COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.118  -0.499   1.176  1.00  0.00           N  
HETATM    2  C   UNL     1       8.122  -1.512   1.527  1.00  0.00           C  
HETATM    3  C   UNL     1       5.768  -0.946   1.544  1.00  0.00           C  
HETATM    4  C   UNL     1       5.502  -0.606   3.012  1.00  0.00           C  
HETATM    5  C   UNL     1       4.754  -0.248   0.675  1.00  0.00           C  
HETATM    6  O   UNL     1       5.119   0.543  -0.168  1.00  0.00           O  
HETATM    7  N   UNL     1       3.440  -0.503   0.835  1.00  0.00           N  
HETATM    8  C   UNL     1       2.454   0.175  -0.009  1.00  0.00           C  
HETATM    9  C   UNL     1       1.129   0.226   0.707  1.00  0.00           C  
HETATM   10  O   UNL     1       0.901  -0.544   1.616  1.00  0.00           O  
HETATM   11  C   UNL     1       2.293  -0.593  -1.323  1.00  0.00           C  
HETATM   12  C   UNL     1       1.949  -2.053  -1.022  1.00  0.00           C  
HETATM   13  C   UNL     1       1.788  -2.821  -2.335  1.00  0.00           C  
HETATM   14  C   UNL     1       3.097  -2.759  -3.125  1.00  0.00           C  
HETATM   15  C   UNL     1       3.442  -1.299  -3.427  1.00  0.00           C  
HETATM   16  C   UNL     1       3.602  -0.531  -2.113  1.00  0.00           C  
HETATM   17  N   UNL     1       0.198   1.129   0.339  1.00  0.00           N  
HETATM   18  C   UNL     1       0.425   1.992  -0.837  1.00  0.00           C  
HETATM   19  C   UNL     1       0.147   3.425  -0.389  1.00  0.00           C  
HETATM   20  C   UNL     1       0.114   4.422  -1.562  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.793   5.553  -1.003  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.624   4.883   0.117  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.250   3.461   0.120  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.359   2.756   1.389  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.051   1.255   1.101  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.167   0.663   0.281  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.934   0.197  -0.815  1.00  0.00           O  
HETATM   28  N   UNL     1      -3.425   0.650   0.765  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.511   0.074  -0.032  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.833   0.723   0.374  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.975  -0.040  -0.308  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.084  -1.420   0.336  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.741  -2.101   0.361  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.716  -3.475   0.561  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.517  -4.156   0.599  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.330  -3.466   0.438  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.353  -2.102   0.237  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.559  -1.414   0.196  1.00  0.00           C  
HETATM   39  H   UNL     1       7.167  -0.266   0.195  1.00  0.00           H  
HETATM   40  H   UNL     1       7.904  -2.439   0.997  1.00  0.00           H  
HETATM   41  H   UNL     1       9.113  -1.156   1.243  1.00  0.00           H  
HETATM   42  H   UNL     1       8.095  -1.694   2.602  1.00  0.00           H  
HETATM   43  H   UNL     1       5.690  -2.023   1.401  1.00  0.00           H  
HETATM   44  H   UNL     1       6.235  -1.111   3.641  1.00  0.00           H  
HETATM   45  H   UNL     1       5.580   0.471   3.156  1.00  0.00           H  
HETATM   46  H   UNL     1       4.500  -0.938   3.286  1.00  0.00           H  
HETATM   47  H   UNL     1       3.148  -1.136   1.510  1.00  0.00           H  
HETATM   48  H   UNL     1       2.793   1.189  -0.221  1.00  0.00           H  
HETATM   49  H   UNL     1       1.492  -0.145  -1.911  1.00  0.00           H  
HETATM   50  H   UNL     1       2.750  -2.502  -0.434  1.00  0.00           H  
HETATM   51  H   UNL     1       1.016  -2.097  -0.458  1.00  0.00           H  
HETATM   52  H   UNL     1       1.543  -3.861  -2.120  1.00  0.00           H  
HETATM   53  H   UNL     1       0.987  -2.372  -2.923  1.00  0.00           H  
HETATM   54  H   UNL     1       3.898  -3.207  -2.538  1.00  0.00           H  
HETATM   55  H   UNL     1       2.983  -3.306  -4.061  1.00  0.00           H  
HETATM   56  H   UNL     1       4.374  -1.254  -3.990  1.00  0.00           H  
HETATM   57  H   UNL     1       2.641  -0.850  -4.015  1.00  0.00           H  
HETATM   58  H   UNL     1       3.848   0.509  -2.328  1.00  0.00           H  
HETATM   59  H   UNL     1       4.403  -0.979  -1.526  1.00  0.00           H  
HETATM   60  H   UNL     1       1.458   1.900  -1.174  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.255   1.713  -1.642  1.00  0.00           H  
HETATM   62  H   UNL     1       0.856   3.741   0.376  1.00  0.00           H  
HETATM   63  H   UNL     1       1.113   4.798  -1.781  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.330   3.966  -2.447  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.192   6.366  -0.595  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.448   5.924  -1.792  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.377   5.324   1.082  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.689   4.997  -0.087  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.633   3.155   2.097  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.367   2.871   1.789  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.967   0.715   2.044  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.612   1.022   1.641  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.325   0.270  -1.088  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.951   0.669   1.456  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.844   1.765   0.054  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.911   0.503  -0.174  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.762  -0.147  -1.372  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.452  -1.313   1.356  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.785  -2.029  -0.236  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.642  -4.015   0.687  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.505  -5.225   0.755  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.388  -3.993   0.469  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.425  -1.563   0.111  1.00  0.00           H  
CONECT    1    3    2   39                                            
CONECT    2    1   40   41   42                                       
CONECT    3    5    4    1   43                                       
CONECT    4    3   44   45   46                                       
CONECT    5    6    6    7    3                                       
CONECT    6    5    5                                                 
CONECT    7    8    5   47                                            
CONECT    8    9   11    7   48                                       
CONECT    9   17    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    8   16   12   49                                       
CONECT   12   11   13   50   51                                       
CONECT   13   12   14   52   53                                       
CONECT   14   15   13   54   55                                       
CONECT   15   16   14   56   57                                       
CONECT   16   11   15   58   59                                       
CONECT   17   18   25    9                                            
CONECT   18   19   17   60   61                                       
CONECT   19   20   23   18   62                                       
CONECT   20   21   19   63   64                                       
CONECT   21   22   20   65   66                                       
CONECT   22   21   23   67   68                                       
CONECT   23   22   19   24                                            
CONECT   24   23   25   69   70                                       
CONECT   25   24   26   17   71                                       
CONECT   26   25   28   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   72                                            
CONECT   29   30   28   38   73                                       
CONECT   30   31   29   74   75                                       
CONECT   31   30   32   76   77                                       
CONECT   32   31   33   78   79                                       
CONECT   33   32   38   38   34                                       
CONECT   34   33   35   35   80                                       
CONECT   35   34   34   36   81                                       
CONECT   36   37   37   35   82                                       
CONECT   37   38   36   36   83                                       
CONECT   38   29   33   33   37                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
