COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.604   6.172   0.237  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.156   4.776  -0.199  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.719   4.533   0.267  1.00  0.00           C  
HETATM    4  O   UNL     1      -5.031   3.780   0.393  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.216   2.640  -0.300  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.661   2.482  -1.370  1.00  0.00           O  
HETATM    7  N   UNL     1      -6.016   1.674   0.193  1.00  0.00           N  
HETATM    8  C   UNL     1      -6.218   0.434  -0.561  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.557  -0.185  -0.164  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.665  -1.579  -0.796  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.030  -2.191  -0.472  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.598  -2.414  -0.227  1.00  0.00           N  
HETATM   13  C   UNL     1      -6.856  -3.673   0.179  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.919  -4.362   1.138  1.00  0.00           C  
HETATM   15  O   UNL     1      -7.841  -4.251  -0.227  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.308  -1.879  -0.113  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.244  -2.734   0.156  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.965  -2.234   0.277  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.740  -0.867   0.129  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.807  -0.013  -0.141  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.088  -0.517  -0.264  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.367  -0.321   0.260  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.299  -1.176   0.531  1.00  0.00           C  
HETATM   24  C   UNL     1       0.976  -0.667   0.652  1.00  0.00           C  
HETATM   25  C   UNL     1       1.198   0.697   0.504  1.00  0.00           C  
HETATM   26  N   UNL     1       2.493   1.211   0.628  1.00  0.00           N  
HETATM   27  C   UNL     1       3.553   0.460   0.267  1.00  0.00           C  
HETATM   28  O   UNL     1       3.381  -0.621  -0.255  1.00  0.00           O  
HETATM   29  C   UNL     1       4.952   0.965   0.513  1.00  0.00           C  
HETATM   30  C   UNL     1       5.962  -0.070   0.015  1.00  0.00           C  
HETATM   31  C   UNL     1       7.382   0.442   0.264  1.00  0.00           C  
HETATM   32  C   UNL     1       8.393  -0.593  -0.234  1.00  0.00           C  
HETATM   33  C   UNL     1       9.812  -0.081   0.016  1.00  0.00           C  
HETATM   34  C   UNL     1      10.823  -1.117  -0.482  1.00  0.00           C  
HETATM   35  C   UNL     1      12.222  -0.612  -0.237  1.00  0.00           C  
HETATM   36  O   UNL     1      12.393   0.469   0.285  1.00  0.00           O  
HETATM   37  N   UNL     1      13.282  -1.362  -0.597  1.00  0.00           N  
HETATM   38  O   UNL     1      14.596  -0.888  -0.366  1.00  0.00           O  
HETATM   39  C   UNL     1       0.136   1.551   0.234  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.141   1.046   0.106  1.00  0.00           C  
HETATM   41  H   UNL     1      -3.948   6.920  -0.206  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.628   6.345  -0.094  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.557   6.246   1.324  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.203   4.702  -1.285  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.671   4.607   1.353  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.399   3.539  -0.044  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.062   5.281  -0.177  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.459   1.800   1.047  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.227   0.659  -1.627  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.613  -0.271   0.921  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.372   0.443  -0.525  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.541  -1.506  -1.876  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.813  -1.464  -0.683  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.184  -3.080  -1.084  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.064  -2.466   0.583  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.169  -3.652   1.487  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.485  -4.740   1.990  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.427  -5.192   0.632  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.421  -3.793   0.270  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.141  -2.900   0.485  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.632   1.047  -0.256  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.472  -2.236   0.646  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.966   1.709  -0.108  1.00  0.00           H  
HETATM   64  H   UNL     1       1.803  -1.329   0.862  1.00  0.00           H  
HETATM   65  H   UNL     1       2.628   2.107   0.973  1.00  0.00           H  
HETATM   66  H   UNL     1       0.311   2.610   0.119  1.00  0.00           H  
HETATM   67  H   UNL     1       5.099   1.903  -0.023  1.00  0.00           H  
HETATM   68  H   UNL     1       5.096   1.130   1.581  1.00  0.00           H  
HETATM   69  H   UNL     1       5.815  -1.008   0.550  1.00  0.00           H  
HETATM   70  H   UNL     1       5.818  -0.235  -1.053  1.00  0.00           H  
HETATM   71  H   UNL     1       7.529   1.380  -0.271  1.00  0.00           H  
HETATM   72  H   UNL     1       7.527   0.607   1.332  1.00  0.00           H  
HETATM   73  H   UNL     1       8.245  -1.531   0.302  1.00  0.00           H  
HETATM   74  H   UNL     1       8.248  -0.758  -1.301  1.00  0.00           H  
HETATM   75  H   UNL     1       9.960   0.857  -0.520  1.00  0.00           H  
HETATM   76  H   UNL     1       9.957   0.083   1.083  1.00  0.00           H  
HETATM   77  H   UNL     1      10.676  -2.055   0.053  1.00  0.00           H  
HETATM   78  H   UNL     1      10.678  -1.281  -1.550  1.00  0.00           H  
HETATM   79  H   UNL     1      13.144  -2.227  -1.015  1.00  0.00           H  
HETATM   80  H   UNL     1      15.290  -1.495  -0.658  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    1    3    4   44                                       
CONECT    3    2   45   46   47                                       
CONECT    4    2    5                                                 
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   48                                            
CONECT    8    7    9   21   49                                       
CONECT    9    8   10   50   51                                       
CONECT   10    9   11   12   52                                       
CONECT   11   10   53   54   55                                       
CONECT   12   10   13   16                                            
CONECT   13   12   14   15   15                                       
CONECT   14   13   56   57   58                                       
CONECT   15   13   13                                                 
CONECT   16   12   17   17   21                                       
CONECT   17   16   16   18   59                                       
CONECT   18   17   19   19   60                                       
CONECT   19   18   18   20   22                                       
CONECT   20   19   21   21   61                                       
CONECT   21    8   16   20   20                                       
CONECT   22   19   23   40   40                                       
CONECT   23   22   24   24   62                                       
CONECT   24   23   23   25   64                                       
CONECT   25   24   26   39   39                                       
CONECT   26   25   27   65                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   67   68                                       
CONECT   30   29   31   69   70                                       
CONECT   31   30   32   71   72                                       
CONECT   32   31   33   73   74                                       
CONECT   33   32   34   75   76                                       
CONECT   34   33   35   77   78                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   79                                            
CONECT   38   37   80                                                 
CONECT   39   25   25   40   66                                       
CONECT   40   22   22   39   63                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   23                                                      
CONECT   63   40                                                      
CONECT   64   24                                                      
CONECT   65   26                                                      
CONECT   66   39                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
