COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.682   3.045   0.084  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.968   3.736  -0.405  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.956   2.751  -1.587  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.153   1.806  -0.685  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.027   1.073  -1.416  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.958   0.918   0.082  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.321  -0.026   0.826  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.054  -0.707   1.792  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.453  -1.680   2.564  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.116  -1.979   2.377  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.458  -3.045   3.215  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.595  -4.399   2.517  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.384  -1.301   1.423  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.981  -0.320   0.647  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.134   0.403  -0.369  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.241  -0.557  -1.032  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.026   0.106  -1.522  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.065  -0.942  -2.087  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.651  -1.555  -3.237  1.00  0.00           O  
HETATM   20  C   UNL     1       1.250  -0.268  -2.483  1.00  0.00           C  
HETATM   21  C   UNL     1       2.217  -1.308  -3.053  1.00  0.00           C  
HETATM   22  C   UNL     1       2.636  -2.279  -1.979  1.00  0.00           C  
HETATM   23  C   UNL     1       3.624  -1.931  -1.074  1.00  0.00           C  
HETATM   24  C   UNL     1       2.046  -3.527  -1.903  1.00  0.00           C  
HETATM   25  C   UNL     1       2.428  -4.416  -0.916  1.00  0.00           C  
HETATM   26  C   UNL     1       3.407  -4.062  -0.009  1.00  0.00           C  
HETATM   27  C   UNL     1       4.013  -2.820  -0.090  1.00  0.00           C  
HETATM   28  C   UNL     1       5.101  -2.458   0.883  1.00  0.00           C  
HETATM   29  C   UNL     1       4.665  -1.293   1.775  1.00  0.00           C  
HETATM   30  C   UNL     1       5.611  -0.108   1.574  1.00  0.00           C  
HETATM   31  C   UNL     1       5.127   1.085   2.402  1.00  0.00           C  
HETATM   32  N   UNL     1       4.354   1.993   1.554  1.00  0.00           N  
HETATM   33  C   UNL     1       3.605   1.487   0.560  1.00  0.00           C  
HETATM   34  C   UNL     1       4.400   3.321   1.775  1.00  0.00           C  
HETATM   35  O   UNL     1       5.079   3.763   2.687  1.00  0.00           O  
HETATM   36  C   UNL     1       3.666   4.205   0.962  1.00  0.00           C  
HETATM   37  C   UNL     1       2.904   3.713  -0.054  1.00  0.00           C  
HETATM   38  C   UNL     1       2.865   2.316  -0.263  1.00  0.00           C  
HETATM   39  C   UNL     1       2.049   1.715  -1.337  1.00  0.00           C  
HETATM   40  O   UNL     1       1.541   2.400  -2.202  1.00  0.00           O  
HETATM   41  N   UNL     1       1.866   0.361  -1.299  1.00  0.00           N  
HETATM   42  H   UNL     1      -3.770   3.487  -0.316  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.646   2.902   1.164  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.817   3.602   0.265  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.820   4.774  -0.701  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.943   2.371  -1.850  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.396   3.112  -2.450  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.449   0.317  -2.077  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.442   1.785  -1.998  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.099  -0.474   1.938  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.025  -2.206   3.313  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.402  -2.807   3.342  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.941  -3.089   4.192  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.651  -4.637   2.390  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.113  -4.355   1.541  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.119  -5.170   3.123  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.340  -1.538   1.279  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.535   1.163   0.135  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.718  -1.037  -1.780  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.290   0.817  -2.306  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.543   0.636  -0.700  1.00  0.00           H  
HETATM   62  H   UNL     1       0.130  -1.702  -1.330  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.852  -0.937  -3.953  1.00  0.00           H  
HETATM   64  H   UNL     1       1.051   0.492  -3.241  1.00  0.00           H  
HETATM   65  H   UNL     1       1.730  -1.852  -3.863  1.00  0.00           H  
HETATM   66  H   UNL     1       3.103  -0.803  -3.444  1.00  0.00           H  
HETATM   67  H   UNL     1       4.094  -0.960  -1.140  1.00  0.00           H  
HETATM   68  H   UNL     1       1.287  -3.809  -2.619  1.00  0.00           H  
HETATM   69  H   UNL     1       1.963  -5.390  -0.857  1.00  0.00           H  
HETATM   70  H   UNL     1       3.704  -4.757   0.765  1.00  0.00           H  
HETATM   71  H   UNL     1       5.327  -3.322   1.510  1.00  0.00           H  
HETATM   72  H   UNL     1       5.998  -2.173   0.332  1.00  0.00           H  
HETATM   73  H   UNL     1       3.647  -1.003   1.522  1.00  0.00           H  
HETATM   74  H   UNL     1       4.698  -1.607   2.819  1.00  0.00           H  
HETATM   75  H   UNL     1       6.615  -0.391   1.900  1.00  0.00           H  
HETATM   76  H   UNL     1       5.641   0.163   0.519  1.00  0.00           H  
HETATM   77  H   UNL     1       4.499   0.730   3.221  1.00  0.00           H  
HETATM   78  H   UNL     1       5.989   1.613   2.812  1.00  0.00           H  
HETATM   79  H   UNL     1       3.585   0.422   0.394  1.00  0.00           H  
HETATM   80  H   UNL     1       3.707   5.269   1.143  1.00  0.00           H  
HETATM   81  H   UNL     1       2.338   4.381  -0.685  1.00  0.00           H  
HETATM   82  H   UNL     1       2.116  -0.165  -0.520  1.00  0.00           H  
CONECT    1    2    4   42   43                                       
CONECT    2    1    3   44   45                                       
CONECT    3    2    4   46   47                                       
CONECT    4    5    1    3    6                                       
CONECT    5   15    4   48   49                                       
CONECT    6    4    7                                                 
CONECT    7   14    6    8    8                                       
CONECT    8    7    7    9   50                                       
CONECT    9   10   10    8   51                                       
CONECT   10   13   11    9    9                                       
CONECT   11   12   10   52   53                                       
CONECT   12   11   54   55   56                                       
CONECT   13   14   14   10   57                                       
CONECT   14   15   13   13    7                                       
CONECT   15   16    5   14   58                                       
CONECT   16   17   15   59                                            
CONECT   17   18   16   60   61                                       
CONECT   18   19   20   17   62                                       
CONECT   19   18   63                                                 
CONECT   20   21   18   41   64                                       
CONECT   21   22   20   65   66                                       
CONECT   22   23   21   24   24                                       
CONECT   23   27   27   22   67                                       
CONECT   24   22   22   25   68                                       
CONECT   25   26   26   24   69                                       
CONECT   26   27   25   25   70                                       
CONECT   27   28   23   23   26                                       
CONECT   28   29   27   71   72                                       
CONECT   29   30   28   73   74                                       
CONECT   30   29   31   75   76                                       
CONECT   31   30   32   77   78                                       
CONECT   32   31   34   33                                            
CONECT   33   32   38   38   79                                       
CONECT   34   35   35   32   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   37   80                                       
CONECT   37   36   36   38   81                                       
CONECT   38   33   33   37   39                                       
CONECT   39   41   38   40   40                                       
CONECT   40   39   39                                                 
CONECT   41   20   39   82                                            
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   33                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   41                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
