COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.643  -1.647   0.320  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.640  -2.215   1.102  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.906  -1.663   1.114  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.181  -0.545   0.348  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.190   0.023  -0.433  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.921  -0.525  -0.449  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.564   0.055   0.363  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.359  -2.201   0.311  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.254  -1.380   0.233  1.00  0.00           C  
HETATM   10  S   UNL     1      -0.308   0.327   0.304  1.00  0.00           S  
HETATM   11  C   UNL     1       1.444   0.407   0.135  1.00  0.00           C  
HETATM   12  C   UNL     1       1.916  -0.887   0.038  1.00  0.00           C  
HETATM   13  N   UNL     1       0.969  -1.799   0.101  1.00  0.00           N  
HETATM   14  C   UNL     1       3.352  -1.217  -0.117  1.00  0.00           C  
HETATM   15  C   UNL     1       4.304  -0.595   0.689  1.00  0.00           C  
HETATM   16  C   UNL     1       5.640  -0.907   0.540  1.00  0.00           C  
HETATM   17  C   UNL     1       6.035  -1.835  -0.407  1.00  0.00           C  
HETATM   18  C   UNL     1       5.095  -2.456  -1.209  1.00  0.00           C  
HETATM   19  C   UNL     1       3.756  -2.157  -1.066  1.00  0.00           C  
HETATM   20  C   UNL     1       2.226   1.585   0.103  1.00  0.00           C  
HETATM   21  O   UNL     1       3.417   1.518  -0.138  1.00  0.00           O  
HETATM   22  O   UNL     1       1.651   2.783   0.339  1.00  0.00           O  
HETATM   23  C   UNL     1       2.501   3.931   0.291  1.00  0.00           C  
HETATM   24  C   UNL     1       1.677   5.188   0.581  1.00  0.00           C  
HETATM   25 CL   UNL     1      -4.541   1.426  -1.395  1.00  0.00          Cl  
HETATM   26  H   UNL     1      -3.427  -3.088   1.701  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.682  -2.104   1.722  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.148  -0.081  -1.058  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.626   0.805   1.152  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.767   0.523  -0.600  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.298  -0.729   0.548  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.246  -3.163   0.359  1.00  0.00           H  
HETATM   33  H   UNL     1       3.997   0.131   1.428  1.00  0.00           H  
HETATM   34  H   UNL     1       6.379  -0.425   1.164  1.00  0.00           H  
HETATM   35  H   UNL     1       7.082  -2.075  -0.520  1.00  0.00           H  
HETATM   36  H   UNL     1       5.410  -3.179  -1.947  1.00  0.00           H  
HETATM   37  H   UNL     1       3.022  -2.646  -1.690  1.00  0.00           H  
HETATM   38  H   UNL     1       3.288   3.832   1.038  1.00  0.00           H  
HETATM   39  H   UNL     1       2.948   4.011  -0.700  1.00  0.00           H  
HETATM   40  H   UNL     1       0.890   5.287  -0.166  1.00  0.00           H  
HETATM   41  H   UNL     1       1.230   5.108   1.572  1.00  0.00           H  
HETATM   42  H   UNL     1       2.326   6.063   0.544  1.00  0.00           H  
CONECT    1    2    8    6    6                                       
CONECT    2    3    3    1   26                                       
CONECT    3    2    2    4   27                                       
CONECT    4    3    7    5    5                                       
CONECT    5    4    4    6   25                                       
CONECT    6    1    1    5   28                                       
CONECT    7    4   29   30   31                                       
CONECT    8    1    9   32                                            
CONECT    9    8   13   13   10                                       
CONECT   10    9   11                                                 
CONECT   11   12   12   10   20                                       
CONECT   12   13   14   11   11                                       
CONECT   13    9    9   12                                            
CONECT   14   15   12   19   19                                       
CONECT   15   16   16   14   33                                       
CONECT   16   15   15   17   34                                       
CONECT   17   16   18   18   35                                       
CONECT   18   17   17   19   36                                       
CONECT   19   14   14   18   37                                       
CONECT   20   11   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   20   23                                                 
CONECT   23   22   24   38   39                                       
CONECT   24   23   40   41   42                                       
CONECT   25    5                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
