COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.995   1.018   0.001  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.756  -1.393  -0.001  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.142  -1.550  -0.001  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.961  -0.427   0.006  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.381   0.867   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.189  -0.101   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.280   2.027  -0.003  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.314  -0.542   0.006  1.00  0.00           N  
HETATM    9  C   UNL     1      -7.090   0.511   0.002  1.00  0.00           C  
HETATM   10  N   UNL     1      -8.450   0.321   0.003  1.00  0.00           N  
HETATM   11  N   UNL     1      -6.611   1.790  -0.002  1.00  0.00           N  
HETATM   12  N   UNL     1      -0.812  -0.287   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.728  -2.279  -0.001  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.587  -1.633   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.656  -2.226  -0.001  1.00  0.00           N  
HETATM   16  C   UNL     1       1.863  -1.396  -0.001  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.842   3.164  -0.007  1.00  0.00           O  
HETATM   18  C   UNL     1       3.100  -2.295  -0.001  1.00  0.00           C  
HETATM   19  C   UNL     1       6.621   0.124  -0.001  1.00  0.00           C  
HETATM   20  C   UNL     1       7.859   0.983  -0.001  1.00  0.00           C  
HETATM   21  C   UNL     1       7.456   2.459   0.004  1.00  0.00           C  
HETATM   22  O   UNL     1       8.630   3.273   0.004  1.00  0.00           O  
HETATM   23  C   UNL     1       6.051  -0.268   1.196  1.00  0.00           C  
HETATM   24  C   UNL     1       4.912  -1.051   1.196  1.00  0.00           C  
HETATM   25  C   UNL     1       4.342  -1.442  -0.001  1.00  0.00           C  
HETATM   26  C   UNL     1       4.912  -1.050  -1.198  1.00  0.00           C  
HETATM   27  C   UNL     1       6.051  -0.267  -1.198  1.00  0.00           C  
HETATM   28  H   UNL     1      -2.556   2.004  -0.003  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.577  -2.538  -0.002  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.814  -0.578   0.007  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.046   1.086   0.001  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.232   2.535  -0.005  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.137   0.409   0.000  1.00  0.00           H  
HETATM   34  H   UNL     1       0.732  -3.193  -0.001  1.00  0.00           H  
HETATM   35  H   UNL     1       1.871  -0.766  -0.890  1.00  0.00           H  
HETATM   36  H   UNL     1       1.871  -0.767   0.890  1.00  0.00           H  
HETATM   37  H   UNL     1       3.092  -2.925   0.888  1.00  0.00           H  
HETATM   38  H   UNL     1       3.092  -2.924  -0.892  1.00  0.00           H  
HETATM   39  H   UNL     1       8.452   0.766   0.888  1.00  0.00           H  
HETATM   40  H   UNL     1       8.449   0.770  -0.892  1.00  0.00           H  
HETATM   41  H   UNL     1       6.863   2.676  -0.885  1.00  0.00           H  
HETATM   42  H   UNL     1       6.866   2.672   0.895  1.00  0.00           H  
HETATM   43  H   UNL     1       8.450   4.223   0.006  1.00  0.00           H  
HETATM   44  H   UNL     1       6.497   0.037   2.132  1.00  0.00           H  
HETATM   45  H   UNL     1       4.468  -1.358   2.131  1.00  0.00           H  
HETATM   46  H   UNL     1       4.467  -1.356  -2.134  1.00  0.00           H  
HETATM   47  H   UNL     1       6.496   0.039  -2.133  1.00  0.00           H  
CONECT    1    6    5    5   28                                       
CONECT    2   13    6    6    3                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    5    8                                       
CONECT    5    1    1    4    7                                       
CONECT    6   12    2    2    1                                       
CONECT    7    5   17   17   11                                       
CONECT    8    4    9    9                                            
CONECT    9    8    8   11   10                                       
CONECT   10    9   30   31                                            
CONECT   11    7    9   32                                            
CONECT   12   14    6   33                                            
CONECT   13   14   14    2                                            
CONECT   14   15   13   13   12                                       
CONECT   15   16   14   34                                            
CONECT   16   18   15   35   36                                       
CONECT   17    7    7                                                 
CONECT   18   25   16   37   38                                       
CONECT   19   20   27   27   23                                       
CONECT   20   21   19   39   40                                       
CONECT   21   22   20   41   42                                       
CONECT   22   21   43                                                 
CONECT   23   19   24   24   44                                       
CONECT   24   23   23   25   45                                       
CONECT   25   26   26   24   18                                       
CONECT   26   27   25   25   46                                       
CONECT   27   19   19   26   47                                       
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
