COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.974   0.538   0.530  1.00  0.00           O  
HETATM    2  C   UNL     1       5.706  -0.404   0.758  1.00  0.00           C  
HETATM    3  O   UNL     1       7.042  -0.234   0.761  1.00  0.00           O  
HETATM    4  C   UNL     1       7.537   1.103   0.483  1.00  0.00           C  
HETATM    5  C   UNL     1       6.996   2.076   1.533  1.00  0.00           C  
HETATM    6  C   UNL     1       9.066   1.101   0.530  1.00  0.00           C  
HETATM    7  C   UNL     1       7.069   1.541  -0.906  1.00  0.00           C  
HETATM    8  N   UNL     1       5.181  -1.619   1.014  1.00  0.00           N  
HETATM    9  C   UNL     1       3.792  -1.773   1.123  1.00  0.00           C  
HETATM   10  C   UNL     1       2.950  -1.441   0.040  1.00  0.00           C  
HETATM   11  O   UNL     1       3.429  -1.017  -0.999  1.00  0.00           O  
HETATM   12  C   UNL     1       3.237  -2.253   2.277  1.00  0.00           C  
HETATM   13  C   UNL     1       1.845  -2.398   2.359  1.00  0.00           C  
HETATM   14  C   UNL     1       1.066  -2.066   1.304  1.00  0.00           C  
HETATM   15  N   UNL     1       1.617  -1.594   0.154  1.00  0.00           N  
HETATM   16  C   UNL     1       0.749  -1.247  -0.975  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.035  -2.486  -1.414  1.00  0.00           C  
HETATM   18  C   UNL     1       0.935  -3.537  -1.957  1.00  0.00           C  
HETATM   19  C   UNL     1       0.356  -4.900  -2.342  1.00  0.00           C  
HETATM   20  C   UNL     1       0.804  -3.924  -3.432  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.213  -0.166  -0.555  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.178   0.271   0.576  1.00  0.00           O  
HETATM   23  N   UNL     1      -1.114   0.314  -1.435  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.975   1.438  -1.062  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.203   2.749  -1.224  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.074   3.916  -0.755  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.342   3.812   0.730  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.147   3.062   1.240  1.00  0.00           O  
HETATM   29  N   UNL     1      -1.559   4.673   1.403  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.690   5.427   0.491  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.316   5.254  -0.914  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.208   1.458  -1.968  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.798   1.604  -3.329  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.970   0.167  -1.808  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.066  -0.600  -2.743  1.00  0.00           O  
HETATM   36  N   UNL     1      -4.544  -0.135  -0.627  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.284  -1.390  -0.472  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.822  -1.485   0.933  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.074  -0.980   1.229  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.567  -1.067   2.517  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.809  -1.660   3.509  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.557  -2.165   3.213  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.066  -2.084   1.923  1.00  0.00           C  
HETATM   44  H   UNL     1       7.329   1.764   2.523  1.00  0.00           H  
HETATM   45  H   UNL     1       7.367   3.079   1.324  1.00  0.00           H  
HETATM   46  H   UNL     1       5.906   2.077   1.500  1.00  0.00           H  
HETATM   47  H   UNL     1       9.451   0.408  -0.218  1.00  0.00           H  
HETATM   48  H   UNL     1       9.437   2.104   0.321  1.00  0.00           H  
HETATM   49  H   UNL     1       9.399   0.789   1.520  1.00  0.00           H  
HETATM   50  H   UNL     1       5.980   1.543  -0.940  1.00  0.00           H  
HETATM   51  H   UNL     1       7.441   2.544  -1.115  1.00  0.00           H  
HETATM   52  H   UNL     1       7.455   0.848  -1.654  1.00  0.00           H  
HETATM   53  H   UNL     1       5.765  -2.386   1.124  1.00  0.00           H  
HETATM   54  H   UNL     1       3.864  -2.517   3.116  1.00  0.00           H  
HETATM   55  H   UNL     1       1.394  -2.776   3.265  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.005  -2.182   1.375  1.00  0.00           H  
HETATM   57  H   UNL     1       1.358  -0.889  -1.804  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.575  -2.896  -0.561  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.744  -2.208  -2.194  1.00  0.00           H  
HETATM   60  H   UNL     1       1.937  -3.518  -1.528  1.00  0.00           H  
HETATM   61  H   UNL     1       0.978  -5.778  -2.167  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.715  -5.048  -2.208  1.00  0.00           H  
HETATM   63  H   UNL     1       0.027  -3.430  -4.015  1.00  0.00           H  
HETATM   64  H   UNL     1       1.720  -4.160  -3.973  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.191  -0.085  -2.316  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.289   1.327  -0.024  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.293   2.711  -0.625  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.941   2.889  -2.273  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.011   3.939  -1.312  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.566   4.781   2.366  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.675   6.481   0.770  1.00  0.00           H  
HETATM   72  H   UNL     1       0.320   5.018   0.507  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.544   5.178  -1.679  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.005   6.070  -1.138  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.467   0.478   0.120  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.111  -1.414  -1.181  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.617  -2.231  -0.663  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.666  -0.516   0.454  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.545  -0.671   2.749  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.194  -1.727   4.516  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.966  -2.633   3.987  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.088  -2.479   1.692  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.850   2.295  -1.691  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.223   0.893  -3.645  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    8    1    1                                       
CONECT    3    4    2                                                 
CONECT    4    6    7    3    5                                       
CONECT    5    4   44   45   46                                       
CONECT    6    4   47   48   49                                       
CONECT    7    4   50   51   52                                       
CONECT    8    2    9   53                                            
CONECT    9    8   10   12   12                                       
CONECT   10   11   11    9   15                                       
CONECT   11   10   10                                                 
CONECT   12    9    9   13   54                                       
CONECT   13   12   14   14   55                                       
CONECT   14   15   13   13   56                                       
CONECT   15   10   16   14                                            
CONECT   16   21   15   17   57                                       
CONECT   17   16   18   58   59                                       
CONECT   18   17   20   19   60                                       
CONECT   19   20   18   61   62                                       
CONECT   20   18   19   63   64                                       
CONECT   21   23   22   22   16                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   65                                            
CONECT   24   25   32   23   66                                       
CONECT   25   26   24   67   68                                       
CONECT   26   27   31   25   69                                       
CONECT   27   29   28   28   26                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   70                                            
CONECT   30   29   31   71   72                                       
CONECT   31   30   26   73   74                                       
CONECT   32   34   24   33   83                                       
CONECT   33   32   84                                                 
CONECT   34   35   35   36   32                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   75                                            
CONECT   37   38   36   76   77                                       
CONECT   38   43   37   39   39                                       
CONECT   39   38   38   40   78                                       
CONECT   40   41   41   39   79                                       
CONECT   41   42   40   40   80                                       
CONECT   42   43   43   41   81                                       
CONECT   43   42   42   38   82                                       
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
