COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.658   0.980  -0.341  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.549   1.426  -0.117  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.389   2.741   0.131  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.482   3.608   0.036  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.779   4.471   1.083  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.923   4.475   2.323  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.859   5.327   0.985  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.644   5.324  -0.153  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.351   4.466  -1.197  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.269   3.613  -1.109  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.947   2.682  -2.249  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.381   0.528  -0.110  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.097   1.021   0.146  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.076   0.184   0.143  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.528  -0.852  -0.356  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.748  -1.382  -0.604  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.817  -2.698  -0.937  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.875  -3.668   0.060  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.863  -3.301   1.369  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.926  -4.350   2.338  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.901  -3.747   3.744  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.946  -5.008  -0.285  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.959  -5.379  -1.617  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.900  -4.416  -2.607  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.836  -3.077  -2.270  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.449  -1.623  -0.340  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.252  -1.109  -0.098  1.00  0.00           C  
HETATM   28  N   UNL     1       0.846  -1.946  -0.090  1.00  0.00           N  
HETATM   29  C   UNL     1       2.127  -1.419   0.120  1.00  0.00           C  
HETATM   30  C   UNL     1       3.069  -2.149   0.833  1.00  0.00           C  
HETATM   31  C   UNL     1       4.332  -1.630   1.040  1.00  0.00           C  
HETATM   32  C   UNL     1       4.659  -0.378   0.535  1.00  0.00           C  
HETATM   33  C   UNL     1       3.717   0.352  -0.177  1.00  0.00           C  
HETATM   34  C   UNL     1       2.456  -0.170  -0.389  1.00  0.00           C  
HETATM   35  N   UNL     1       5.938   0.148   0.746  1.00  0.00           N  
HETATM   36  C   UNL     1       6.069   1.477   0.131  1.00  0.00           C  
HETATM   37  C   UNL     1       7.452   2.050   0.450  1.00  0.00           C  
HETATM   38  N   UNL     1       8.487   1.136  -0.052  1.00  0.00           N  
HETATM   39  C   UNL     1       8.356  -0.192   0.563  1.00  0.00           C  
HETATM   40  C   UNL     1       6.973  -0.766   0.244  1.00  0.00           C  
HETATM   41  C   UNL     1       9.830   1.688   0.169  1.00  0.00           C  
HETATM   42  C   UNL     1      10.860   0.841  -0.580  1.00  0.00           C  
HETATM   43  O   UNL     1      10.633   0.949  -1.987  1.00  0.00           O  
HETATM   44  H   UNL     1      -2.516   3.086   0.376  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.112   5.193   2.203  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.531   4.755   3.183  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.507   3.480   2.481  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.090   5.998   1.799  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.488   5.994  -0.227  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.967   4.466  -2.085  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.570   1.791  -2.178  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.141   3.187  -3.196  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.896   2.396  -2.199  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.943   2.072   0.343  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.847  -4.916   2.201  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.069  -5.012   2.211  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.949  -4.548   4.483  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.980  -3.181   3.881  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.758  -3.085   3.870  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.992  -5.762   0.486  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.014  -6.424  -1.884  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.910  -4.710  -3.646  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.795  -2.326  -3.045  1.00  0.00           H  
HETATM   64  H   UNL     1       0.730  -2.899  -0.231  1.00  0.00           H  
HETATM   65  H   UNL     1       2.815  -3.122   1.225  1.00  0.00           H  
HETATM   66  H   UNL     1       5.064  -2.197   1.595  1.00  0.00           H  
HETATM   67  H   UNL     1       3.971   1.325  -0.570  1.00  0.00           H  
HETATM   68  H   UNL     1       1.724   0.396  -0.947  1.00  0.00           H  
HETATM   69  H   UNL     1       5.953   1.390  -0.950  1.00  0.00           H  
HETATM   70  H   UNL     1       5.300   2.139   0.528  1.00  0.00           H  
HETATM   71  H   UNL     1       7.562   3.023  -0.029  1.00  0.00           H  
HETATM   72  H   UNL     1       7.558   2.162   1.529  1.00  0.00           H  
HETATM   73  H   UNL     1       9.125  -0.855   0.166  1.00  0.00           H  
HETATM   74  H   UNL     1       8.473  -0.106   1.644  1.00  0.00           H  
HETATM   75  H   UNL     1       6.863  -1.738   0.723  1.00  0.00           H  
HETATM   76  H   UNL     1       6.867  -0.878  -0.835  1.00  0.00           H  
HETATM   77  H   UNL     1       9.866   2.714  -0.199  1.00  0.00           H  
HETATM   78  H   UNL     1      10.056   1.677   1.235  1.00  0.00           H  
HETATM   79  H   UNL     1      11.863   1.196  -0.345  1.00  0.00           H  
HETATM   80  H   UNL     1      10.763  -0.202  -0.276  1.00  0.00           H  
HETATM   81  H   UNL     1      11.251   0.436  -2.526  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3    2    4   44                                            
CONECT    4    3    5    5   10                                       
CONECT    5    4    4    6    7                                       
CONECT    6    5   45   46   47                                       
CONECT    7    5    8    8   48                                       
CONECT    8    7    7    9   49                                       
CONECT    9    8   10   10   50                                       
CONECT   10    4    9    9   11                                       
CONECT   11   10   51   52   53                                       
CONECT   12    2   13   13   15                                       
CONECT   13   12   12   14   54                                       
CONECT   14   13   27   27                                            
CONECT   15   12   16   26   26                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   18   25                                       
CONECT   18   17   17   19   22                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   55   56                                       
CONECT   21   20   57   58   59                                       
CONECT   22   18   23   23   60                                       
CONECT   23   22   22   24   61                                       
CONECT   24   23   25   25   62                                       
CONECT   25   17   24   24   63                                       
CONECT   26   15   15   27                                            
CONECT   27   14   14   26   28                                       
CONECT   28   27   29   64                                            
CONECT   29   28   30   30   34                                       
CONECT   30   29   29   31   65                                       
CONECT   31   30   32   32   66                                       
CONECT   32   31   31   33   35                                       
CONECT   33   32   34   34   67                                       
CONECT   34   29   33   33   68                                       
CONECT   35   32   36   40                                            
CONECT   36   35   37   69   70                                       
CONECT   37   36   38   71   72                                       
CONECT   38   37   39   41                                            
CONECT   39   38   40   73   74                                       
CONECT   40   35   39   75   76                                       
CONECT   41   38   42   77   78                                       
CONECT   42   41   43   79   80                                       
CONECT   43   42   81                                                 
CONECT   44    3                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   43                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
