COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.325   0.806   0.618  1.00  0.00           N  
HETATM    2  N   UNL     1       1.031   0.707   0.639  1.00  0.00           N  
HETATM    3  C   UNL     1       1.693  -0.089  -0.219  1.00  0.00           C  
HETATM    4  O   UNL     1       2.875   0.134  -0.396  1.00  0.00           O  
HETATM    5  N   UNL     1       1.151  -1.095  -0.896  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.199  -1.594  -0.631  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.428  -1.660   0.885  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.433  -2.634   1.174  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.882  -0.299   1.377  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.669   2.034   1.348  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.133   2.338   1.157  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.055   1.914   2.095  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.398   2.193   1.920  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.818   2.896   0.807  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.896   3.321  -0.130  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.553   3.046   0.046  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.225  -0.650  -1.263  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.570  -1.327  -1.306  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.513  -1.053  -0.333  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.748  -1.674  -0.372  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.039  -2.569  -1.384  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.097  -2.843  -2.357  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.864  -2.219  -2.321  1.00  0.00           C  
HETATM   24  C   UNL     1       1.941  -1.737  -1.950  1.00  0.00           C  
HETATM   25  C   UNL     1       1.737  -1.001  -3.249  1.00  0.00           C  
HETATM   26  C   UNL     1       2.512   0.103  -3.545  1.00  0.00           C  
HETATM   27  C   UNL     1       2.325   0.781  -4.739  1.00  0.00           C  
HETATM   28  C   UNL     1       1.352   0.349  -5.636  1.00  0.00           C  
HETATM   29  C   UNL     1       0.583  -0.763  -5.336  1.00  0.00           C  
HETATM   30  C   UNL     1       0.774  -1.434  -4.142  1.00  0.00           C  
HETATM   31  O   UNL     1       1.165   1.011  -6.809  1.00  0.00           O  
HETATM   32  O   UNL     1       3.087   1.869  -5.032  1.00  0.00           O  
HETATM   33  C   UNL     1       3.975   2.060  -3.929  1.00  0.00           C  
HETATM   34  C   UNL     1       1.791   1.482   1.622  1.00  0.00           C  
HETATM   35  C   UNL     1       2.129   0.605   2.800  1.00  0.00           C  
HETATM   36  C   UNL     1       3.245  -0.209   2.756  1.00  0.00           C  
HETATM   37  C   UNL     1       3.560  -1.015   3.834  1.00  0.00           C  
HETATM   38  C   UNL     1       2.756  -1.007   4.962  1.00  0.00           C  
HETATM   39  C   UNL     1       1.633  -0.186   5.008  1.00  0.00           C  
HETATM   40  C   UNL     1       1.327   0.622   3.926  1.00  0.00           C  
HETATM   41  O   UNL     1       3.064  -1.799   6.024  1.00  0.00           O  
HETATM   42  O   UNL     1       0.842  -0.175   6.113  1.00  0.00           O  
HETATM   43  C   UNL     1      -0.212   0.754   5.857  1.00  0.00           C  
HETATM   44  H   UNL     1      -0.309  -2.590  -1.060  1.00  0.00           H  
HETATM   45  H   UNL     1       0.501  -1.936   1.382  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.545  -2.643   2.135  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.970  -0.251   1.317  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.588  -0.189   2.421  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.462   1.897   2.409  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.073   2.863   0.965  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.727   1.364   2.965  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.118   1.861   2.653  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.867   3.113   0.670  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.225   3.871  -1.000  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.833   3.378  -0.686  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.295   0.260  -0.668  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.912  -0.399  -2.276  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.286  -0.353   0.457  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.484  -1.459   0.387  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.003  -3.055  -1.414  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.324  -3.543  -3.148  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.127  -2.433  -3.081  1.00  0.00           H  
HETATM   63  H   UNL     1       1.620  -2.772  -2.064  1.00  0.00           H  
HETATM   64  H   UNL     1       2.996  -1.711  -1.679  1.00  0.00           H  
HETATM   65  H   UNL     1       3.263   0.439  -2.846  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.169  -1.102  -6.032  1.00  0.00           H  
HETATM   67  H   UNL     1       0.171  -2.298  -3.908  1.00  0.00           H  
HETATM   68  H   UNL     1       0.499   1.691  -6.643  1.00  0.00           H  
HETATM   69  H   UNL     1       4.610   2.925  -4.119  1.00  0.00           H  
HETATM   70  H   UNL     1       3.396   2.226  -3.021  1.00  0.00           H  
HETATM   71  H   UNL     1       4.597   1.173  -3.806  1.00  0.00           H  
HETATM   72  H   UNL     1       2.711   1.847   1.165  1.00  0.00           H  
HETATM   73  H   UNL     1       1.192   2.328   1.959  1.00  0.00           H  
HETATM   74  H   UNL     1       3.872  -0.216   1.876  1.00  0.00           H  
HETATM   75  H   UNL     1       4.431  -1.652   3.796  1.00  0.00           H  
HETATM   76  H   UNL     1       0.456   1.260   3.958  1.00  0.00           H  
HETATM   77  H   UNL     1       3.640  -1.281   6.602  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.876   0.797   6.720  1.00  0.00           H  
HETATM   79  H   UNL     1       0.210   1.741   5.673  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.775   0.431   4.981  1.00  0.00           H  
CONECT    1    2    9   10                                            
CONECT    2    1    3   34                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   24                                            
CONECT    6    5    7   17   44                                       
CONECT    7    6    8    9   45                                       
CONECT    8    7   46                                                 
CONECT    9    1    7   47   48                                       
CONECT   10    1   11   49   50                                       
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   51                                       
CONECT   13   12   14   14   52                                       
CONECT   14   13   13   15   53                                       
CONECT   15   14   16   16   54                                       
CONECT   16   11   15   15   55                                       
CONECT   17    6   18   56   57                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   58                                       
CONECT   20   19   21   21   59                                       
CONECT   21   20   20   22   60                                       
CONECT   22   21   23   23   61                                       
CONECT   23   18   22   22   62                                       
CONECT   24    5   25   63   64                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   65                                       
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29   31                                       
CONECT   29   28   30   30   66                                       
CONECT   30   25   29   29   67                                       
CONECT   31   28   68                                                 
CONECT   32   27   33                                                 
CONECT   33   32   69   70   71                                       
CONECT   34    2   35   72   73                                       
CONECT   35   34   36   36   40                                       
CONECT   36   35   35   37   74                                       
CONECT   37   36   38   38   75                                       
CONECT   38   37   37   39   41                                       
CONECT   39   38   40   40   42                                       
CONECT   40   35   39   39   76                                       
CONECT   41   38   77                                                 
CONECT   42   39   43                                                 
CONECT   43   42   78   79   80                                       
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   26                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   43                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
