COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.024  -1.398  -0.258  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.453  -2.703  -0.933  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.734  -3.828  -0.319  1.00  0.00           N  
HETATM    4  C   UNL     1      -9.175  -5.108  -0.889  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.281  -3.661  -0.461  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.851  -2.356   0.213  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.570  -1.231  -0.401  1.00  0.00           N  
HETATM    8  C   UNL     1      -7.129   0.049   0.169  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.670   0.302  -0.214  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.210   1.636   0.379  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.813   1.878   0.012  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.192   3.000   0.427  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.790   3.809   1.104  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.755   3.249   0.049  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.360   4.545   0.504  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.865   2.188   0.701  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.917   2.343   2.222  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.128   1.208   2.878  1.00  0.00           C  
HETATM   19  N   UNL     1       0.515   2.358   0.240  1.00  0.00           N  
HETATM   20  C   UNL     1       1.361   1.309   0.246  1.00  0.00           C  
HETATM   21  O   UNL     1       0.980   0.225   0.634  1.00  0.00           O  
HETATM   22  C   UNL     1       2.781   1.483  -0.229  1.00  0.00           C  
HETATM   23  C   UNL     1       2.778   1.946  -1.687  1.00  0.00           C  
HETATM   24  C   UNL     1       4.212   2.243  -2.131  1.00  0.00           C  
HETATM   25  C   UNL     1       4.223   2.586  -3.622  1.00  0.00           C  
HETATM   26  C   UNL     1       4.759   3.427  -1.331  1.00  0.00           C  
HETATM   27  N   UNL     1       3.491   0.206  -0.124  1.00  0.00           N  
HETATM   28  C   UNL     1       4.833   0.190   0.003  1.00  0.00           C  
HETATM   29  O   UNL     1       5.453   1.234   0.031  1.00  0.00           O  
HETATM   30  O   UNL     1       5.486  -0.984   0.100  1.00  0.00           O  
HETATM   31  C   UNL     1       6.930  -0.926   0.234  1.00  0.00           C  
HETATM   32  C   UNL     1       7.483  -2.325   0.328  1.00  0.00           C  
HETATM   33  C   UNL     1       7.849  -3.002  -0.820  1.00  0.00           C  
HETATM   34  C   UNL     1       8.356  -4.285  -0.734  1.00  0.00           C  
HETATM   35  C   UNL     1       8.497  -4.891   0.500  1.00  0.00           C  
HETATM   36  C   UNL     1       8.132  -4.214   1.648  1.00  0.00           C  
HETATM   37  C   UNL     1       7.629  -2.929   1.563  1.00  0.00           C  
HETATM   38  H   UNL     1      -9.534  -0.559  -0.731  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.284  -1.432   0.800  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.526  -2.843  -0.803  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.217  -2.657  -1.996  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.983  -5.114  -1.962  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.627  -5.924  -0.417  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.242  -5.237  -0.710  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.770  -4.500   0.012  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.021  -3.626  -1.519  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.087  -2.401   1.276  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.778  -2.215   0.083  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.752   0.855  -0.221  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.219   0.014   1.255  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.047  -0.503   0.176  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.580   0.338  -1.300  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.833   2.441  -0.011  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.300   1.600   1.465  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.335   1.231  -0.529  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.649   3.196  -1.034  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.429   4.664   1.461  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.221   1.196   0.425  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.479   3.300   2.505  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.954   2.306   2.556  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.567   0.251   2.595  1.00  0.00           H  
HETATM   62  H   UNL     1       0.908   1.245   2.544  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.165   1.318   3.962  1.00  0.00           H  
HETATM   64  H   UNL     1       0.820   3.225  -0.071  1.00  0.00           H  
HETATM   65  H   UNL     1       3.282   2.229   0.389  1.00  0.00           H  
HETATM   66  H   UNL     1       2.358   1.162  -2.316  1.00  0.00           H  
HETATM   67  H   UNL     1       2.175   2.850  -1.780  1.00  0.00           H  
HETATM   68  H   UNL     1       4.835   1.367  -1.954  1.00  0.00           H  
HETATM   69  H   UNL     1       3.600   3.463  -3.798  1.00  0.00           H  
HETATM   70  H   UNL     1       5.245   2.797  -3.938  1.00  0.00           H  
HETATM   71  H   UNL     1       3.834   1.743  -4.192  1.00  0.00           H  
HETATM   72  H   UNL     1       4.750   3.183  -0.268  1.00  0.00           H  
HETATM   73  H   UNL     1       5.780   3.638  -1.647  1.00  0.00           H  
HETATM   74  H   UNL     1       4.135   4.304  -1.507  1.00  0.00           H  
HETATM   75  H   UNL     1       2.996  -0.628  -0.146  1.00  0.00           H  
HETATM   76  H   UNL     1       7.356  -0.424  -0.635  1.00  0.00           H  
HETATM   77  H   UNL     1       7.189  -0.372   1.137  1.00  0.00           H  
HETATM   78  H   UNL     1       7.738  -2.528  -1.785  1.00  0.00           H  
HETATM   79  H   UNL     1       8.641  -4.814  -1.632  1.00  0.00           H  
HETATM   80  H   UNL     1       8.892  -5.894   0.567  1.00  0.00           H  
HETATM   81  H   UNL     1       8.242  -4.687   2.613  1.00  0.00           H  
HETATM   82  H   UNL     1       7.347  -2.398   2.460  1.00  0.00           H  
CONECT    1    2    7   38   39                                       
CONECT    2    1    3   40   41                                       
CONECT    3    2    4    5                                            
CONECT    4    3   42   43   44                                       
CONECT    5    3    6   45   46                                       
CONECT    6    5    7   47   48                                       
CONECT    7    1    6    8                                            
CONECT    8    7    9   49   50                                       
CONECT    9    8   10   51   52                                       
CONECT   10    9   11   53   54                                       
CONECT   11   10   12   55                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   16   56                                       
CONECT   15   14   57                                                 
CONECT   16   14   17   19   58                                       
CONECT   17   16   18   59   60                                       
CONECT   18   17   61   62   63                                       
CONECT   19   16   20   64                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   27   65                                       
CONECT   23   22   24   66   67                                       
CONECT   24   23   25   26   68                                       
CONECT   25   24   69   70   71                                       
CONECT   26   24   72   73   74                                       
CONECT   27   22   28   75                                            
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31                                                 
CONECT   31   30   32   76   77                                       
CONECT   32   31   33   33   37                                       
CONECT   33   32   32   34   78                                       
CONECT   34   33   35   35   79                                       
CONECT   35   34   34   36   80                                       
CONECT   36   35   37   37   81                                       
CONECT   37   32   36   36   82                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
