COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.506  -2.019   2.019  1.00  0.00           C  
HETATM    2  C   UNL     1       3.296  -3.116   2.306  1.00  0.00           C  
HETATM    3  C   UNL     1       3.722  -3.947   1.287  1.00  0.00           C  
HETATM    4  C   UNL     1       3.356  -3.682  -0.020  1.00  0.00           C  
HETATM    5  C   UNL     1       2.565  -2.586  -0.307  1.00  0.00           C  
HETATM    6  C   UNL     1       2.140  -1.753   0.712  1.00  0.00           C  
HETATM    7  C   UNL     1       1.278  -0.558   0.399  1.00  0.00           C  
HETATM    8  C   UNL     1       2.138   0.575  -0.108  1.00  0.00           C  
HETATM    9  C   UNL     1       2.736   1.452   0.769  1.00  0.00           C  
HETATM   10  C   UNL     1       3.523   2.484   0.284  1.00  0.00           C  
HETATM   11 CL   UNL     1       4.277   3.590   1.390  1.00  0.00          Cl  
HETATM   12  C   UNL     1       3.711   2.636  -1.079  1.00  0.00           C  
HETATM   13  C   UNL     1       3.116   1.762  -1.966  1.00  0.00           C  
HETATM   14  C   UNL     1       2.321   0.721  -1.485  1.00  0.00           C  
HETATM   15  N   UNL     1       1.720  -0.153  -2.352  1.00  0.00           N  
HETATM   16  C   UNL     1       0.756  -0.933  -1.960  1.00  0.00           C  
HETATM   17  C   UNL     1       0.117  -1.881  -2.941  1.00  0.00           C  
HETATM   18  N   UNL     1       0.318  -0.900  -0.662  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.079  -1.199  -0.338  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.899   0.092  -0.372  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.296  -0.208  -0.048  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.208   0.784  -0.018  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.872   1.928  -0.261  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.607   0.484   0.307  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.627   1.388   0.371  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.784   0.669   0.712  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.423  -0.627   0.839  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.111  -0.735   0.589  1.00  0.00           O  
HETATM   29  H   UNL     1       2.170  -1.372   2.815  1.00  0.00           H  
HETATM   30  H   UNL     1       3.582  -3.323   3.327  1.00  0.00           H  
HETATM   31  H   UNL     1       4.340  -4.804   1.511  1.00  0.00           H  
HETATM   32  H   UNL     1       3.689  -4.331  -0.816  1.00  0.00           H  
HETATM   33  H   UNL     1       2.280  -2.378  -1.328  1.00  0.00           H  
HETATM   34  H   UNL     1       0.743  -0.243   1.295  1.00  0.00           H  
HETATM   35  H   UNL     1       2.591   1.336   1.833  1.00  0.00           H  
HETATM   36  H   UNL     1       4.327   3.442  -1.451  1.00  0.00           H  
HETATM   37  H   UNL     1       3.265   1.883  -3.029  1.00  0.00           H  
HETATM   38  H   UNL     1       0.591  -1.769  -3.916  1.00  0.00           H  
HETATM   39  H   UNL     1       0.243  -2.906  -2.591  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.946  -1.655  -3.025  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.479  -1.903  -1.067  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.135  -1.638   0.659  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.500   0.796   0.358  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.844   0.531  -1.368  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.564  -1.120   0.146  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.558   2.452   0.195  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.775   1.075   0.847  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.083  -1.442   1.096  1.00  0.00           H  
CONECT    1    2    6    6   29                                       
CONECT    2    1    3    3   30                                       
CONECT    3    2    2    4   31                                       
CONECT    4    3    5    5   32                                       
CONECT    5    4    4    6   33                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8   18   34                                       
CONECT    8    7    9   14   14                                       
CONECT    9    8   10   10   35                                       
CONECT   10    9    9   11   12                                       
CONECT   11   10                                                      
CONECT   12   10   13   13   36                                       
CONECT   13   12   12   14   37                                       
CONECT   14    8    8   13   15                                       
CONECT   15   14   16   16                                            
CONECT   16   15   15   17   18                                       
CONECT   17   16   38   39   40                                       
CONECT   18    7   16   19                                            
CONECT   19   18   20   41   42                                       
CONECT   20   19   21   43   44                                       
CONECT   21   20   22   45                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   25   28                                       
CONECT   25   24   24   26   46                                       
CONECT   26   25   27   27   47                                       
CONECT   27   26   26   28   48                                       
CONECT   28   24   27                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
