COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   1      11.604   2.478  -2.328  1.00  0.00           O  
HETATM    2  C   UNK A   1      10.484   3.042  -1.849  1.00  0.00           C  
HETATM    3  O   UNK A   1      10.139   4.131  -2.243  1.00  0.00           O  
HETATM    4  C   UNK A   1       9.656   2.317  -0.818  1.00  0.00           C  
HETATM    5  C   UNK A   1       8.444   3.173  -0.444  1.00  0.00           C  
HETATM    6  C   UNK A   1       7.604   2.437   0.602  1.00  0.00           C  
HETATM    7  C   UNK A   1       6.480   3.329   1.061  1.00  0.00           C  
HETATM    8  O   UNK A   1       6.752   4.510   1.637  1.00  0.00           O  
HETATM    9  O   UNK A   1       5.333   2.980   0.911  1.00  0.00           O  
HETATM   10  N   UNK A   1       7.050   1.216   0.012  1.00  0.00           N  
HETATM   11  C   UNK A   0       6.720   0.176   0.802  1.00  0.00           C  
HETATM   12  O   UNK A   0       6.882   0.250   2.005  1.00  0.00           O  
HETATM   13  N   UNK A   1       6.209  -0.948   0.260  1.00  0.00           N  
HETATM   14  C   UNK A   1       5.851  -2.079   1.119  1.00  0.00           C  
HETATM   15  C   UNK A   1       7.071  -2.927   1.369  1.00  0.00           C  
HETATM   16  O   UNK A   1       6.980  -4.025   2.135  1.00  0.00           O  
HETATM   17  O   UNK A   1       8.132  -2.618   0.879  1.00  0.00           O  
HETATM   18  C   UNK A   1       4.776  -2.922   0.429  1.00  0.00           C  
HETATM   19  C   UNK A   1       3.494  -2.099   0.288  1.00  0.00           C  
HETATM   20  C   UNK A   1       2.420  -2.942  -0.402  1.00  0.00           C  
HETATM   21  C   UNK A   1       1.138  -2.118  -0.543  1.00  0.00           C  
HETATM   22  N   UNK A   1       0.109  -2.926  -1.203  1.00  0.00           N  
HETATM   23  C   UNK A   1      -1.130  -3.179  -0.722  1.00  0.00           C  
HETATM   24  N   UNK A   1       0.227  -3.512  -2.343  1.00  0.00           N  
HETATM   25  N   UNK A   1      -0.859  -4.138  -2.635  1.00  0.00           N  
HETATM   26  C   UNK A   1      -1.741  -3.958  -1.645  1.00  0.00           C  
HETATM   27  C   UNK A   1      -3.141  -4.511  -1.574  1.00  0.00           C  
HETATM   28  O   UNK A   1      -3.759  -4.088  -0.357  1.00  0.00           O  
HETATM   29  C   UNK A   1      -5.097  -4.561  -0.189  1.00  0.00           C  
HETATM   30  C   UNK A   1      -5.656  -4.049   1.140  1.00  0.00           C  
HETATM   31  O   UNK A   1      -5.761  -2.625   1.096  1.00  0.00           O  
HETATM   32  C   UNK A   1      -6.276  -2.042   2.295  1.00  0.00           C  
HETATM   33  C   UNK A   1      -6.344  -0.522   2.135  1.00  0.00           C  
HETATM   34  N   UNK A   1      -7.316  -0.184   1.092  1.00  0.00           N  
HETATM   35  C   UNK A   1      -7.549   1.131   0.770  1.00  0.00           C  
HETATM   36  C   UNK A   1      -6.959   2.148   1.521  1.00  0.00           C  
HETATM   37  C   UNK A   1      -7.182   3.454   1.212  1.00  0.00           C  
HETATM   38  C   UNK A   1      -8.015   3.803   0.126  1.00  0.00           C  
HETATM   39  N   UNK A   1      -8.228   5.094  -0.169  1.00  0.00           N1+
HETATM   40  O   UNK A   1      -7.703   5.965   0.500  1.00  0.00           O  
HETATM   41  O   UNK A   1      -8.946   5.394  -1.105  1.00  0.00           O  
HETATM   42  C   UNK A   1      -8.619   2.800  -0.644  1.00  0.00           C  
HETATM   43  C   UNK A   1      -8.385   1.455  -0.329  1.00  0.00           C  
HETATM   44  N   UNK A   1      -8.951   0.483  -1.058  1.00  0.00           N1+
HETATM   45  O   UNK A   1     -10.046   0.658  -1.561  1.00  0.00           O  
HETATM   46  O   UNK A   1      -8.370  -0.576  -1.216  1.00  0.00           O  
HETATM   47  H   UNK A   1      12.101   2.981  -2.987  1.00  0.00           H  
HETATM   48  H   UNK A   1       9.317   1.366  -1.229  1.00  0.00           H  
HETATM   49  H   UNK A   1      10.261   2.135   0.070  1.00  0.00           H  
HETATM   50  H   UNK A   1       8.784   4.124  -0.034  1.00  0.00           H  
HETATM   51  H   UNK A   1       7.840   3.355  -1.333  1.00  0.00           H  
HETATM   52  H   UNK A   1       8.232   2.176   1.454  1.00  0.00           H  
HETATM   53  H   UNK A   1       6.920   1.157  -0.947  1.00  0.00           H  
HETATM   54  H   UNK A   1       5.998   5.048   1.914  1.00  0.00           H  
HETATM   55  H   UNK A   1       6.080  -1.007  -0.700  1.00  0.00           H  
HETATM   56  H   UNK A   1       5.466  -1.706   2.068  1.00  0.00           H  
HETATM   57  H   UNK A   1       5.127  -3.221  -0.558  1.00  0.00           H  
HETATM   58  H   UNK A   1       4.573  -3.811   1.027  1.00  0.00           H  
HETATM   59  H   UNK A   1       7.789  -4.537   2.267  1.00  0.00           H  
HETATM   60  H   UNK A   1       3.144  -1.800   1.276  1.00  0.00           H  
HETATM   61  H   UNK A   1       3.698  -1.210  -0.310  1.00  0.00           H  
HETATM   62  H   UNK A   1       2.771  -3.241  -1.390  1.00  0.00           H  
HETATM   63  H   UNK A   1       2.217  -3.831   0.196  1.00  0.00           H  
HETATM   64  H   UNK A   1       0.787  -1.820   0.445  1.00  0.00           H  
HETATM   65  H   UNK A   1       1.341  -1.230  -1.141  1.00  0.00           H  
HETATM   66  H   UNK A   1      -1.547  -2.830   0.211  1.00  0.00           H  
HETATM   67  H   UNK A   1      -3.720  -4.145  -2.422  1.00  0.00           H  
HETATM   68  H   UNK A   1      -3.103  -5.600  -1.602  1.00  0.00           H  
HETATM   69  H   UNK A   1      -5.716  -4.196  -1.008  1.00  0.00           H  
HETATM   70  H   UNK A   1      -5.100  -5.651  -0.189  1.00  0.00           H  
HETATM   71  H   UNK A   1      -6.642  -4.481   1.310  1.00  0.00           H  
HETATM   72  H   UNK A   1      -4.988  -4.339   1.951  1.00  0.00           H  
HETATM   73  H   UNK A   1      -7.275  -2.432   2.488  1.00  0.00           H  
HETATM   74  H   UNK A   1      -5.620  -2.290   3.130  1.00  0.00           H  
HETATM   75  H   UNK A   1      -6.652  -0.071   3.078  1.00  0.00           H  
HETATM   76  H   UNK A   1      -5.362  -0.142   1.854  1.00  0.00           H  
HETATM   77  H   UNK A   1      -7.795  -0.889   0.628  1.00  0.00           H  
HETATM   78  H   UNK A   1      -6.320   1.897   2.355  1.00  0.00           H  
HETATM   79  H   UNK A   1      -6.718   4.231   1.803  1.00  0.00           H  
HETATM   80  H   UNK A   1      -9.257   3.062  -1.475  1.00  0.00           H  
HETATM   81  H   UNK A   1      -7.886   6.881   0.250  1.00  0.00           H  
HETATM   82  H   UNK A   1     -10.414  -0.072  -2.078  1.00  0.00           H  
CONECT    1    2   47                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   48   49                                       
CONECT    5    4    6   50   51                                       
CONECT    6    5    7   10   52                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   54                                                 
CONECT    9    7    7                                                 
CONECT   10    6   11   53                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   55                                            
CONECT   14   13   15   18   56                                       
CONECT   15   14   16   17   17                                       
CONECT   16   15   59                                                 
CONECT   17   15   15                                                 
CONECT   18   14   19   57   58                                       
CONECT   19   18   20   60   61                                       
CONECT   20   19   21   62   63                                       
CONECT   21   20   22   64   65                                       
CONECT   22   21   23   24                                            
CONECT   23   22   26   26   66                                       
CONECT   24   22   25   25                                            
CONECT   25   24   24   26                                            
CONECT   26   23   23   25   27                                       
CONECT   27   26   28   67   68                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   69   70                                       
CONECT   30   29   31   71   72                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   73   74                                       
CONECT   33   32   34   75   76                                       
CONECT   34   33   35   77                                            
CONECT   35   34   36   43   43                                       
CONECT   36   35   37   37   78                                       
CONECT   37   36   36   38   79                                       
CONECT   38   37   39   42   42                                       
CONECT   39   38   40   41   41                                       
CONECT   40   39   81                                                 
CONECT   41   39   39                                                 
CONECT   42   38   38   43   80                                       
CONECT   43   35   35   42   44                                       
CONECT   44   43   45   46   46                                       
CONECT   45   44   82                                                 
CONECT   46   44   44                                                 
CONECT   47    1                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53   10                                                      
CONECT   54    8                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   16                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   42                                                      
CONECT   81   40                                                      
CONECT   82   45                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
