COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.305   1.092  -2.988  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.346   1.241  -1.785  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.084   2.599  -1.186  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.883   3.621  -2.307  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.825   2.540  -0.318  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.163   1.897   1.028  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.638   2.976   2.003  1.00  0.00           C  
HETATM    8  C   UNL     1       0.083   1.212   1.593  1.00  0.00           C  
HETATM    9  O   UNL     1       0.836   0.607   0.509  1.00  0.00           O  
HETATM   10  C   UNL     1       2.167   0.521   0.665  1.00  0.00           C  
HETATM   11  O   UNL     1       2.685   0.937   1.675  1.00  0.00           O  
HETATM   12  C   UNL     1       3.014  -0.095  -0.418  1.00  0.00           C  
HETATM   13  C   UNL     1       4.484  -0.070   0.008  1.00  0.00           C  
HETATM   14  N   UNL     1       5.310  -0.670  -1.048  1.00  0.00           N  
HETATM   15  C   UNL     1       5.285   0.151  -2.266  1.00  0.00           C  
HETATM   16  C   UNL     1       6.688  -0.880  -0.582  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.338   0.128   2.588  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.567   0.601   3.367  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.672  -1.137   1.842  1.00  0.00           C  
HETATM   20  O   UNL     1       0.086  -2.078   1.876  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.812  -1.219   1.138  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.070  -2.468   0.443  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.807  -2.908  -0.301  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.338  -1.779  -1.221  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.209  -2.268  -0.559  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.365  -3.529  -1.411  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.894  -1.095  -1.450  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.657   0.106  -0.917  1.00  0.00           C  
HETATM   29  H   UNL     1      -2.934   2.896  -0.572  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.684   0.235   0.155  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.780   3.663  -2.924  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.693   4.602  -1.874  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.033   3.324  -2.921  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.063   1.946  -0.823  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.449   3.549  -0.155  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.953   1.158   0.890  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.403   3.587   1.524  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.055   2.503   2.893  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.795   3.605   2.288  1.00  0.00           H  
HETATM   40  H   UNL     1       0.705   1.949   2.100  1.00  0.00           H  
HETATM   41  H   UNL     1       0.480  -0.065   3.282  1.00  0.00           H  
HETATM   42  H   UNL     1       2.701  -1.126  -0.582  1.00  0.00           H  
HETATM   43  H   UNL     1       2.894   0.473  -1.340  1.00  0.00           H  
HETATM   44  H   UNL     1       4.797   0.961   0.173  1.00  0.00           H  
HETATM   45  H   UNL     1       4.604  -0.638   0.931  1.00  0.00           H  
HETATM   46  H   UNL     1       5.672   1.145  -2.042  1.00  0.00           H  
HETATM   47  H   UNL     1       5.905  -0.316  -3.031  1.00  0.00           H  
HETATM   48  H   UNL     1       4.261   0.233  -2.628  1.00  0.00           H  
HETATM   49  H   UNL     1       6.682  -1.548   0.279  1.00  0.00           H  
HETATM   50  H   UNL     1       7.277  -1.326  -1.384  1.00  0.00           H  
HETATM   51  H   UNL     1       7.125   0.076  -0.298  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.367   0.848   2.669  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.901  -0.192   4.036  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.309   1.484   3.951  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.352  -3.234   1.165  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.023  -3.138   0.420  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.026  -3.794  -0.896  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.137  -2.076  -0.020  1.00  0.00           H  
HETATM   59  H   UNL     1       0.651  -2.016  -1.612  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.040  -1.669  -2.048  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.292  -0.847  -0.658  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.593  -4.378  -0.767  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.176  -3.386  -2.125  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.437  -3.721  -1.950  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.866  -1.224  -2.523  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   28                                       
CONECT    3    2    4    5   29                                       
CONECT    4    3   31   32   33                                       
CONECT    5    3    6   34   35                                       
CONECT    6    5    7    8   36                                       
CONECT    7    6   37   38   39                                       
CONECT    8    6    9   17   40                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   42   43                                       
CONECT   13   12   14   44   45                                       
CONECT   14   13   15   16                                            
CONECT   15   14   46   47   48                                       
CONECT   16   14   49   50   51                                       
CONECT   17    8   18   19   41                                       
CONECT   18   17   52   53   54                                       
CONECT   19   17   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22                                                 
CONECT   22   21   23   25   55                                       
CONECT   23   22   24   56   57                                       
CONECT   24   23   59   60   61                                       
CONECT   25   22   26   27   58                                       
CONECT   26   25   62   63   64                                       
CONECT   27   25   28   28   65                                       
CONECT   28    2   27   27   30                                       
CONECT   29    3                                                      
CONECT   30   28                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   17                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   25                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
