COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.862  -1.370  -0.074  1.00  0.00           C  
HETATM    2  O   UNL     1       3.523  -0.853  -0.291  1.00  0.00           O  
HETATM    3  C   UNL     1       2.499  -1.653   0.046  1.00  0.00           C  
HETATM    4  O   UNL     1       2.714  -2.749   0.506  1.00  0.00           O  
HETATM    5  C   UNL     1       1.080  -1.183  -0.151  1.00  0.00           C  
HETATM    6  O   UNL     1       0.989  -0.353  -1.310  1.00  0.00           O  
HETATM    7  C   UNL     1       0.130  -2.391  -0.282  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.856  -2.258   0.896  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.249  -1.335   1.801  1.00  0.00           O  
HETATM   10  C   UNL     1       0.592  -0.417   1.096  1.00  0.00           C  
HETATM   11  C   UNL     1       1.780  -0.002   1.967  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.179   0.753   0.665  1.00  0.00           N  
HETATM   13  C   UNL     1       0.274   2.043   0.534  1.00  0.00           C  
HETATM   14  C   UNL     1       1.554   2.575   0.682  1.00  0.00           C  
HETATM   15  C   UNL     1       1.696   3.941   0.502  1.00  0.00           C  
HETATM   16  C   UNL     1       0.626   4.760   0.189  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.655   4.259   0.033  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.820   2.882   0.207  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.995   2.025   0.102  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.531   0.722   0.359  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.387  -0.370   0.238  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.126  -1.721   0.396  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.252  -2.434   0.059  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.467  -3.809  -0.007  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.735  -4.235  -0.367  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.756  -3.347  -0.655  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.568  -1.975  -0.606  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.295  -1.527  -0.248  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.739  -0.181  -0.121  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.223   1.115  -0.291  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.356   2.221  -0.179  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.191   3.406  -0.412  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.421   3.032  -0.651  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.549   1.693  -0.612  1.00  0.00           C  
HETATM   35  O   UNL     1      -6.573   1.068  -0.806  1.00  0.00           O  
HETATM   36  H   UNL     1       4.999  -1.592   0.984  1.00  0.00           H  
HETATM   37  H   UNL     1       4.998  -2.281  -0.657  1.00  0.00           H  
HETATM   38  C   UNL     1       5.890  -0.325  -0.514  1.00  0.00           C  
HETATM   39  H   UNL     1       1.263  -0.789  -2.129  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.406  -2.350  -1.230  1.00  0.00           H  
HETATM   41  H   UNL     1       0.690  -3.323  -0.203  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.015  -3.226   1.371  1.00  0.00           H  
HETATM   43  H   UNL     1       2.528   0.494   1.349  1.00  0.00           H  
HETATM   44  H   UNL     1       1.439   0.682   2.744  1.00  0.00           H  
HETATM   45  H   UNL     1       2.219  -0.887   2.428  1.00  0.00           H  
HETATM   46  H   UNL     1       2.398   1.949   0.928  1.00  0.00           H  
HETATM   47  H   UNL     1       2.677   4.382   0.609  1.00  0.00           H  
HETATM   48  H   UNL     1       0.794   5.819   0.064  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.488   4.902  -0.211  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.678  -4.513   0.214  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.933  -5.295  -0.425  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.727  -3.734  -0.927  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.367  -1.286  -0.833  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.843   4.428  -0.389  1.00  0.00           H  
HETATM   55  H   UNL     1       5.754   0.586   0.069  1.00  0.00           H  
HETATM   56  C   UNL     1       7.301  -0.870  -0.285  1.00  0.00           C  
HETATM   57  H   UNL     1       5.753  -0.104  -1.572  1.00  0.00           H  
HETATM   58  H   UNL     1       7.437  -1.781  -0.868  1.00  0.00           H  
HETATM   59  C   UNL     1       8.329   0.174  -0.725  1.00  0.00           C  
HETATM   60  H   UNL     1       7.438  -1.092   0.773  1.00  0.00           H  
HETATM   61  C   UNL     1       9.740  -0.371  -0.497  1.00  0.00           C  
HETATM   62  H   UNL     1       8.192   0.396  -1.783  1.00  0.00           H  
HETATM   63  H   UNL     1       8.192   1.086  -0.142  1.00  0.00           H  
HETATM   64  H   UNL     1       9.876  -1.282  -1.079  1.00  0.00           H  
HETATM   65  C   UNL     1      10.767   0.674  -0.936  1.00  0.00           C  
HETATM   66  H   UNL     1       9.877  -0.592   0.562  1.00  0.00           H  
HETATM   67  H   UNL     1      11.773   0.286  -0.773  1.00  0.00           H  
HETATM   68  H   UNL     1      10.630   0.896  -1.994  1.00  0.00           H  
HETATM   69  H   UNL     1      10.631   1.585  -0.353  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    3                                                 
CONECT    3    2    5    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   10    7                                       
CONECT    6    5   39                                                 
CONECT    7    5    8   40   41                                       
CONECT    8    7   22    9   42                                       
CONECT    9    8   10                                                 
CONECT   10    5    9   11   12                                       
CONECT   11   10   43   44   45                                       
CONECT   12   10   20   13                                            
CONECT   13   12   14   18   18                                       
CONECT   14   13   15   15   46                                       
CONECT   15   14   14   16   47                                       
CONECT   16   15   48   17   17                                       
CONECT   17   16   16   49   18                                       
CONECT   18   13   13   17   19                                       
CONECT   19   18   31   31   20                                       
CONECT   20   12   19   21   21                                       
CONECT   21   20   20   29   22                                       
CONECT   22    8   21   23                                            
CONECT   23   22   28   24   24                                       
CONECT   24   23   23   50   25                                       
CONECT   25   24   26   26   51                                       
CONECT   26   25   25   27   52                                       
CONECT   27   26   28   28   53                                       
CONECT   28   23   27   27   29                                       
CONECT   29   21   28   30   30                                       
CONECT   30   29   29   34   31                                       
CONECT   31   19   19   30   32                                       
CONECT   32   31   54   33   33                                       
CONECT   33   32   32   34                                            
CONECT   34   30   33   35   35                                       
CONECT   35   34   34                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1   55   56   57                                       
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   32                                                      
CONECT   55   38                                                      
CONECT   56   38   58   59   60                                       
CONECT   57   38                                                      
CONECT   58   56                                                      
CONECT   59   56   61   62   63                                       
CONECT   60   56                                                      
CONECT   61   59   64   65   66                                       
CONECT   62   59                                                      
CONECT   63   59                                                      
CONECT   64   61                                                      
CONECT   65   61   67   68   69                                       
CONECT   66   61                                                      
CONECT   67   65                                                      
CONECT   68   65                                                      
CONECT   69   65                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
