COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       6.164  -0.423   0.890  1.00  0.00          Cl  
HETATM    2  C   UNL     1       4.456  -0.160   0.722  1.00  0.00           C  
HETATM    3  C   UNL     1       3.971   1.123   0.532  1.00  0.00           C  
HETATM    4  C   UNL     1       2.615   1.337   0.394  1.00  0.00           C  
HETATM    5  C   UNL     1       3.585  -1.235   0.773  1.00  0.00           C  
HETATM    6  C   UNL     1       2.227  -1.031   0.640  1.00  0.00           C  
HETATM    7  C   UNL     1       1.733   0.258   0.444  1.00  0.00           C  
HETATM    8  C   UNL     1       0.276   0.482   0.296  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.505  -0.591  -0.351  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.013  -1.377  -1.470  1.00  0.00           C  
HETATM   11  C   UNL     1       1.334  -1.148  -2.106  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.854  -2.311  -1.879  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.589  -3.265  -3.015  1.00  0.00           C  
HETATM   14  S   UNL     1      -2.320  -2.287  -0.919  1.00  0.00           S  
HETATM   15  C   UNL     1      -1.774  -0.977   0.026  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.519  -0.347   1.026  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.406  -0.886   1.896  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.794  -2.339   1.999  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.860   0.097   2.630  1.00  0.00           N  
HETATM   20  N   UNL     1      -3.308   1.205   2.271  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.474   0.984   1.296  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.197   1.598   0.751  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.600   1.983   0.584  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.952   2.001  -0.905  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.164   3.085  -1.594  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.400   3.773  -0.960  1.00  0.00           O  
HETATM   27  H   UNL     1       4.655   1.958   0.493  1.00  0.00           H  
HETATM   28  H   UNL     1       2.238   2.338   0.246  1.00  0.00           H  
HETATM   29  H   UNL     1       3.968  -2.234   0.917  1.00  0.00           H  
HETATM   30  H   UNL     1       1.548  -1.870   0.679  1.00  0.00           H  
HETATM   31  H   UNL     1       2.063  -1.828  -1.666  1.00  0.00           H  
HETATM   32  H   UNL     1       1.265  -1.333  -3.178  1.00  0.00           H  
HETATM   33  H   UNL     1       1.646  -0.118  -1.934  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.104  -4.163  -2.630  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.532  -3.537  -3.490  1.00  0.00           H  
HETATM   36  H   UNL     1       0.062  -2.787  -3.747  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.645  -2.535   1.347  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.953  -2.962   1.695  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.064  -2.571   3.029  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.759   2.974   1.008  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.706   1.036  -1.348  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.018   2.194  -1.024  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.786   3.993  -3.311  1.00  0.00           H  
HETATM   44  O   UNL     1      -1.312   3.286  -2.913  1.00  0.00           O  
CONECT    1    2                                                      
CONECT    2    3    3    5    1                                       
CONECT    3    4    2    2   27                                       
CONECT    4    7    7    3   28                                       
CONECT    5    6    6    2   29                                       
CONECT    6    7    5    5   30                                       
CONECT    7    8    4    4    6                                       
CONECT    8    9   22   22    7                                       
CONECT    9   15   15   10    8                                       
CONECT   10   12   12    9   11                                       
CONECT   11   10   31   32   33                                       
CONECT   12   14   13   10   10                                       
CONECT   13   12   34   35   36                                       
CONECT   14   12   15                                                 
CONECT   15   14   16    9    9                                       
CONECT   16   17   15   21                                            
CONECT   17   18   19   19   16                                       
CONECT   18   17   37   38   39                                       
CONECT   19   17   17   20                                            
CONECT   20   19   21   21                                            
CONECT   21   16   20   20   23                                       
CONECT   22   23    8    8                                            
CONECT   23   21   24   22   40                                       
CONECT   24   23   25   41   42                                       
CONECT   25   26   26   24   44                                       
CONECT   26   25   25                                                 
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   44                                                      
CONECT   44   25   43                                                 
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
