COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.151  -4.182   3.048  1.00  0.00           O  
HETATM    2  N   UNL     1       0.429  -3.129   2.300  1.00  0.00           N  
HETATM    3  C   UNL     1       0.363  -1.863   2.756  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.193  -1.624   3.806  1.00  0.00           O  
HETATM    5  C   UNL     1       0.982  -0.743   1.960  1.00  0.00           C  
HETATM    6  C   UNL     1       0.632   0.597   2.609  1.00  0.00           C  
HETATM    7  C   UNL     1       1.124   0.609   4.061  1.00  0.00           C  
HETATM    8  C   UNL     1       2.654   0.562   4.070  1.00  0.00           C  
HETATM    9  O   UNL     1       3.176   1.711   3.406  1.00  0.00           O  
HETATM   10  C   UNL     1       2.839   1.601   2.025  1.00  0.00           C  
HETATM   11  C   UNL     1       1.325   1.733   1.848  1.00  0.00           C  
HETATM   12  S   UNL     1      -1.164   0.841   2.573  1.00  0.00           S  
HETATM   13  O   UNL     1      -1.852  -0.245   3.176  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.514   2.194   2.832  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.560   0.656   0.866  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.878  -0.591   0.363  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.189  -0.739  -0.974  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.182   0.365  -1.813  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.863   1.616  -1.305  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.557   1.760   0.033  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.488   0.222  -3.129  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.311   0.076  -3.792  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.123  -0.025  -3.084  1.00  0.00           C  
HETATM   24  C   UNL     1       1.072  -0.174  -3.760  1.00  0.00           C  
HETATM   25  C   UNL     1       1.084  -0.221  -5.143  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.099  -0.120  -5.851  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.297   0.022  -5.179  1.00  0.00           C  
HETATM   28 CL   UNL     1       2.588  -0.409  -5.991  1.00  0.00          Cl  
HETATM   29  H   UNL     1       0.005  -4.997   2.552  1.00  0.00           H  
HETATM   30  H   UNL     1       0.875  -3.320   1.460  1.00  0.00           H  
HETATM   31  H   UNL     1       2.064  -0.866   1.940  1.00  0.00           H  
HETATM   32  H   UNL     1       0.595  -0.764   0.941  1.00  0.00           H  
HETATM   33  H   UNL     1       0.784   1.520   4.554  1.00  0.00           H  
HETATM   34  H   UNL     1       0.729  -0.260   4.587  1.00  0.00           H  
HETATM   35  H   UNL     1       3.009   0.545   5.100  1.00  0.00           H  
HETATM   36  H   UNL     1       2.991  -0.337   3.557  1.00  0.00           H  
HETATM   37  H   UNL     1       3.340   2.392   1.466  1.00  0.00           H  
HETATM   38  H   UNL     1       3.165   0.632   1.648  1.00  0.00           H  
HETATM   39  H   UNL     1       1.074   1.669   0.789  1.00  0.00           H  
HETATM   40  H   UNL     1       0.994   2.693   2.245  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.883  -1.451   1.017  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.437  -1.715  -1.366  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.857   2.478  -1.956  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.308   2.733   0.429  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.132   0.011  -2.005  1.00  0.00           H  
HETATM   46  H   UNL     1       1.997  -0.254  -3.209  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.088  -0.157  -6.931  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.221   0.102  -5.732  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2    1    3   30                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   31   32                                       
CONECT    6    5    7   11   12                                       
CONECT    7    6    8   33   34                                       
CONECT    8    7    9   35   36                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   37   38                                       
CONECT   11    6   10   39   40                                       
CONECT   12    6   13   13   14                                       
CONECT   12   14   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   16   16   20                                       
CONECT   16   15   15   17   41                                       
CONECT   17   16   18   18   42                                       
CONECT   18   17   17   19   21                                       
CONECT   19   18   20   20   43                                       
CONECT   20   15   19   19   44                                       
CONECT   21   18   22                                                 
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   45                                       
CONECT   24   23   25   25   46                                       
CONECT   25   24   24   26   28                                       
CONECT   26   25   27   27   47                                       
CONECT   27   22   26   26   48                                       
CONECT   28   25                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
