COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.531   0.962   0.085  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.914   1.134   0.330  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.908  -0.990  -0.165  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.658  -0.403  -0.168  1.00  0.00           C  
HETATM    5  C   UNL     1       3.826  -0.220   1.577  1.00  0.00           C  
HETATM    6 CL   UNL     1      -7.605  -0.963   0.069  1.00  0.00          Cl  
HETATM    7 CL   UNL     1      -5.068  -2.690  -0.480  1.00  0.00          Cl  
HETATM    8  C   UNL     1       4.244  -2.281   2.720  1.00  0.00           C  
HETATM    9  C   UNL     1       4.331  -2.937   1.507  1.00  0.00           C  
HETATM   10  C   UNL     1       4.170  -2.233   0.328  1.00  0.00           C  
HETATM   11  N   UNL     1       4.261  -2.936  -0.972  1.00  0.00           N  
HETATM   12  O   UNL     1       4.581  -4.111  -1.008  1.00  0.00           O  
HETATM   13  O   UNL     1       4.017  -2.339  -2.005  1.00  0.00           O  
HETATM   14  C   UNL     1       3.918  -0.875   0.363  1.00  0.00           C  
HETATM   15  C   UNL     1       3.742  -0.108  -0.923  1.00  0.00           C  
HETATM   16  C   UNL     1       3.595   1.360  -0.615  1.00  0.00           C  
HETATM   17  N   UNL     1       2.426   1.848  -0.305  1.00  0.00           N  
HETATM   18  N   UNL     1       1.290   1.030  -0.357  1.00  0.00           N  
HETATM   19  C   UNL     1       0.034   1.572  -0.133  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.083   0.913  -0.155  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.191   1.598   0.082  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.668   1.728   0.335  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.035  -0.222   0.079  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.018   2.911   0.321  1.00  0.00           C  
HETATM   25  S   UNL     1      -0.293   3.263   0.234  1.00  0.00           S  
HETATM   26  C   UNL     1       4.729   2.212  -0.663  1.00  0.00           C  
HETATM   27  O   UNL     1       5.800   1.778  -1.041  1.00  0.00           O  
HETATM   28  O   UNL     1       4.618   3.504  -0.289  1.00  0.00           O  
HETATM   29  C   UNL     1       3.992  -0.922   2.755  1.00  0.00           C  
HETATM   30  H   UNL     1      -6.795   1.728   0.520  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.780  -1.000  -0.367  1.00  0.00           H  
HETATM   32  H   UNL     1       3.629   0.842   1.604  1.00  0.00           H  
HETATM   33  H   UNL     1       4.374  -2.830   3.641  1.00  0.00           H  
HETATM   34  H   UNL     1       4.527  -3.999   1.480  1.00  0.00           H  
HETATM   35  H   UNL     1       4.614  -0.260  -1.559  1.00  0.00           H  
HETATM   36  H   UNL     1       2.850  -0.462  -1.438  1.00  0.00           H  
HETATM   37  H   UNL     1       1.382   0.083  -0.549  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.575   2.786   0.531  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.800   3.625   0.533  1.00  0.00           H  
HETATM   40  H   UNL     1       5.443   4.004  -0.356  1.00  0.00           H  
HETATM   41  H   UNL     1       3.924  -0.410   3.704  1.00  0.00           H  
CONECT    1   22   21    4    4                                       
CONECT    2   22   22   23   30                                       
CONECT    3   23   23    4    7                                       
CONECT    4    1    1    3   31                                       
CONECT    5   29   29   14   32                                       
CONECT    6   23                                                      
CONECT    7    3                                                      
CONECT    8    9    9   29   33                                       
CONECT    9    8    8   10   34                                       
CONECT   10    9   11   14   14                                       
CONECT   11   13   13   12   12                                       
CONECT   11   10                                                      
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   10   10    5   15                                       
CONECT   15   14   16   35   36                                       
CONECT   16   15   26   17   17                                       
CONECT   17   16   16   18                                            
CONECT   18   17   19   37                                            
CONECT   19   18   20   20   25                                       
CONECT   20   19   19   21                                            
CONECT   21   20    1   24   24                                       
CONECT   22    2    2    1   38                                       
CONECT   23    2    6    3    3                                       
CONECT   24   25   21   21   39                                       
CONECT   25   19   24                                                 
CONECT   26   27   27   16   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   40                                                 
CONECT   29    8    5    5   41                                       
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   22                                                      
CONECT   39   24                                                      
CONECT   40   28                                                      
CONECT   41   29                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
