COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.564  -3.598   0.184  1.00  0.00           C  
HETATM    2  O   UNL     1       4.294  -4.732   0.335  1.00  0.00           O  
HETATM    3  C   UNL     1       4.209  -2.383   0.023  1.00  0.00           C  
HETATM    4  O   UNL     1       4.086  -0.034  -0.290  1.00  0.00           O  
HETATM    5  C   UNL     1       3.467  -1.221  -0.132  1.00  0.00           C  
HETATM    6  O   UNL     1       4.013   4.558  -0.900  1.00  0.00           O  
HETATM    7  C   UNL     1       3.407   1.122  -0.444  1.00  0.00           C  
HETATM    8  O   UNL     1       1.032   0.877   2.038  1.00  0.00           O  
HETATM    9  C   UNL     1       4.098   2.307  -0.601  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.868   1.283   3.110  1.00  0.00           O  
HETATM   11  C   UNL     1       3.398   3.508  -0.761  1.00  0.00           C  
HETATM   12  C   UNL     1       1.988   3.516  -0.763  1.00  0.00           C  
HETATM   13  C   UNL     1       1.299   2.357  -0.609  1.00  0.00           C  
HETATM   14  C   UNL     1       1.991   1.142  -0.447  1.00  0.00           C  
HETATM   15  C   UNL     1       1.279  -0.069  -0.288  1.00  0.00           C  
HETATM   16  C   UNL     1       2.059  -1.299  -0.124  1.00  0.00           C  
HETATM   17  C   UNL     1       1.423  -2.537   0.040  1.00  0.00           C  
HETATM   18  C   UNL     1       2.170  -3.668   0.185  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.192  -0.094  -0.286  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.888  -0.568  -1.400  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.266  -0.590  -1.396  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.973  -0.142  -0.285  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.296   0.334   0.833  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.907   0.357   0.845  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.182   0.854   2.033  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.370  -0.169  -0.293  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.131  -0.604  -1.312  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.552  -0.468  -0.925  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.569   0.046   0.316  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.159   0.232   0.721  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.777   0.673   1.786  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.721  -1.036  -2.370  1.00  0.00           O  
HETATM   33  H   UNL     1       4.504  -4.944   1.255  1.00  0.00           H  
HETATM   34  H   UNL     1       5.289  -2.340   0.019  1.00  0.00           H  
HETATM   35  H   UNL     1       5.178   2.307  -0.600  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.351   1.600   3.863  1.00  0.00           H  
HETATM   37  H   UNL     1       1.454   4.447  -0.887  1.00  0.00           H  
HETATM   38  H   UNL     1       0.219   2.367  -0.611  1.00  0.00           H  
HETATM   39  H   UNL     1       0.345  -2.595   0.046  1.00  0.00           H  
HETATM   40  H   UNL     1       1.680  -4.623   0.307  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.345  -0.918  -2.266  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.800  -0.957  -2.260  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.850   0.681   1.693  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.411  -0.731  -1.525  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.444   0.276   0.906  1.00  0.00           H  
CONECT    1    2    3    3   18                                       
CONECT    2    1   33                                                 
CONECT    3    1    1    5   34                                       
CONECT    4    5    7                                                 
CONECT    5    3    4   16   16                                       
CONECT    6   11   11                                                 
CONECT    7    4    9    9   14                                       
CONECT    8   25   25                                                 
CONECT    9    7    7   11   35                                       
CONECT   10   25   36                                                 
CONECT   11    6    6    9   12                                       
CONECT   12   11   13   13   37                                       
CONECT   13   12   12   14   38                                       
CONECT   14    7   13   15   15                                       
CONECT   15   14   14   16   19                                       
CONECT   16    5    5   15   17                                       
CONECT   17   16   18   18   39                                       
CONECT   18    1   17   17   40                                       
CONECT   19   15   20   20   24                                       
CONECT   20   19   19   21   41                                       
CONECT   21   20   22   22   42                                       
CONECT   22   21   21   23   26                                       
CONECT   23   22   24   24   43                                       
CONECT   24   19   23   23   25                                       
CONECT   25    8    8   10   24                                       
CONECT   26   22   27   30                                            
CONECT   27   26   28   32   32                                       
CONECT   28   27   29   29   44                                       
CONECT   29   28   28   30   45                                       
CONECT   30   26   29   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   27   27                                                 
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
