COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.744   0.214   0.534  1.00  0.00           C  
HETATM    2  O   UNL     1       5.015  -0.127  -0.600  1.00  0.00           O  
HETATM    3  O   UNL     1       5.721   0.621   1.366  1.00  0.00           O  
HETATM    4  C   UNL     1       7.076   0.621   0.843  1.00  0.00           C  
HETATM    5  C   UNL     1       7.154   1.551  -0.370  1.00  0.00           C  
HETATM    6  C   UNL     1       8.041   1.110   1.924  1.00  0.00           C  
HETATM    7  C   UNL     1       7.459  -0.799   0.422  1.00  0.00           C  
HETATM    8  N   UNL     1       3.465   0.190   0.958  1.00  0.00           N  
HETATM    9  C   UNL     1       2.402  -0.253   0.052  1.00  0.00           C  
HETATM   10  C   UNL     1       2.292  -1.778   0.102  1.00  0.00           C  
HETATM   11  C   UNL     1       1.184  -2.241  -0.845  1.00  0.00           C  
HETATM   12  C   UNL     1       3.623  -2.399  -0.328  1.00  0.00           C  
HETATM   13  C   UNL     1       1.074  -3.766  -0.796  1.00  0.00           C  
HETATM   14  C   UNL     1       3.513  -3.924  -0.279  1.00  0.00           C  
HETATM   15  C   UNL     1       2.405  -4.387  -1.226  1.00  0.00           C  
HETATM   16  C   UNL     1       1.092   0.359   0.478  1.00  0.00           C  
HETATM   17  O   UNL     1       0.870   0.558   1.654  1.00  0.00           O  
HETATM   18  N   UNL     1       0.168   0.685  -0.447  1.00  0.00           N  
HETATM   19  C   UNL     1       0.215   0.434  -1.906  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.128   1.370  -0.235  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.262   2.332  -1.435  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.373   1.713  -2.541  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.008   3.067  -1.913  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.208   4.318  -2.770  1.00  0.00           C  
HETATM   25  C   UNL     1       1.193   3.102  -0.966  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.257   0.371  -0.234  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.092  -0.730  -0.716  1.00  0.00           O  
HETATM   28  N   UNL     1      -3.448   0.700   0.302  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.545  -0.271   0.303  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.511   0.051   1.445  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.799  -0.142   2.785  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.044   1.109   3.267  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.719   0.039   4.003  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.548   0.770   4.681  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.111   0.743  -1.747  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.279  -0.200  -1.012  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.382  -2.242  -0.664  1.00  0.00           O  
HETATM   38  N   UNL     1      -6.870  -1.231  -2.579  1.00  0.00           N  
HETATM   39  C   UNL     1      -6.213  -1.294  -1.403  1.00  0.00           C  
HETATM   40  H   UNL     1       6.881   2.562  -0.070  1.00  0.00           H  
HETATM   41  H   UNL     1       8.171   1.550  -0.763  1.00  0.00           H  
HETATM   42  H   UNL     1       6.467   1.202  -1.140  1.00  0.00           H  
HETATM   43  H   UNL     1       7.985   0.447   2.788  1.00  0.00           H  
HETATM   44  H   UNL     1       9.058   1.110   1.531  1.00  0.00           H  
HETATM   45  H   UNL     1       7.768   2.122   2.224  1.00  0.00           H  
HETATM   46  H   UNL     1       6.772  -1.148  -0.349  1.00  0.00           H  
HETATM   47  H   UNL     1       8.476  -0.800   0.029  1.00  0.00           H  
HETATM   48  H   UNL     1       7.404  -1.462   1.285  1.00  0.00           H  
HETATM   49  H   UNL     1       3.248   0.467   1.862  1.00  0.00           H  
HETATM   50  H   UNL     1       2.636   0.062  -0.965  1.00  0.00           H  
HETATM   51  H   UNL     1       2.056  -2.092   1.118  1.00  0.00           H  
HETATM   52  H   UNL     1       0.236  -1.798  -0.539  1.00  0.00           H  
HETATM   53  H   UNL     1       1.419  -1.926  -1.862  1.00  0.00           H  
HETATM   54  H   UNL     1       3.859  -2.084  -1.345  1.00  0.00           H  
HETATM   55  H   UNL     1       4.413  -2.069   0.346  1.00  0.00           H  
HETATM   56  H   UNL     1       0.838  -4.080   0.221  1.00  0.00           H  
HETATM   57  H   UNL     1       0.284  -4.096  -1.471  1.00  0.00           H  
HETATM   58  H   UNL     1       4.461  -4.367  -0.585  1.00  0.00           H  
HETATM   59  H   UNL     1       3.277  -4.239   0.738  1.00  0.00           H  
HETATM   60  H   UNL     1       2.327  -5.474  -1.191  1.00  0.00           H  
HETATM   61  H   UNL     1       2.641  -4.072  -2.243  1.00  0.00           H  
HETATM   62  H   UNL     1       1.245   0.287  -2.234  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.394  -0.432  -2.163  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.115   1.927   0.702  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.251   2.735  -1.652  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.702   1.656  -3.578  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.778   5.057  -2.207  1.00  0.00           H  
HETATM   68  H   UNL     1       0.763   4.735  -3.037  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.752   4.054  -3.678  1.00  0.00           H  
HETATM   70  H   UNL     1       1.518   2.084  -0.754  1.00  0.00           H  
HETATM   71  H   UNL     1       2.008   3.654  -1.433  1.00  0.00           H  
HETATM   72  H   UNL     1       0.908   3.594  -0.036  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.580   1.581   0.687  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.142  -1.274   0.440  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.846   1.085   1.357  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.372  -0.615   1.391  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.202  -1.054   2.820  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.962   1.035   3.160  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.447   2.041   2.872  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.580   0.679   3.809  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.989  -0.898   4.490  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.882   0.109   5.234  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.853   1.644   5.256  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.735  -0.474  -3.169  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.477  -1.943  -2.834  1.00  0.00           H  
CONECT    1    8    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5    6    7                                       
CONECT    5    4   40   41   42                                       
CONECT    6    4   43   44   45                                       
CONECT    7    4   46   47   48                                       
CONECT    8    1    9   49                                            
CONECT    9    8   10   16   50                                       
CONECT   10    9   12   11   51                                       
CONECT   11   10   13   52   53                                       
CONECT   12   10   14   54   55                                       
CONECT   13   11   15   56   57                                       
CONECT   14   12   15   58   59                                       
CONECT   15   13   14   60   61                                       
CONECT   16    9   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   20                                            
CONECT   19   18   22   62   63                                       
CONECT   20   18   26   21   64                                       
CONECT   21   20   22   23   65                                       
CONECT   22   19   21   23   66                                       
CONECT   23   21   22   25   24                                       
CONECT   24   23   67   68   69                                       
CONECT   25   23   70   71   72                                       
CONECT   26   20   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   73                                            
CONECT   29   28   30   36   74                                       
CONECT   30   29   31   75   76                                       
CONECT   31   30   33   32   77                                       
CONECT   32   31   34   78   79                                       
CONECT   33   31   34   80   81                                       
CONECT   34   32   33   82   83                                       
CONECT   35   36   36                                                 
CONECT   36   29   35   35   39                                       
CONECT   37   39   39                                                 
CONECT   38   39   84   85                                            
CONECT   39   36   37   37   38                                       
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
