COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.548   0.167  -0.487  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.762   1.035  -0.169  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.258   2.423   0.144  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.719   2.466  -0.007  1.00  0.00           N  
HETATM    5  C   UNL     1      -7.177   3.831  -0.299  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.883   2.786   1.582  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.446   0.756  -0.091  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.964  -0.595  -0.389  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.756  -0.741  -1.898  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.656   0.220  -2.356  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.343  -2.178  -2.220  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.059  -0.409  -2.628  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.657  -0.831   0.323  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.921   0.101   0.565  1.00  0.00           O  
HETATM   15  N   UNL     1      -1.307  -2.080   0.692  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.029  -2.463   1.307  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.146  -3.283   0.551  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.641  -4.247   1.653  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.119  -3.974   1.650  1.00  0.00           C  
HETATM   20  C   UNL     1       0.507  -4.679   0.423  1.00  0.00           C  
HETATM   21  C   UNL     1       1.668  -3.731   0.033  1.00  0.00           C  
HETATM   22  C   UNL     1       1.098  -2.318   0.271  1.00  0.00           C  
HETATM   23  N   UNL     1       2.146  -1.436   0.792  1.00  0.00           N  
HETATM   24  C   UNL     1       2.948  -0.766  -0.060  1.00  0.00           C  
HETATM   25  O   UNL     1       2.802  -0.893  -1.257  1.00  0.00           O  
HETATM   26  C   UNL     1       4.026   0.140   0.475  1.00  0.00           C  
HETATM   27  C   UNL     1       4.774   0.764  -0.674  1.00  0.00           C  
HETATM   28  C   UNL     1       6.150   0.653  -0.745  1.00  0.00           C  
HETATM   29  C   UNL     1       6.837   1.226  -1.800  1.00  0.00           C  
HETATM   30  C   UNL     1       6.147   1.909  -2.784  1.00  0.00           C  
HETATM   31  C   UNL     1       4.771   2.019  -2.714  1.00  0.00           C  
HETATM   32  C   UNL     1       4.084   1.443  -1.661  1.00  0.00           C  
HETATM   33  C   UNL     1       3.400   1.224   1.314  1.00  0.00           C  
HETATM   34  C   UNL     1       3.850   1.449   2.602  1.00  0.00           C  
HETATM   35  C   UNL     1       3.276   2.443   3.372  1.00  0.00           C  
HETATM   36  C   UNL     1       2.251   3.213   2.854  1.00  0.00           C  
HETATM   37  C   UNL     1       1.801   2.989   1.566  1.00  0.00           C  
HETATM   38  C   UNL     1       2.378   1.998   0.795  1.00  0.00           C  
HETATM   39  H   UNL     1      -4.801   3.135  -0.543  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.028   1.821  -0.718  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.262   3.835  -0.406  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.890   4.493   0.517  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.720   4.177  -1.226  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.340   2.074   2.268  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.799   2.754   1.694  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.242   3.790   1.808  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.817   1.450   0.163  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.699  -1.326  -0.052  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.728  -0.017  -1.837  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.508   0.116  -3.431  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.950   1.244  -2.127  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.148  -2.859  -1.941  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.145  -2.269  -3.288  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.443  -2.432  -1.660  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.353   0.616  -2.398  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.911  -0.512  -3.702  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.842  -1.093  -2.301  1.00  0.00           H  
HETATM   58  H   UNL     1       0.166  -1.871   2.201  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.195  -3.036   0.714  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.008  -3.728  -0.434  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.078  -3.995   2.620  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.852  -5.283   1.390  1.00  0.00           H  
HETATM   63  H   UNL     1       0.361  -4.230   2.594  1.00  0.00           H  
HETATM   64  H   UNL     1       0.888  -5.662   0.697  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.217  -4.756  -0.388  1.00  0.00           H  
HETATM   66  H   UNL     1       2.534  -3.906   0.672  1.00  0.00           H  
HETATM   67  H   UNL     1       1.933  -3.864  -1.016  1.00  0.00           H  
HETATM   68  H   UNL     1       0.700  -1.915  -0.660  1.00  0.00           H  
HETATM   69  H   UNL     1       2.263  -1.334   1.749  1.00  0.00           H  
HETATM   70  H   UNL     1       4.717  -0.439   1.087  1.00  0.00           H  
HETATM   71  H   UNL     1       6.689   0.120   0.024  1.00  0.00           H  
HETATM   72  H   UNL     1       7.912   1.140  -1.855  1.00  0.00           H  
HETATM   73  H   UNL     1       6.683   2.356  -3.607  1.00  0.00           H  
HETATM   74  H   UNL     1       4.232   2.553  -3.483  1.00  0.00           H  
HETATM   75  H   UNL     1       3.008   1.526  -1.609  1.00  0.00           H  
HETATM   76  H   UNL     1       4.651   0.847   3.006  1.00  0.00           H  
HETATM   77  H   UNL     1       3.627   2.618   4.378  1.00  0.00           H  
HETATM   78  H   UNL     1       1.802   3.989   3.455  1.00  0.00           H  
HETATM   79  H   UNL     1       1.000   3.590   1.161  1.00  0.00           H  
HETATM   80  H   UNL     1       2.030   1.825  -0.213  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    2    4    6   39                                       
CONECT    4    3    5   40                                            
CONECT    5    4   41   42   43                                       
CONECT    6    3   44   45   46                                       
CONECT    7    2    8   47                                            
CONECT    8    7    9   13   48                                       
CONECT    9    8   10   11   12                                       
CONECT   10    9   49   50   51                                       
CONECT   11    9   52   53   54                                       
CONECT   12    9   55   56   57                                       
CONECT   13    8   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   17                                            
CONECT   16   15   19   22   58                                       
CONECT   17   15   18   59   60                                       
CONECT   18   17   19   61   62                                       
CONECT   19   16   18   20   63                                       
CONECT   20   19   21   64   65                                       
CONECT   21   20   22   66   67                                       
CONECT   22   16   21   23   68                                       
CONECT   23   22   24   69                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   33   70                                       
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29   71                                       
CONECT   29   28   30   30   72                                       
CONECT   30   29   29   31   73                                       
CONECT   31   30   32   32   74                                       
CONECT   32   27   31   31   75                                       
CONECT   33   26   34   34   38                                       
CONECT   34   33   33   35   76                                       
CONECT   35   34   36   36   77                                       
CONECT   36   35   35   37   78                                       
CONECT   37   36   38   38   79                                       
CONECT   38   33   37   37   80                                       
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
