COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.974   8.494  83.297  1.00  0.00           C1+
HETATM    2  B   UNL     1      -1.637   8.510  84.906  1.00  0.00           B  
HETATM    3  B   UNL     1      -0.093   9.364  84.493  1.00  0.00           B  
HETATM    4  B   UNL     1      -1.189   6.948  85.588  1.00  0.00           B  
HETATM    5  B   UNL     1      -0.173   8.343  85.937  1.00  0.00           B  
HETATM    6  B   UNL     1      -1.746   7.052  83.900  1.00  0.00           B  
HETATM    7  B   UNL     1      -0.272   7.015  82.852  1.00  0.00           B  
HETATM    8  B   UNL     1       0.734   8.429  83.241  1.00  0.00           B  
HETATM    9  B   UNL     1       0.597   6.778  85.575  1.00  0.00           B  
HETATM   10  B   UNL     1       1.160   6.808  83.884  1.00  0.00           B  
HETATM   11  B   UNL     1       1.276   8.283  84.923  1.00  0.00           B  
HETATM   12  C   UNL     1      -0.339   6.102  84.277  1.00  0.00           C2+
HETATM   13  C   UNL     1      -0.297   4.577  84.146  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.192   3.688  85.025  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.583   3.442  86.382  1.00  0.00           C  
HETATM   16  S   UNL     1      -1.573   2.380  87.403  1.00  0.00           S  
HETATM   17  O   UNL     1      -1.082   2.641  88.776  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.958   2.699  87.151  1.00  0.00           O  
HETATM   19  N   UNL     1      -1.256   0.899  86.969  1.00  0.00           N  
HETATM   20  H   UNL     1      -0.552   4.344  83.102  1.00  0.00           H  
HETATM   21  H   UNL     1       0.741   4.273  84.346  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.165   4.183  85.157  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.338   2.721  84.521  1.00  0.00           H  
HETATM   24  H   UNL     1       0.404   2.976  86.244  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.464   4.409  86.893  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.796   0.266  87.523  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.487   0.778  86.004  1.00  0.00           H  
CONECT    1    2    3    6    7                                       
CONECT    1    8                                                      
CONECT    2    1    4    6                                            
CONECT    3    1    5    8                                            
CONECT    4    2    5    6    9                                       
CONECT    5    3    4    9   11                                       
CONECT    6    1    2    4   12                                       
CONECT    7    1    8   10   12                                       
CONECT    8    1    3    7   11                                       
CONECT    9    4    5   10   11                                       
CONECT    9   12                                                      
CONECT   10    7    9   12                                            
CONECT   11    5    8    9                                            
CONECT   12    6    7    9   10                                       
CONECT   12   13                                                      
CONECT   13   12   14   20   21                                       
CONECT   14   13   15   22   23                                       
CONECT   15   14   16   24   25                                       
CONECT   16   15   17   17   18                                       
CONECT   16   18   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16   26   27                                            
CONECT   20   13                                                      
CONECT   21   13                                                      
CONECT   22   14                                                      
CONECT   23   14                                                      
CONECT   24   15                                                      
CONECT   25   15                                                      
CONECT   26   19                                                      
CONECT   27   19                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
