COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      16.069   2.860  18.015  1.00  0.00           O  
HETATM    2  S   UNL     1      15.609   2.620  16.649  1.00  0.00           S  
HETATM    3  O   UNL     1      14.223   2.934  16.420  1.00  0.00           O  
HETATM    4  N   UNL     1      15.945   1.182  16.208  1.00  0.00           N  
HETATM    5  C   UNL     1      16.543   3.791  15.704  1.00  0.00           C  
HETATM    6  C   UNL     1      15.966   4.001  14.338  1.00  0.00           C  
HETATM    7  C   UNL     1      16.841   4.915  13.477  1.00  0.00           C  
HETATM    8  C   UNL     1      16.766   6.441  13.677  1.00  0.00           C2+
HETATM    9  B   UNL     1      18.263   7.184  13.255  1.00  0.00           B  
HETATM   10  B   UNL     1      18.387   8.566  14.271  1.00  0.00           B  
HETATM   11  B   UNL     1      17.679   7.066  14.922  1.00  0.00           B  
HETATM   12  B   UNL     1      17.059   9.617  13.891  1.00  0.00           B  
HETATM   13  B   UNL     1      17.848   8.712  12.577  1.00  0.00           B  
HETATM   14  B   UNL     1      16.964   8.607  15.335  1.00  0.00           B  
HETATM   15  B   UNL     1      15.901   7.231  14.970  1.00  0.00           B  
HETATM   16  B   UNL     1      15.508   8.784  14.300  1.00  0.00           B  
HETATM   17  B   UNL     1      15.348   7.392  13.300  1.00  0.00           B  
HETATM   18  B   UNL     1      16.111   8.882  12.606  1.00  0.00           B  
HETATM   19  C   UNL     1      16.803   7.383  12.315  1.00  0.00           C1+
HETATM   20  H   UNL     1      15.623   1.036  15.272  1.00  0.00           H  
HETATM   21  H   UNL     1      16.935   1.045  16.245  1.00  0.00           H  
HETATM   22  H   UNL     1      16.550   4.753  16.238  1.00  0.00           H  
HETATM   23  H   UNL     1      17.574   3.422  15.601  1.00  0.00           H  
HETATM   24  H   UNL     1      15.873   3.025  13.838  1.00  0.00           H  
HETATM   25  H   UNL     1      14.970   4.457  14.440  1.00  0.00           H  
HETATM   26  H   UNL     1      17.885   4.619  13.655  1.00  0.00           H  
HETATM   27  H   UNL     1      16.577   4.716  12.428  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   20   21                                            
CONECT    5    2    6   22   23                                       
CONECT    6    5    7   24   25                                       
CONECT    7    6    8   26   27                                       
CONECT    8    7    9   11   15                                       
CONECT    8   19   17                                                 
CONECT    9    8   10   11   13                                       
CONECT    9   19                                                      
CONECT   10    9   11   12   13                                       
CONECT   10   14                                                      
CONECT   11    8    9   10   14                                       
CONECT   11   15                                                      
CONECT   12   10   13   14   18                                       
CONECT   12   16                                                      
CONECT   13    9   10   12   18                                       
CONECT   13   19                                                      
CONECT   14   10   11   12   15                                       
CONECT   14   16                                                      
CONECT   15    8   11   14   16                                       
CONECT   15   17                                                      
CONECT   16   15   17   18   14                                       
CONECT   16   12                                                      
CONECT   17   15   16   19   18                                       
CONECT   17    8                                                      
CONECT   18   12   13   19   16                                       
CONECT   18   17                                                      
CONECT   19    8   13   18   17                                       
CONECT   19    9                                                      
CONECT   20    4                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
