COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.079  -1.943  -0.233  1.00  0.00           O  
HETATM    2  C   UNL     1       3.637  -0.846   0.045  1.00  0.00           C  
HETATM    3  C   UNL     1       4.509   0.343  -0.029  1.00  0.00           C  
HETATM    4  C   UNL     1       4.004   1.605   0.291  1.00  0.00           C  
HETATM    5  C   UNL     1       4.824   2.711   0.220  1.00  0.00           C  
HETATM    6  C   UNL     1       6.146   2.573  -0.167  1.00  0.00           C  
HETATM    7  C   UNL     1       6.653   1.326  -0.485  1.00  0.00           C  
HETATM    8  C   UNL     1       5.845   0.210  -0.413  1.00  0.00           C  
HETATM    9  O   UNL     1       2.348  -0.715   0.417  1.00  0.00           O  
HETATM   10  C   UNL     1       1.550  -1.926   0.467  1.00  0.00           C  
HETATM   11  C   UNL     1       0.897  -2.163  -0.897  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.116  -1.039  -1.167  1.00  0.00           C  
HETATM   13  C   UNL     1       0.577   0.307  -0.850  1.00  0.00           C  
HETATM   14  C   UNL     1       0.312   0.544   0.651  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.516  -0.679   1.105  1.00  0.00           C  
HETATM   16  C   UNL     1       0.467  -1.778   1.540  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.183  -1.151  -0.137  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.332  -0.299  -0.475  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.502  -0.629   0.454  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.917  -1.979   0.237  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.651   0.302   0.165  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.547   0.002  -0.844  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.600   0.857  -1.109  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.758   2.011  -0.366  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.862   2.312   0.643  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.812   1.454   0.913  1.00  0.00           C  
HETATM   27  H   UNL     1       2.973   1.714   0.592  1.00  0.00           H  
HETATM   28  H   UNL     1       6.244  -0.763  -0.657  1.00  0.00           H  
HETATM   29  H   UNL     1       4.435   3.688   0.467  1.00  0.00           H  
HETATM   30  H   UNL     1       6.784   3.443  -0.221  1.00  0.00           H  
HETATM   31  H   UNL     1       7.685   1.225  -0.787  1.00  0.00           H  
HETATM   32  H   UNL     1       2.191  -2.773   0.714  1.00  0.00           H  
HETATM   33  H   UNL     1       1.662  -2.159  -1.674  1.00  0.00           H  
HETATM   34  H   UNL     1       0.384  -3.125  -0.895  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.067  -2.722   1.653  1.00  0.00           H  
HETATM   36  H   UNL     1       0.928  -1.501   2.488  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.506  -1.072  -2.184  1.00  0.00           H  
HETATM   38  H   UNL     1       1.648   0.236  -1.040  1.00  0.00           H  
HETATM   39  H   UNL     1       0.138   1.108  -1.444  1.00  0.00           H  
HETATM   40  H   UNL     1       1.253   0.590   1.199  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.256   1.464   0.795  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.233  -0.425   1.887  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.055   0.748  -0.353  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.627  -0.479  -1.508  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.188  -0.507   1.491  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.210  -2.160  -0.666  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.423  -0.900  -1.424  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.114   1.687   1.704  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.300   0.622  -1.898  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.581   2.679  -0.574  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.985   3.214   1.223  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    9    3    1    1                                       
CONECT    3    2    8    8    4                                       
CONECT    4    3    5    5   27                                       
CONECT    5    6    4    4   29                                       
CONECT    6    7    7    5   30                                       
CONECT    7    8    6    6   31                                       
CONECT    8    3    3    7   28                                       
CONECT    9    2   10                                                 
CONECT   10    9   16   11   32                                       
CONECT   11   10   12   33   34                                       
CONECT   12   17   11   13   37                                       
CONECT   13   12   14   38   39                                       
CONECT   14   15   13   40   41                                       
CONECT   15   17   16   14   42                                       
CONECT   16   10   15   35   36                                       
CONECT   17   15   12   18                                            
CONECT   18   17   19   43   44                                       
CONECT   19   20   18   21   45                                       
CONECT   20   19   46                                                 
CONECT   21   19   26   26   22                                       
CONECT   22   21   23   23   47                                       
CONECT   23   24   22   22   49                                       
CONECT   24   25   25   23   50                                       
CONECT   25   26   24   24   51                                       
CONECT   26   21   21   25   48                                       
CONECT   27    4                                                      
CONECT   28    8                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   26                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
