COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.755  -0.356  -1.698  1.00  0.00           C  
HETATM    2  O   UNL     1     -13.108  -0.424  -1.243  1.00  0.00           O  
HETATM    3  N   UNL     1       5.222  -4.325  -0.395  1.00  0.00           N  
HETATM    4  N   UNL     1       4.185   3.989   0.300  1.00  0.00           N  
HETATM    5  C   UNL     1       4.748  -2.076  -1.115  1.00  0.00           C  
HETATM    6  C   UNL     1       3.903  -0.980  -1.152  1.00  0.00           C  
HETATM    7  C   UNL     1       2.669  -1.036  -0.486  1.00  0.00           C  
HETATM    8  C   UNL     1       2.292  -2.192   0.195  1.00  0.00           C  
HETATM    9  C   UNL     1       3.139  -3.279   0.221  1.00  0.00           C  
HETATM   10  C   UNL     1       4.367  -3.223  -0.430  1.00  0.00           C  
HETATM   11  C   UNL     1       1.778   0.149  -0.498  1.00  0.00           C  
HETATM   12  C   UNL     1       2.317   1.325  -0.991  1.00  0.00           C  
HETATM   13  C   UNL     1       3.704   1.314  -1.501  1.00  0.00           C  
HETATM   14  O   UNL     1       4.269   0.131  -1.845  1.00  0.00           O  
HETATM   15  C   UNL     1       4.367   2.470  -1.570  1.00  0.00           C  
HETATM   16  C   UNL     1       3.752   3.750  -1.083  1.00  0.00           C  
HETATM   17  C   UNL     1       2.254   3.725  -1.124  1.00  0.00           C  
HETATM   18  C   UNL     1       1.565   2.584  -1.062  1.00  0.00           C  
HETATM   19  C   UNL     1       0.391   0.077  -0.012  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.671   0.063  -0.921  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.959  -0.003  -0.474  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.232  -0.057   0.898  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.189  -0.044   1.822  1.00  0.00           C  
HETATM   24  C   UNL     1       0.128   0.017   1.375  1.00  0.00           C  
HETATM   25  C   UNL     1       1.503   5.027  -1.237  1.00  0.00           C  
HETATM   26  C   UNL     1       2.734  -4.531   0.956  1.00  0.00           C  
HETATM   27  C   UNL     1       1.241   0.026   2.342  1.00  0.00           C  
HETATM   28  O   UNL     1       0.985  -0.032   3.664  1.00  0.00           O  
HETATM   29  O   UNL     1       2.388   0.084   1.947  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.630  -0.128   1.368  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.870  -0.175   2.559  1.00  0.00           O  
HETATM   32  N   UNL     1      -4.641  -0.140   0.476  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.028  -0.210   0.942  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.971  -0.210  -0.262  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.420  -0.283   0.225  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.363  -0.283  -0.980  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.812  -0.356  -0.493  1.00  0.00           C  
HETATM   38  C   UNL     1       5.488   4.667   0.335  1.00  0.00           C  
HETATM   39  C   UNL     1       5.905   4.897   1.789  1.00  0.00           C  
HETATM   40  C   UNL     1       6.516  -4.270  -1.079  1.00  0.00           C  
HETATM   41  C   UNL     1       7.251  -5.598  -0.887  1.00  0.00           C  
HETATM   42  H   UNL     1     -11.540  -1.219  -2.328  1.00  0.00           H  
HETATM   43  H   UNL     1     -11.611   0.559  -2.272  1.00  0.00           H  
HETATM   44  H   UNL     1     -11.028   0.507   0.137  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.956  -1.271   0.081  1.00  0.00           H  
HETATM   46  H   UNL     1       4.959  -5.127   0.082  1.00  0.00           H  
HETATM   47  H   UNL     1       6.358  -4.094  -2.143  1.00  0.00           H  
HETATM   48  H   UNL     1       7.114  -3.460  -0.661  1.00  0.00           H  
HETATM   49  H   UNL     1       3.491   4.512   0.811  1.00  0.00           H  
HETATM   50  H   UNL     1       6.234   4.047  -0.163  1.00  0.00           H  
HETATM   51  H   UNL     1       5.411   5.626  -0.178  1.00  0.00           H  
HETATM   52  H   UNL     1       5.701  -2.041  -1.622  1.00  0.00           H  
HETATM   53  H   UNL     1       1.338  -2.236   0.701  1.00  0.00           H  
HETATM   54  H   UNL     1       2.199  -5.194   0.277  1.00  0.00           H  
HETATM   55  H   UNL     1       3.624  -5.036   1.331  1.00  0.00           H  
HETATM   56  H   UNL     1       2.086  -4.268   1.793  1.00  0.00           H  
HETATM   57  H   UNL     1       0.485   2.586  -1.065  1.00  0.00           H  
HETATM   58  H   UNL     1       5.365   2.484  -1.984  1.00  0.00           H  
HETATM   59  H   UNL     1       1.351   5.269  -2.289  1.00  0.00           H  
HETATM   60  H   UNL     1       0.536   4.933  -0.742  1.00  0.00           H  
HETATM   61  H   UNL     1       2.079   5.821  -0.761  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.471   0.105  -1.982  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.773  -0.014  -1.184  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.401  -0.085   2.880  1.00  0.00           H  
HETATM   65  H   UNL     1       1.747  -0.023   4.259  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.450  -0.102  -0.474  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.172  -1.125   1.517  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.243   0.653   1.573  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.827   0.705  -0.837  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.756  -1.073  -0.893  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.564  -1.198   0.799  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.635   0.580   0.855  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.219   0.632  -1.555  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.148  -1.146  -1.610  1.00  0.00           H  
HETATM   75  H   UNL     1       5.159   5.517   2.287  1.00  0.00           H  
HETATM   76  H   UNL     1       5.981   3.938   2.301  1.00  0.00           H  
HETATM   77  H   UNL     1       6.871   5.401   1.814  1.00  0.00           H  
HETATM   78  H   UNL     1       7.410  -5.775   0.177  1.00  0.00           H  
HETATM   79  H   UNL     1       6.654  -6.408  -1.304  1.00  0.00           H  
HETATM   80  H   UNL     1       8.214  -5.557  -1.396  1.00  0.00           H  
HETATM   81  H   UNL     1     -13.763  -0.428  -1.955  1.00  0.00           H  
HETATM   82  H   UNL     1       4.106   4.570  -1.708  1.00  0.00           H  
CONECT    1    2   37   42   43                                       
CONECT    2    1   81                                                 
CONECT    3   10   40   46                                            
CONECT    4   16   38   49                                            
CONECT    5    6    6   10   52                                       
CONECT    6    5    5    7   14                                       
CONECT    7    6    8    8   11                                       
CONECT    8    7    7    9   53                                       
CONECT    9    8   10   10   26                                       
CONECT   10    3    5    9    9                                       
CONECT   11    7   12   12   19                                       
CONECT   12   11   11   13   18                                       
CONECT   13   12   14   15   15                                       
CONECT   14    6   13                                                 
CONECT   15   13   13   16   58                                       
CONECT   16    4   15   82   17                                       
CONECT   17   16   18   18   25                                       
CONECT   18   12   17   17   57                                       
CONECT   19   11   20   24   24                                       
CONECT   20   19   21   21   62                                       
CONECT   21   20   20   22   63                                       
CONECT   22   21   23   23   30                                       
CONECT   23   22   22   24   64                                       
CONECT   24   19   19   23   27                                       
CONECT   25   17   59   60   61                                       
CONECT   26    9   54   55   56                                       
CONECT   27   24   28   29   29                                       
CONECT   28   27   65                                                 
CONECT   29   27   27                                                 
CONECT   30   22   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   66                                            
CONECT   33   32   34   67   68                                       
CONECT   34   33   35   69   70                                       
CONECT   35   34   36   71   72                                       
CONECT   36   35   37   73   74                                       
CONECT   37    1   36   44   45                                       
CONECT   38    4   39   50   51                                       
CONECT   39   38   75   76   77                                       
CONECT   40    3   41   47   48                                       
CONECT   41   40   78   79   80                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44   37                                                      
CONECT   45   37                                                      
CONECT   46    3                                                      
CONECT   47   40                                                      
CONECT   48   40                                                      
CONECT   49    4                                                      
CONECT   50   38                                                      
CONECT   51   38                                                      
CONECT   52    5                                                      
CONECT   53    8                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   18                                                      
CONECT   58   15                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   28                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81    2                                                      
CONECT   82   16                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
