COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.446   0.018  -0.671  1.00  0.00           C  
HETATM    2  C   UNL     1       5.369  -1.604   0.833  1.00  0.00           C  
HETATM    3  C   UNL     1       4.504  -1.186   1.829  1.00  0.00           C  
HETATM    4  C   UNL     1       3.611  -0.163   1.587  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.290  -0.496   0.933  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.555  -0.893   0.537  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.473  -1.943   1.032  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.601  -1.941   0.309  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.507  -0.885  -0.717  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.350  -0.602  -1.546  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.183  -0.236  -0.540  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.541   0.799  -1.197  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.272   1.194  -0.794  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.648   0.556   0.266  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.379   0.956   0.665  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.890   2.062  -0.169  1.00  0.00           C  
HETATM   17  C   UNL     1       0.426   2.592   0.412  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.442  -0.175   0.652  1.00  0.00           C  
HETATM   19  C   UNL     1       0.892   0.263   1.266  1.00  0.00           C  
HETATM   20  N   UNL     1       1.359   1.465   0.560  1.00  0.00           N  
HETATM   21  C   UNL     1       2.609   1.533   0.061  1.00  0.00           C  
HETATM   22  O   UNL     1       2.945   2.489  -0.610  1.00  0.00           O  
HETATM   23  C   UNL     1       3.572   0.444   0.330  1.00  0.00           C  
HETATM   24  C   UNL     1       5.340  -1.003  -0.414  1.00  0.00           C  
HETATM   25 CL   UNL     1       6.429  -1.535  -1.657  1.00  0.00          Cl  
HETATM   26  H   UNL     1       4.421   0.483  -1.645  1.00  0.00           H  
HETATM   27  H   UNL     1       6.069  -2.402   1.030  1.00  0.00           H  
HETATM   28  H   UNL     1       4.532  -1.658   2.800  1.00  0.00           H  
HETATM   29  H   UNL     1       2.936   0.162   2.366  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.800  -0.993   1.758  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.265  -2.612   1.854  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.442  -2.603   0.455  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.026   1.299  -2.022  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.771   2.002  -1.307  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.721   1.705  -1.185  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.630   2.862  -0.183  1.00  0.00           H  
HETATM   37  H   UNL     1       0.851   3.334  -0.264  1.00  0.00           H  
HETATM   38  H   UNL     1       0.239   3.047   1.385  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.858  -0.998   1.234  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.280  -0.502  -0.375  1.00  0.00           H  
HETATM   41  H   UNL     1       0.751   0.491   2.323  1.00  0.00           H  
HETATM   42  H   UNL     1       1.625  -0.536   1.159  1.00  0.00           H  
CONECT    1   24   23   23   26                                       
CONECT    2   24   24    3   27                                       
CONECT    3    2    4    4   28                                       
CONECT    4    3    3   23   29                                       
CONECT    5   14    6    6   30                                       
CONECT    6    5    5   11    7                                       
CONECT    7    6    8    8   31                                       
CONECT    8    7    7    9   32                                       
CONECT    9   11   10   10    8                                       
CONECT   10    9    9                                                 
CONECT   11   12   12    6    9                                       
CONECT   12   13   11   11   33                                       
CONECT   13   14   14   12   34                                       
CONECT   14   15   13   13    5                                       
CONECT   15   16   18   14                                            
CONECT   16   17   15   35   36                                       
CONECT   17   20   16   37   38                                       
CONECT   18   19   15   39   40                                       
CONECT   19   20   18   41   42                                       
CONECT   20   21   17   19                                            
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23    1    1    4   21                                       
CONECT   24   25    2    2    1                                       
CONECT   25   24                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
