COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.075   1.698   0.923  1.00  0.00           O  
HETATM    2  C   UNL     1       3.523   1.225  -0.048  1.00  0.00           C  
HETATM    3  C   UNL     1       4.332   0.512  -1.101  1.00  0.00           C  
HETATM    4  O   UNL     1       5.744   0.503  -0.742  1.00  0.00           O  
HETATM    5  C   UNL     1       6.160  -0.760  -0.600  1.00  0.00           C  
HETATM    6  O   UNL     1       7.301  -1.053  -0.302  1.00  0.00           O  
HETATM    7  N   UNL     1       5.204  -1.673  -0.817  1.00  0.00           N  
HETATM    8  C   UNL     1       3.951  -0.980  -1.155  1.00  0.00           C  
HETATM    9  C   UNL     1       5.370  -3.061  -0.736  1.00  0.00           C  
HETATM   10  C   UNL     1       4.298  -3.906  -0.991  1.00  0.00           C  
HETATM   11  C   UNL     1       4.466  -5.275  -0.910  1.00  0.00           C  
HETATM   12  C   UNL     1       5.699  -5.803  -0.575  1.00  0.00           C  
HETATM   13  C   UNL     1       6.768  -4.964  -0.321  1.00  0.00           C  
HETATM   14  C   UNL     1       6.609  -3.595  -0.406  1.00  0.00           C  
HETATM   15  N   UNL     1       2.186   1.333  -0.183  1.00  0.00           N  
HETATM   16  C   UNL     1       1.400   2.021   0.844  1.00  0.00           C  
HETATM   17  C   UNL     1       1.401   3.525   0.564  1.00  0.00           C  
HETATM   18  C   UNL     1       2.802   4.061   0.710  1.00  0.00           C  
HETATM   19  C   UNL     1       3.647   4.092  -0.384  1.00  0.00           C  
HETATM   20  C   UNL     1       4.932   4.584  -0.251  1.00  0.00           C  
HETATM   21  C   UNL     1       3.240   4.528   1.935  1.00  0.00           C  
HETATM   22  C   UNL     1       4.525   5.020   2.068  1.00  0.00           C  
HETATM   23  C   UNL     1       5.372   5.045   0.975  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.038   1.499   0.819  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.613   1.745  -0.466  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.040  -0.005   1.098  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.481  -0.491   1.266  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.177  -0.409  -0.021  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.478  -0.060  -0.062  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.051   0.266   0.955  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.220  -0.074  -1.374  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.684   1.039  -2.276  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.246   0.716  -2.685  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.558   1.148  -3.527  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.649   0.141  -1.129  1.00  0.00           N  
HETATM   36  C   UNL     1      -6.609  -0.885  -1.540  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.949  -0.217  -1.867  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.049   1.271  -0.527  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.209   2.083  -0.192  1.00  0.00           O  
HETATM   40  N   UNL     1      -7.340   1.540  -0.281  1.00  0.00           N  
HETATM   41  C   UNL     1      -8.398   0.598  -0.649  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.477  -1.942   1.751  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.890  -2.382   2.033  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.433  -2.200   3.292  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.729  -2.603   3.550  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.484  -3.188   2.551  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.942  -3.369   1.292  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.647  -2.962   1.032  1.00  0.00           C  
HETATM   49  H   UNL     1       4.186   0.979  -2.075  1.00  0.00           H  
HETATM   50  H   UNL     1       3.179  -1.206  -0.420  1.00  0.00           H  
HETATM   51  H   UNL     1       3.620  -1.255  -2.157  1.00  0.00           H  
HETATM   52  H   UNL     1       3.335  -3.494  -1.252  1.00  0.00           H  
HETATM   53  H   UNL     1       3.632  -5.932  -1.107  1.00  0.00           H  
HETATM   54  H   UNL     1       5.827  -6.874  -0.512  1.00  0.00           H  
HETATM   55  H   UNL     1       7.730  -5.380  -0.060  1.00  0.00           H  
HETATM   56  H   UNL     1       7.446  -2.940  -0.212  1.00  0.00           H  
HETATM   57  H   UNL     1       1.745   0.954  -0.960  1.00  0.00           H  
HETATM   58  H   UNL     1       1.838   1.833   1.824  1.00  0.00           H  
HETATM   59  H   UNL     1       1.046   3.707  -0.450  1.00  0.00           H  
HETATM   60  H   UNL     1       0.745   4.027   1.275  1.00  0.00           H  
HETATM   61  H   UNL     1       3.304   3.731  -1.342  1.00  0.00           H  
HETATM   62  H   UNL     1       5.593   4.607  -1.105  1.00  0.00           H  
HETATM   63  H   UNL     1       2.578   4.509   2.788  1.00  0.00           H  
HETATM   64  H   UNL     1       4.867   5.385   3.025  1.00  0.00           H  
HETATM   65  H   UNL     1       6.376   5.430   1.079  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.624   2.011   1.583  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.169   1.283  -1.190  1.00  0.00           H  
HETATM   68  H   UNL     1       0.426  -0.530   0.264  1.00  0.00           H  
HETATM   69  H   UNL     1       0.519  -0.206   2.012  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.993   0.135   1.996  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.701  -0.605  -0.843  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.077  -1.038  -1.862  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.704   1.986  -1.735  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.229  -0.217  -3.248  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.855   1.522  -3.306  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.629   0.613  -1.793  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.583   1.378  -3.235  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.177   1.941  -4.169  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.538   0.201  -4.067  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.234  -1.402  -2.423  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.747  -1.600  -0.729  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.828   0.444  -2.725  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.693  -0.980  -2.092  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.577   2.376   0.149  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.308   1.145  -0.892  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.589  -0.074   0.188  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.044  -2.582   0.982  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.884  -2.019   2.662  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.843  -1.743   4.073  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.153  -2.461   4.534  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.497  -3.503   2.753  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.531  -3.826   0.511  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.224  -3.100   0.048  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   15                                       
CONECT    3    2    8    4   49                                       
CONECT    4    3    5                                                 
CONECT    5    4    7    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    9                                            
CONECT    8    3    7   50   51                                       
CONECT    9    7   14   14   10                                       
CONECT   10    9   11   11   52                                       
CONECT   11   10   10   12   53                                       
CONECT   12   11   13   13   54                                       
CONECT   13   12   12   14   55                                       
CONECT   14    9    9   13   56                                       
CONECT   15    2   16   57                                            
CONECT   16   15   24   17   58                                       
CONECT   17   16   18   59   60                                       
CONECT   18   17   19   21   21                                       
CONECT   19   18   20   20   61                                       
CONECT   20   19   19   23   62                                       
CONECT   21   18   18   22   63                                       
CONECT   22   21   23   23   64                                       
CONECT   23   20   22   22   65                                       
CONECT   24   16   26   25   66                                       
CONECT   25   24   67                                                 
CONECT   26   24   27   68   69                                       
CONECT   27   26   42   28   70                                       
CONECT   28   27   29   71                                            
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   35   32   72                                       
CONECT   32   31   34   33   73                                       
CONECT   33   32   74   75   76                                       
CONECT   34   32   77   78   79                                       
CONECT   35   31   36   38                                            
CONECT   36   35   37   80   81                                       
CONECT   37   36   41   82   83                                       
CONECT   38   35   40   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   84                                            
CONECT   41   37   40   85   86                                       
CONECT   42   27   43   87   88                                       
CONECT   43   42   48   48   44                                       
CONECT   44   43   45   45   89                                       
CONECT   45   44   44   46   90                                       
CONECT   46   45   47   47   91                                       
CONECT   47   46   46   48   92                                       
CONECT   48   43   43   47   93                                       
CONECT   49    3                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   46                                                      
CONECT   92   47                                                      
CONECT   93   48                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
