  0.00           C  
HETATM   19  N   UNL     1       0.907  -0.706  -1.338  1.00  0.00           N  
HETATM   20  C   UNL     1       1.999  -1.431  -0.683  1.00  0.00           C  
HETATM   21  C   UNL     1       1.693  -2.930  -0.691  1.00  0.00           C  
HETATM   22  C   UNL     1       2.762  -3.673   0.113  1.00  0.00           C  
HETATM   23  C   UNL     1       2.568  -5.202  -0.012  1.00  0.00           C  
HETATM   24  C   UNL     1       2.954  -5.685   1.404  1.00  0.00           C  
HETATM   25  N   UNL     1       2.706  -4.542   2.289  1.00  0.00           N  
HETATM   26  C   UNL     1       2.599  -3.398   1.592  1.00  0.00           C  
HETATM   27  O   UNL     1       2.401  -2.304   2.077  1.00  0.00           O  
HETATM   28  C   UNL     1       3.306  -1.173  -1.434  1.00  0.00           C  
HETATM   29  O   UNL     1       3.178  -1.625  -2.783  1.00  0.00           O  
HETATM   30  C   UNL     1       3.607   0.304  -1.425  1.00  0.00           C  
HETATM   31  O   UNL     1       3.613   0.928  -2.466  1.00  0.00           O  
HETATM   32  N   UNL     1       3.871   0.931  -0.262  1.00  0.00           N  
HETATM   33  C   UNL     1       4.163   2.367  -0.254  1.00  0.00           C  
HETATM   34  C   UNL     1       4.420   2.819   1.161  1.00  0.00           C  
HETATM   35  C   UNL     1       5.703   2.789   1.673  1.00  0.00           C  
HETATM   36  C   UNL     1       5.939   3.204   2.971  1.00  0.00           C  
HETATM   37  C   UNL     1       4.891   3.648   3.756  1.00  0.00           C  
HETATM   38  C   UNL     1       3.608   3.678   3.243  1.00  0.00           C  
HETATM   39  C   UNL     1       3.373   3.269   1.944  1.00  0.00           C  
HETATM   40  H   UNL     1      -6.192  -0.578  -1.274  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.247   1.201  -1.225  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.004   2.258   2.408  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.877  -2.003   2.285  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.307   2.360   0.627  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.783   0.076   3.242  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.183  -1.901   0.501  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.321   0.455   0.562  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.596  -0.228  -2.194  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.823   2.277  -2.144  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.588   2.326  -0.863  1.00  0.00           H  
HETATM   51  H   UNL     1       0.977   1.103  -2.426  1.00  0.00           H  
HETATM   52  H   UNL     1       0.395   0.989  -4.806  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.837   0.125  -3.855  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.180   1.754  -4.484  1.00  0.00           H  
HETATM   55  H   UNL     1       1.058   3.568  -2.166  1.00  0.00           H  
HETATM   56  H   UNL     1       1.443   3.089  -3.836  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.165   3.743  -3.447  1.00  0.00           H  
HETATM   58  H   UNL     1       0.950  -0.522  -2.290  1.00  0.00           H  
HETATM   59  H   UNL     1       2.097  -1.086   0.347  1.00  0.00           H  
HETATM   60  H   UNL     1       0.715  -3.104  -0.243  1.00  0.00           H  
HETATM   61  H   UNL     1       1.692  -3.295  -1.718  1.00  0.00           H  
HETATM   62  H   UNL     1       3.758  -3.387  -0.223  1.00  0.00           H  
HETATM   63  H   UNL     1       1.529  -5.446  -0.237  1.00  0.00           H  
HETATM   64  H   UNL     1       3.237  -5.620  -0.764  1.00  0.00           H  
HETATM   65  H   UNL     1       2.333  -6.531   1.697  1.00  0.00           H  
HETATM   66  H   UNL     1       4.008  -5.964   1.432  1.00  0.00           H  
HETATM   67  H   UNL     1       2.628  -4.603   3.254  1.00  0.00           H  
HETATM   68  H   UNL     1       4.118  -1.712  -0.946  1.00  0.00           H  
HETATM   69  H   UNL     1       2.472  -1.187  -3.279  1.00  0.00           H  
HETATM   70  H   UNL     1       3.866   0.432   0.570  1.00  0.00           H  
HETATM   71  H   UNL     1       5.046   2.561  -0.863  1.00  0.00           H  
HETATM   72  H   UNL     1       3.313   2.913  -0.661  1.00  0.00           H  
HETATM   73  H   UNL     1       6.522   2.442   1.060  1.00  0.00           H  
HETATM   74  H   UNL     1       6.942   3.181   3.372  1.00  0.00           H  
HETATM   75  H   UNL     1       5.075   3.972   4.769  1.00  0.00           H  
HETATM   76  H   UNL     1       2.789   4.025   3.856  1.00  0.00           H  
HETATM   77  H   UNL     1       2.371   3.292   1.543  1.00  0.00           H  
CONECT    1    2    9   40   41                                       
CONECT    2    8    1    6    6                                       
CONECT    3    7    7    6   42                                       
CONECT    4    8    8    7   43                                       
CONECT    5   10   10    9   11                                       
CONECT    6    2    2    3   44                                       
CONECT    7    4    3    3   45                                       
CONECT    8    4    4    2   46                                       
CONECT    9    1    5                                                 
CONECT   10    5    5                                                 
CONECT   11    5   12   47                                            
CONECT   12   11   13   15   48                                       
CONECT   13   12   19   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   49   50                                       
CONECT   16   18   15   17   51                                       
CONECT   17   16   52   53   54                                       
CONECT   18   16   55   56   57                                       
CONECT   19   13   20   58                                            
CONECT   20   21   19   28   59                                       
CONECT   21   22   20   60   61                                       
CONECT   22   26   21   23   62                                       
CONECT   23   22   24   63   64                                       
CONECT   24   25   23   65   66                                       
CONECT   25   26   24   67                                            
CONECT   26   27   27   25   22                                       
CONECT   27   26   26                                                 
CONECT   28   20   29   30   68                                       
CONECT   29   28   69                                                 
CONECT   30   28   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   70                                            
CONECT   33   32   34   71   72                                       
CONECT   34   33   39   35   35                                       
CONECT   35   34   34   36   73                                       
CONECT   36   37   37   35   74                                       
CONECT   37   38   36   36   75                                       
CONECT   38   39   39   37   76                                       
CONECT   39   38   38   34   77                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
