COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.887  -2.946   0.775  1.00  0.00           O  
HETATM    2  C   UNL     1       2.889  -1.778   0.435  1.00  0.00           C  
HETATM    3  C   UNL     1       4.077  -0.907   0.351  1.00  0.00           C  
HETATM    4  C   UNL     1       5.426  -1.175   0.623  1.00  0.00           C  
HETATM    5  C   UNL     1       6.370  -0.186   0.469  1.00  0.00           C  
HETATM    6  C   UNL     1       5.989   1.082   0.044  1.00  0.00           C  
HETATM    7  O   UNL     1       6.923   2.055  -0.107  1.00  0.00           O  
HETATM    8  C   UNL     1       8.277   1.706   0.189  1.00  0.00           C  
HETATM    9  C   UNL     1       4.654   1.353  -0.228  1.00  0.00           C  
HETATM   10  C   UNL     1       3.702   0.368  -0.076  1.00  0.00           C  
HETATM   11  C   UNL     1       2.209   0.388  -0.296  1.00  0.00           C  
HETATM   12  C   UNL     1       1.708  -0.999   0.031  1.00  0.00           C  
HETATM   13  C   UNL     1       0.449  -1.429  -0.027  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.649  -0.489  -0.456  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.336  -1.043  -1.707  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.488  -0.116  -2.103  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.679  -0.358   0.669  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.821   0.548   0.205  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.448  -0.026  -0.995  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.635   0.744  -1.388  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.695   0.610  -0.325  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.742   1.512   0.721  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.714   1.389   1.697  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.639   0.365   1.625  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.593  -0.537   0.579  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.624  -0.411  -0.400  1.00  0.00           C  
HETATM   27  H   UNL     1       5.725  -2.159   0.953  1.00  0.00           H  
HETATM   28  H   UNL     1       7.408  -0.395   0.680  1.00  0.00           H  
HETATM   29  H   UNL     1       8.919   2.572   0.028  1.00  0.00           H  
HETATM   30  H   UNL     1       8.351   1.387   1.229  1.00  0.00           H  
HETATM   31  H   UNL     1       8.594   0.892  -0.463  1.00  0.00           H  
HETATM   32  H   UNL     1       4.361   2.339  -0.557  1.00  0.00           H  
HETATM   33  H   UNL     1       1.744   1.122   0.362  1.00  0.00           H  
HETATM   34  H   UNL     1       0.214  -2.450   0.233  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.224   0.490  -0.677  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.616  -1.097  -2.524  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.725  -2.039  -1.498  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.096   0.876  -2.325  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.989  -0.516  -2.985  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.074  -1.343   0.917  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.204   0.075   1.549  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.564   0.632   0.998  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.428   1.537  -0.030  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.366   1.794  -1.503  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.019   0.362  -2.334  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.019   2.313   0.777  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.751   2.094   2.514  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.398   0.268   2.388  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.315  -1.338   0.523  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.588  -1.115  -1.217  1.00  0.00           H  
HETATM   51  H   UNL     1       1.988   0.626  -1.337  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   12    1    1    3                                       
CONECT    3    2   10   10    4                                       
CONECT    4    3    5    5   27                                       
CONECT    5    4    4    6   28                                       
CONECT    6    9    9    5    7                                       
CONECT    7    6    8                                                 
CONECT    8    7   29   30   31                                       
CONECT    9   10    6    6   32                                       
CONECT   10   11    3    3    9                                       
CONECT   11   12   10   33   51                                       
CONECT   12   13   13   11    2                                       
CONECT   13   14   12   12   34                                       
CONECT   14   15   17   13   35                                       
CONECT   15   16   14   36   37                                       
CONECT   16   19   15   38   39                                       
CONECT   17   18   14   40   41                                       
CONECT   18   19   17   42   43                                       
CONECT   19   20   16   18                                            
CONECT   20   21   19   44   45                                       
CONECT   21   22   22   26   20                                       
CONECT   22   23   21   21   46                                       
CONECT   23   24   24   22   47                                       
CONECT   24   23   23   25   48                                       
CONECT   25   24   26   26   49                                       
CONECT   26   25   25   21   50                                       
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   11                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
