COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      84.328  98.568 107.055  1.00  0.00           C  
HETATM    2  C   UNL     1      83.218  97.670 106.564  1.00  0.00           C  
HETATM    3  C   UNL     1      83.532  96.376 106.409  1.00  0.00           C  
HETATM    4  S   UNL     1      82.190  95.376 105.833  1.00  0.00           S  
HETATM    5  C   UNL     1      80.984  96.501 105.064  1.00  0.00           C  
HETATM    6  C   UNL     1      81.445  97.971 105.054  1.00  0.00           C  
HETATM    7  O   UNL     1      82.011  98.276 106.331  1.00  0.00           O  
HETATM    8  C   UNL     1      84.878  95.833 106.695  1.00  0.00           C  
HETATM    9  O   UNL     1      85.879  96.449 106.332  1.00  0.00           O  
HETATM   10  N   UNL     1      85.006  94.679 107.343  1.00  0.00           N  
HETATM   11  C   UNL     1      86.294  94.159 107.616  1.00  0.00           C  
HETATM   12  C   UNL     1      86.577  92.814 107.351  1.00  0.00           C  
HETATM   13  C   UNL     1      87.851  92.300 107.621  1.00  0.00           C  
HETATM   14  C   UNL     1      88.842  93.132 108.156  1.00  0.00           C  
HETATM   15  C   UNL     1      88.559  94.477 108.421  1.00  0.00           C  
HETATM   16  C   UNL     1      87.285  94.991 108.151  1.00  0.00           C  
HETATM   17  H   UNL     1      85.215  98.472 106.387  1.00  0.00           H  
HETATM   18  H   UNL     1      84.067  99.644 107.184  1.00  0.00           H  
HETATM   19  H   UNL     1      84.748  98.165 108.006  1.00  0.00           H  
HETATM   20  H   UNL     1      79.985  96.402 105.548  1.00  0.00           H  
HETATM   21  H   UNL     1      80.724  96.160 104.035  1.00  0.00           H  
HETATM   22  H   UNL     1      80.628  98.674 104.769  1.00  0.00           H  
HETATM   23  H   UNL     1      82.141  98.196 104.212  1.00  0.00           H  
HETATM   24  H   UNL     1      84.145  94.208 107.621  1.00  0.00           H  
HETATM   25  H   UNL     1      85.796  92.159 106.929  1.00  0.00           H  
HETATM   26  H   UNL     1      88.074  91.240 107.412  1.00  0.00           H  
HETATM   27  H   UNL     1      89.846  92.728 108.369  1.00  0.00           H  
HETATM   28  H   UNL     1      89.340  95.132 108.843  1.00  0.00           H  
HETATM   29  H   UNL     1      87.062  96.051 108.360  1.00  0.00           H  
CONECT    1    2   17   18   19                                       
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4    8                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   20   21                                       
CONECT    6    5    7   22   23                                       
CONECT    7    2    6                                                 
CONECT    8    3    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   24                                            
CONECT   11   10   12   16   16                                       
CONECT   12   11   13   13   25                                       
CONECT   13   12   12   14   26                                       
CONECT   14   13   15   15   27                                       
CONECT   15   14   14   16   28                                       
CONECT   16   11   11   15   29                                       
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    6                                                      
CONECT   24   10                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   14                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
