COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.560  65.056  61.622  1.00  0.00           C  
HETATM    2  C   UNL     1      10.048  65.901  60.642  1.00  0.00           C  
HETATM    3  C   UNL     1       8.698  66.243  60.646  1.00  0.00           C  
HETATM    4  I   UNL     1       7.907  67.539  59.191  1.00  0.00           I  
HETATM    5  C   UNL     1       7.868  65.734  61.639  1.00  0.00           C  
HETATM    6  C   UNL     1       8.379  64.891  62.617  1.00  0.00           C  
HETATM    7  C   UNL     1       9.724  64.546  62.608  1.00  0.00           C  
HETATM    8  N   UNL     1      10.186  63.742  63.562  1.00  0.00           N  
HETATM    9  C   UNL     1      11.374  63.146  63.494  1.00  0.00           C  
HETATM   10  S   UNL     1      11.846  62.172  64.716  1.00  0.00           S  
HETATM   11  O   UNL     1      12.188  63.327  62.419  1.00  0.00           O  
HETATM   12  C   UNL     1      13.245  62.348  62.398  1.00  0.00           C  
HETATM   13  C   UNL     1      14.176  62.645  61.216  1.00  0.00           C  
HETATM   14  N   UNL     1      13.391  62.710  59.972  1.00  0.00           N  
HETATM   15  C   UNL     1      12.877  63.815  59.446  1.00  0.00           C  
HETATM   16  O   UNL     1      12.994  64.948  59.914  1.00  0.00           O  
HETATM   17  C   UNL     1      12.184  63.493  58.285  1.00  0.00           C  
HETATM   18  C   UNL     1      11.475  64.240  57.355  1.00  0.00           C  
HETATM   19  C   UNL     1      10.885  63.600  56.272  1.00  0.00           C  
HETATM   20  C   UNL     1      11.012  62.225  56.116  1.00  0.00           C  
HETATM   21  C   UNL     1      11.723  61.477  57.046  1.00  0.00           C  
HETATM   22  C   UNL     1      12.305  62.120  58.130  1.00  0.00           C  
HETATM   23  C   UNL     1      13.061  61.675  59.204  1.00  0.00           C  
HETATM   24  O   UNL     1      13.371  60.501  59.399  1.00  0.00           O  
HETATM   25  H   UNL     1      11.608  64.796  61.616  1.00  0.00           H  
HETATM   26  H   UNL     1      10.700  66.293  59.875  1.00  0.00           H  
HETATM   27  H   UNL     1       6.820  65.996  61.650  1.00  0.00           H  
HETATM   28  H   UNL     1       7.729  64.503  63.387  1.00  0.00           H  
HETATM   29  H   UNL     1       9.615  63.578  64.366  1.00  0.00           H  
HETATM   30  H   UNL     1      13.814  62.398  63.338  1.00  0.00           H  
HETATM   31  H   UNL     1      12.817  61.341  62.290  1.00  0.00           H  
HETATM   32  H   UNL     1      14.680  63.609  61.381  1.00  0.00           H  
HETATM   33  H   UNL     1      14.927  61.845  61.133  1.00  0.00           H  
HETATM   34  H   UNL     1      11.822  60.408  56.927  1.00  0.00           H  
HETATM   35  H   UNL     1      10.556  61.736  55.268  1.00  0.00           H  
HETATM   36  H   UNL     1      10.325  64.174  55.548  1.00  0.00           H  
HETATM   37  H   UNL     1      11.383  65.310  57.472  1.00  0.00           H  
CONECT    1    2    7    7   25                                       
CONECT    2    1    3    3   26                                       
CONECT    3    2    2    4    5                                       
CONECT    4    3                                                      
CONECT    5    3    6    6   27                                       
CONECT    6    5    5    7   28                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9   29                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   30   31                                       
CONECT   13   12   14   32   33                                       
CONECT   14   13   23   15                                            
CONECT   15   14   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   22   22   18   15                                       
CONECT   18   19   19   17   37                                       
CONECT   19   20   18   18   36                                       
CONECT   20   21   21   19   35                                       
CONECT   21   22   20   20   34                                       
CONECT   22   23   21   17   17                                       
CONECT   23   14   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   21                                                      
CONECT   35   20                                                      
CONECT   36   19                                                      
CONECT   37   18                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
