COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.382   0.271   0.577  1.00  0.00           C  
HETATM    2  C   UNL     1       4.626   0.981   1.738  1.00  0.00           C  
HETATM    3  C   UNL     1       3.765   1.990   2.125  1.00  0.00           C  
HETATM    4  C   UNL     1       4.030   2.763   3.391  1.00  0.00           C  
HETATM    5  C   UNL     1       2.660   2.290   1.351  1.00  0.00           C  
HETATM    6  C   UNL     1       2.416   1.581   0.190  1.00  0.00           C  
HETATM    7  C   UNL     1       3.280   0.575  -0.200  1.00  0.00           C  
HETATM    8  S   UNL     1       2.969  -0.329  -1.680  1.00  0.00           S  
HETATM    9  O   UNL     1       2.172   0.511  -2.504  1.00  0.00           O  
HETATM   10  O   UNL     1       4.219  -0.864  -2.094  1.00  0.00           O  
HETATM   11  N   UNL     1       2.019  -1.623  -1.274  1.00  0.00           N  
HETATM   12  C   UNL     1       0.764  -1.414  -0.703  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.008  -0.328  -1.107  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.259  -0.117  -0.541  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.088   1.031  -0.962  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.601   1.935  -1.613  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.517   1.066  -0.582  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.389   1.964  -1.189  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.723   1.983  -0.821  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.196   1.114   0.146  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.341   0.214   0.759  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.998   0.181   0.400  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.070  -0.776   1.042  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.399  -1.368   2.053  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.744  -1.004   0.444  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.964  -2.093   0.843  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.424  -2.951   1.788  1.00  0.00           O  
HETATM   28  C   UNL     1       0.288  -2.296   0.263  1.00  0.00           C  
HETATM   29  O   UNL     1       1.047  -3.357   0.644  1.00  0.00           O  
HETATM   30  H   UNL     1       5.056  -0.517   0.274  1.00  0.00           H  
HETATM   31  H   UNL     1       5.490   0.746   2.342  1.00  0.00           H  
HETATM   32  H   UNL     1       4.652   3.629   3.164  1.00  0.00           H  
HETATM   33  H   UNL     1       3.085   3.096   3.819  1.00  0.00           H  
HETATM   34  H   UNL     1       4.547   2.123   4.106  1.00  0.00           H  
HETATM   35  H   UNL     1       1.987   3.079   1.653  1.00  0.00           H  
HETATM   36  H   UNL     1       1.552   1.816  -0.415  1.00  0.00           H  
HETATM   37  H   UNL     1       2.335  -2.526  -1.432  1.00  0.00           H  
HETATM   38  H   UNL     1       0.366   0.350  -1.860  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.025   2.645  -1.944  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.400   2.680  -1.292  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.239   1.138   0.424  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.716  -0.461   1.514  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.927  -3.696   1.431  1.00  0.00           H  
HETATM   44  H   UNL     1       1.637  -3.171   1.388  1.00  0.00           H  
CONECT    1    7    7    2   30                                       
CONECT    2    1    3    3   31                                       
CONECT    3    2    2    5    4                                       
CONECT    4    3   32   33   34                                       
CONECT    5    6    6    3   35                                       
CONECT    6    7    5    5   36                                       
CONECT    7    8    1    1    6                                       
CONECT    8   10   10    9    9                                       
CONECT    8   11    7                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   37                                            
CONECT   12   11   13   13   28                                       
CONECT   13   12   12   14   38                                       
CONECT   14   13   15   25   25                                       
CONECT   15   16   16   14   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   18   22                                       
CONECT   18   17   17   19   39                                       
CONECT   19   18   20   20   40                                       
CONECT   20   19   19   21   41                                       
CONECT   21   22   22   20   42                                       
CONECT   22   17   23   21   21                                       
CONECT   23   25   22   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   14   14   26   23                                       
CONECT   26   28   28   25   27                                       
CONECT   27   26   43                                                 
CONECT   28   12   29   26   26                                       
CONECT   29   28   44                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   27                                                      
CONECT   44   29                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
