COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       9.988  -1.072  -1.579  1.00  0.00           N  
HETATM    2  C   UNL     1       1.781   0.511   0.991  1.00  0.00           C  
HETATM    3  C   UNL     1       0.194  -0.282  -0.653  1.00  0.00           C  
HETATM    4  N   UNL     1       7.906  -1.831  -0.924  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.032  -0.301   0.178  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.345   1.059  -0.271  1.00  0.00           O  
HETATM    7  C   UNL     1       9.139  -2.052  -1.327  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.294  -0.260  -2.886  1.00  0.00           O  
HETATM    9  C   UNL     1       5.056  -0.762   0.020  1.00  0.00           C  
HETATM   10  C   UNL     1       2.870  -0.516   0.675  1.00  0.00           C  
HETATM   11  N   UNL     1       7.633   1.623  -0.758  1.00  0.00           N  
HETATM   12  C   UNL     1       6.426   1.319  -0.375  1.00  0.00           C  
HETATM   13  O   UNL     1      -6.859   2.165  -2.394  1.00  0.00           O  
HETATM   14  C   UNL     1       8.326   0.487  -1.007  1.00  0.00           C  
HETATM   15  O   UNL     1       0.747   1.726   2.223  1.00  0.00           O  
HETATM   16  C   UNL     1       7.461  -0.591  -0.752  1.00  0.00           C  
HETATM   17  N   UNL     1       6.271  -0.035  -0.356  1.00  0.00           N  
HETATM   18  N   UNL     1      10.530   1.220  -1.701  1.00  0.00           N  
HETATM   19  C   UNL     1       9.633   0.200  -1.435  1.00  0.00           C  
HETATM   20  O   UNL     1       3.893   0.076  -0.154  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.114  -0.729   0.500  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.236  -1.613   0.319  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.494  -3.381   0.404  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.099  -4.638   0.598  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.847  -3.957  -0.744  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.159  -2.435  -0.399  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.631  -0.061  -1.114  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.272   2.112  -0.549  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.652   2.821   0.751  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.740   4.293   0.664  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.502   4.901   1.274  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.257   4.219   0.701  1.00  0.00           C  
HETATM   33  C   UNL     1       0.168   2.401   1.399  1.00  0.00           C  
HETATM   34  C   UNL     1       0.257   2.065  -0.068  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.516   1.479  -1.188  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.120   0.021  -1.496  1.00  0.00           C  
HETATM   37  C   UNL     1       3.603  -0.937   1.967  1.00  0.00           C  
HETATM   38  C   UNL     1       5.075  -1.103   1.527  1.00  0.00           C  
HETATM   39  N   UNL     1      -4.354  -1.319  -0.420  1.00  0.00           N  
HETATM   40  N   UNL     1      -4.430   3.361   1.381  1.00  0.00           N  
HETATM   41  N   UNL     1      -0.576   3.478   1.783  1.00  0.00           N  
HETATM   42  N   UNL     1       1.044   0.838  -0.237  1.00  0.00           N  
HETATM   43  N   UNL     1      -3.336  -2.820   0.816  1.00  0.00           N  
HETATM   44  N   UNL     1      -4.496  -5.601   1.388  1.00  0.00           N  
HETATM   45  N   UNL     1      -6.263  -4.875   0.005  1.00  0.00           N  
HETATM   46  N   UNL     1      -6.321  -2.767  -0.945  1.00  0.00           N  
HETATM   47  O   UNL     1      -4.114   4.626  -0.440  1.00  0.00           O  
HETATM   48  O   UNL     1       3.082  -2.174   2.459  1.00  0.00           O  
HETATM   49  O   UNL     1       5.510  -2.449   1.731  1.00  0.00           O  
HETATM   50  H   UNL     1       1.093   0.096   1.728  1.00  0.00           H  
HETATM   51  H   UNL     1       2.239   1.416   1.391  1.00  0.00           H  
HETATM   52  H   UNL     1       0.736  -1.219  -0.524  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.079  -0.162  -1.702  1.00  0.00           H  
HETATM   54  H   UNL     1       9.469  -3.072  -1.457  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.214  -0.222  -3.183  1.00  0.00           H  
HETATM   56  H   UNL     1       4.961  -1.672  -0.573  1.00  0.00           H  
HETATM   57  H   UNL     1       2.438  -1.386   0.181  1.00  0.00           H  
HETATM   58  H   UNL     1       5.661   2.035  -0.112  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.638   1.808  -2.842  1.00  0.00           H  
HETATM   60  H   UNL     1      10.259   2.145  -1.592  1.00  0.00           H  
HETATM   61  H   UNL     1      11.430   1.010  -1.996  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.793  -4.193  -1.210  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.021   0.001  -2.017  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.823   2.826  -1.239  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.341   3.637   0.534  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.128   2.110   1.428  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.470   5.966   1.043  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.525   4.765   2.355  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.552   3.525  -0.087  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.582   4.971   0.294  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.745   1.913  -0.468  1.00  0.00           H  
HETATM   72  H   UNL     1       0.741   2.884  -0.600  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.353   1.502  -0.490  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.707  -0.669  -0.891  1.00  0.00           H  
HETATM   75  H   UNL     1       3.517  -0.159   2.726  1.00  0.00           H  
HETATM   76  H   UNL     1       5.716  -0.407   2.068  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.135   3.068   2.258  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.654   3.742   2.713  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.924  -6.463   1.513  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.645  -5.415   1.815  1.00  0.00           H  
HETATM   81  H   UNL     1       3.507  -2.485   3.270  1.00  0.00           H  
HETATM   82  H   UNL     1       5.484  -2.735   2.654  1.00  0.00           H  
CONECT    1   19    7    7                                            
CONECT    2   10   42   50   51                                       
CONECT    3   42    5   52   53                                       
CONECT    4   16   16    7                                            
CONECT    5   21   21   21    3                                       
CONECT    6   28   27                                                 
CONECT    7    1    1    4   54                                       
CONECT    8   36   55                                                 
CONECT    9   38   17   20   56                                       
CONECT   10   37   20    2   57                                       
CONECT   11   14   12   12                                            
CONECT   12   11   11   17   58                                       
CONECT   13   35   59                                                 
CONECT   14   11   19   19   16                                       
CONECT   15   33   33                                                 
CONECT   16   14   17    4    4                                       
CONECT   17   12   16    9                                            
CONECT   18   19   60   61                                            
CONECT   19   18   14   14    1                                       
CONECT   20    9   10                                                 
CONECT   21   22    5    5    5                                       
CONECT   22   43   43   21   39                                       
CONECT   23   24   43   26   26                                       
CONECT   24   44   45   45   23                                       
CONECT   25   45   46   46   62                                       
CONECT   26   23   23   46   39                                       
CONECT   27    6   39   36   63                                       
CONECT   28   29    6   35   64                                       
CONECT   29   40   28   65   66                                       
CONECT   30   47   47   31   40                                       
CONECT   31   32   30   67   68                                       
CONECT   32   41   31   69   70                                       
CONECT   33   41   34   15   15                                       
CONECT   34   42   33   71   72                                       
CONECT   35   28   36   13   73                                       
CONECT   36   27   35    8   74                                       
CONECT   37   38   48   10   75                                       
CONECT   38   49   37    9   76                                       
CONECT   39   22   26   27                                            
CONECT   40   30   29   77                                            
CONECT   41   32   33   78                                            
CONECT   42    2   34    3                                            
CONECT   43   23   22   22                                            
CONECT   44   24   79   80                                            
CONECT   45   24   24   25                                            
CONECT   46   25   25   26                                            
CONECT   47   30   30                                                 
CONECT   48   37   81                                                 
CONECT   49   38   82                                                 
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   25                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   44                                                      
CONECT   80   44                                                      
CONECT   81   48                                                      
CONECT   82   49                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
