COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.819  -0.158   0.326  1.00  0.00           N  
HETATM    2  C   UNL     1       2.574  -0.857   1.753  1.00  0.00           C  
HETATM    3  C   UNL     1       2.583   0.129   2.929  1.00  0.00           C  
HETATM    4  C   UNL     1       2.653   1.895   1.323  1.00  0.00           C  
HETATM    5  C   UNL     1       2.905   3.235   1.051  1.00  0.00           C  
HETATM    6  C   UNL     1       2.433   3.809  -0.112  1.00  0.00           C  
HETATM    7  C   UNL     1       1.454   1.718  -0.743  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.138  -0.339   0.747  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.707  -0.744   1.672  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.626   0.326  -0.339  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.024   0.740  -1.282  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.218   0.105  -0.048  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.028  -0.845   2.282  1.00  0.00           O  
HETATM   14  C   UNL     1       0.200  -0.459   1.155  1.00  0.00           C  
HETATM   15  C   UNL     1       1.624  -0.317   0.681  1.00  0.00           C  
HETATM   16  C   UNL     1       1.924   1.138   0.423  1.00  0.00           C  
HETATM   17  C   UNL     1       1.707   3.050  -1.011  1.00  0.00           C  
HETATM   18 CL   UNL     1       1.113   3.770  -2.475  1.00  0.00          Cl  
HETATM   19  O   UNL     1       3.138   1.365   2.476  1.00  0.00           O  
HETATM   20  C   UNL     1       1.812  -1.113  -0.612  1.00  0.00           C  
HETATM   21  N   UNL     1       1.644  -2.541  -0.336  1.00  0.00           N  
HETATM   22  C   UNL     1       1.860  -3.447  -1.311  1.00  0.00           C  
HETATM   23  O   UNL     1       2.195  -3.077  -2.419  1.00  0.00           O  
HETATM   24  O   UNL     1       1.706  -4.760  -1.057  1.00  0.00           O  
HETATM   25  C   UNL     1       1.956  -5.677  -2.154  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.106   1.146  -2.004  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.401   0.940  -1.533  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.536  -0.106   0.433  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.663  -1.139   2.362  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.418  -0.959   1.946  1.00  0.00           C  
HETATM   31  H   UNL     1      -0.636   0.180  -0.565  1.00  0.00           H  
HETATM   32  H   UNL     1       3.579  -0.947   1.342  1.00  0.00           H  
HETATM   33  H   UNL     1       2.228  -1.832   2.095  1.00  0.00           H  
HETATM   34  H   UNL     1       1.563   0.292   3.279  1.00  0.00           H  
HETATM   35  H   UNL     1       3.191  -0.272   3.740  1.00  0.00           H  
HETATM   36  H   UNL     1       3.472   3.829   1.753  1.00  0.00           H  
HETATM   37  H   UNL     1       2.631   4.851  -0.319  1.00  0.00           H  
HETATM   38  H   UNL     1       0.886   1.126  -1.447  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.702  -0.914   2.056  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.636   0.174   0.013  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.025   0.906  -1.657  1.00  0.00           H  
HETATM   42  H   UNL     1       1.071  -0.795  -1.345  1.00  0.00           H  
HETATM   43  H   UNL     1       2.813  -0.934  -1.006  1.00  0.00           H  
HETATM   44  H   UNL     1       1.377  -2.836   0.549  1.00  0.00           H  
HETATM   45  H   UNL     1       2.985  -5.564  -2.495  1.00  0.00           H  
HETATM   46  H   UNL     1       1.796  -6.701  -1.815  1.00  0.00           H  
HETATM   47  H   UNL     1       1.275  -5.456  -2.975  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.957   1.636  -2.955  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.241   1.272  -2.126  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.602  -1.308   2.562  1.00  0.00           H  
CONECT    1    8   14   31                                            
CONECT    2   15    3   32   33                                       
CONECT    3    2   19   34   35                                       
CONECT    4   16   19    5    5                                       
CONECT    5    4    4    6   36                                       
CONECT    6   17   17    5   37                                       
CONECT    7   16   16   17   38                                       
CONECT    8   12   12   30    1                                       
CONECT    9   28   28   29   39                                       
CONECT   10   27   27   28   40                                       
CONECT   11   26   26   12   41                                       
CONECT   12   28   11    8    8                                       
CONECT   13   14   14                                                 
CONECT   14    1   15   13   13                                       
CONECT   15   20   14    2   16                                       
CONECT   16   15    7    7    4                                       
CONECT   17    7   18    6    6                                       
CONECT   18   17                                                      
CONECT   19    3    4                                                 
CONECT   20   21   15   42   43                                       
CONECT   21   22   20   44                                            
CONECT   22   23   23   24   21                                       
CONECT   23   22   22                                                 
CONECT   24   25   22                                                 
CONECT   25   24   45   46   47                                       
CONECT   26   27   11   11   48                                       
CONECT   27   10   10   26   49                                       
CONECT   28   10    9    9   12                                       
CONECT   29    9   30   30                                            
CONECT   30   29   29    8   50                                       
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
