COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.837   1.631  -1.428  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.143   0.271  -0.353  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.729  -2.832   1.179  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.341   1.715  -1.486  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.035   1.012  -2.453  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.414   1.085  -2.504  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.099   1.870  -1.594  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.404   2.577  -0.631  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.025   2.500  -0.577  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.831  -0.144   1.803  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.881   1.321   1.362  1.00  0.00           C  
HETATM   12  C   UNL     1       0.211  -3.579   0.785  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.005  -3.542   0.296  1.00  0.00           N  
HETATM   14  N   UNL     1       2.108  -3.307  -0.709  1.00  0.00           N  
HETATM   15  C   UNL     1       2.426  -2.132   0.110  1.00  0.00           C  
HETATM   16  N   UNL     1       4.329  -1.711  -1.353  1.00  0.00           N  
HETATM   17  C   UNL     1       4.157  -3.011  -2.021  1.00  0.00           C  
HETATM   18  C   UNL     1       3.379  -3.939  -1.082  1.00  0.00           C  
HETATM   19  C   UNL     1       5.535  -1.114  -1.293  1.00  0.00           C  
HETATM   20  C   UNL     1       5.684   0.217  -0.602  1.00  0.00           C  
HETATM   21  C   UNL     1       7.143   0.671  -0.677  1.00  0.00           C  
HETATM   22  O   UNL     1      -6.447   0.537  -0.557  1.00  0.00           O  
HETATM   23  N   UNL     1      -4.781  -0.745   0.456  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.362  -1.034   0.678  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.293   0.947  -0.897  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.349   2.211   2.487  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.400   3.675   2.046  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.890   4.530   3.126  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.934  -2.486   2.146  1.00  0.00           N  
HETATM   30  O   UNL     1       0.186  -2.905   1.939  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.831  -2.736   2.328  1.00  0.00           O  
HETATM   32  C   UNL     1       1.407  -4.256   0.167  1.00  0.00           C  
HETATM   33  C   UNL     1       3.141  -1.085  -0.750  1.00  0.00           C  
HETATM   34  O   UNL     1       6.501  -1.647  -1.796  1.00  0.00           O  
HETATM   35  C   UNL     1       7.294   2.022   0.025  1.00  0.00           C  
HETATM   36  C   UNL     1       8.731   2.468  -0.049  1.00  0.00           C  
HETATM   37  C   UNL     1       9.616   2.117   0.953  1.00  0.00           C  
HETATM   38  C   UNL     1       9.163   3.235  -1.115  1.00  0.00           C  
HETATM   39  C   UNL     1      10.936   2.522   0.883  1.00  0.00           C  
HETATM   40  C   UNL     1      10.482   3.644  -1.183  1.00  0.00           C  
HETATM   41  C   UNL     1      11.368   3.288  -0.183  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.196  -2.504   1.069  1.00  0.00           C  
HETATM   43  H   UNL     1      -6.436   2.567  -1.037  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.444   1.457  -2.429  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.500   0.399  -3.163  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.957   0.532  -3.256  1.00  0.00           H  
HETATM   47  H   UNL     1     -12.176   1.929  -1.635  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.939   3.190   0.080  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.482   3.053   0.175  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.801  -0.420   2.029  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.446  -0.276   2.693  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.911   1.597   1.136  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.266   1.453   0.472  1.00  0.00           H  
HETATM   54  H   UNL     1       1.504  -1.707   0.508  1.00  0.00           H  
HETATM   55  H   UNL     1       3.074  -2.429   0.934  1.00  0.00           H  
HETATM   56  H   UNL     1       5.133  -3.443  -2.239  1.00  0.00           H  
HETATM   57  H   UNL     1       3.600  -2.876  -2.948  1.00  0.00           H  
HETATM   58  H   UNL     1       3.969  -4.125  -0.185  1.00  0.00           H  
HETATM   59  H   UNL     1       3.180  -4.883  -1.588  1.00  0.00           H  
HETATM   60  H   UNL     1       5.049   0.955  -1.094  1.00  0.00           H  
HETATM   61  H   UNL     1       5.386   0.120   0.442  1.00  0.00           H  
HETATM   62  H   UNL     1       7.778  -0.067  -0.186  1.00  0.00           H  
HETATM   63  H   UNL     1       7.440   0.768  -1.721  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.460  -1.285   0.890  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.803  -0.836  -0.237  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.320   1.935   2.713  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.965   2.078   3.377  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.430   3.951   1.820  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.785   3.808   1.156  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.941   5.481   2.792  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.545   4.454   3.889  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.397  -2.159   2.971  1.00  0.00           H  
HETATM   73  H   UNL     1       2.083  -4.590   0.955  1.00  0.00           H  
HETATM   74  H   UNL     1       1.077  -5.114  -0.417  1.00  0.00           H  
HETATM   75  H   UNL     1       3.445  -0.244  -0.127  1.00  0.00           H  
HETATM   76  H   UNL     1       2.471  -0.737  -1.537  1.00  0.00           H  
HETATM   77  H   UNL     1       6.659   2.759  -0.467  1.00  0.00           H  
HETATM   78  H   UNL     1       6.997   1.925   1.069  1.00  0.00           H  
HETATM   79  H   UNL     1       9.279   1.519   1.787  1.00  0.00           H  
HETATM   80  H   UNL     1       8.471   3.513  -1.896  1.00  0.00           H  
HETATM   81  H   UNL     1      11.629   2.244   1.664  1.00  0.00           H  
HETATM   82  H   UNL     1      10.820   4.242  -2.016  1.00  0.00           H  
HETATM   83  H   UNL     1      12.399   3.607  -0.236  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.654  -3.136   0.309  1.00  0.00           H  
CONECT    1    4   22   43   44                                       
CONECT    2   22   23   25   25                                       
CONECT    3   13   29   29   42                                       
CONECT    4    1    5    9    9                                       
CONECT    5    4    6    6   45                                       
CONECT    6    5    5    7   46                                       
CONECT    7    6    8    8   47                                       
CONECT    8    7    7    9   48                                       
CONECT    9    4    4    8   49                                       
CONECT   10   11   24   50   51                                       
CONECT   11   10   26   52   53                                       
CONECT   12   13   13   30   32                                       
CONECT   13    3   12   12                                            
CONECT   14   15   18   32                                            
CONECT   15   14   33   54   55                                       
CONECT   16   17   19   33                                            
CONECT   17   16   18   56   57                                       
CONECT   18   14   17   58   59                                       
CONECT   19   16   20   34   34                                       
CONECT   20   19   21   60   61                                       
CONECT   21   20   35   62   63                                       
CONECT   22    1    2                                                 
CONECT   23    2   24   64                                            
CONECT   24   10   23   42   65                                       
CONECT   25    2    2                                                 
CONECT   26   11   27   66   67                                       
CONECT   27   26   28   68   69                                       
CONECT   28   27   70   71                                            
CONECT   29    3    3   30                                            
CONECT   30   12   29                                                 
CONECT   31   42   72                                                 
CONECT   32   12   14   73   74                                       
CONECT   33   15   16   75   76                                       
CONECT   34   19   19                                                 
CONECT   35   21   36   77   78                                       
CONECT   36   35   37   38   38                                       
CONECT   37   36   39   39   79                                       
CONECT   38   36   36   40   80                                       
CONECT   39   37   37   41   81                                       
CONECT   40   38   41   41   82                                       
CONECT   41   39   40   40   83                                       
CONECT   42    3   24   31   84                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
