COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.979  -2.528   1.054  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.430  -1.411   0.111  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.314  -0.410  -0.062  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -0.815  -0.042  1.00  0.00           C  
HETATM    5  C   UNL     1       1.020   0.127  -0.200  1.00  0.00           C  
HETATM    6  C   UNL     1       0.699   1.474  -0.389  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.621   1.872  -0.412  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.632   0.933  -0.248  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.973   1.326  -0.265  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.925   0.491   0.200  1.00  0.00           C  
HETATM   11  S   UNL     1      -5.568   0.969   0.181  1.00  0.00           S  
HETATM   12  O   UNL     1      -3.580  -0.723   0.680  1.00  0.00           O  
HETATM   13  C   UNL     1       2.433  -0.300  -0.174  1.00  0.00           C  
HETATM   14  C   UNL     1       2.895  -1.575  -0.417  1.00  0.00           C  
HETATM   15  C   UNL     1       4.283  -1.553  -0.293  1.00  0.00           C  
HETATM   16  C   UNL     1       4.651  -0.260   0.019  1.00  0.00           C  
HETATM   17  N   UNL     1       3.507   0.503   0.086  1.00  0.00           N  
HETATM   18  C   UNL     1       3.450   1.935   0.393  1.00  0.00           C  
HETATM   19  C   UNL     1       5.988   0.207   0.235  1.00  0.00           C  
HETATM   20  N   UNL     1       7.048   0.577   0.406  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.805  -2.005  -1.249  1.00  0.00           C  
HETATM   22  H   UNL     1      -2.793  -3.239   1.192  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.118  -3.040   0.625  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.703  -2.100   2.018  1.00  0.00           H  
HETATM   25  H   UNL     1       0.243  -1.858   0.100  1.00  0.00           H  
HETATM   26  H   UNL     1       1.485   2.204  -0.517  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.868   2.913  -0.557  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.219   2.199  -0.610  1.00  0.00           H  
HETATM   29  H   UNL     1       2.290  -2.438  -0.657  1.00  0.00           H  
HETATM   30  H   UNL     1       4.950  -2.394  -0.419  1.00  0.00           H  
HETATM   31  H   UNL     1       3.417   2.504  -0.536  1.00  0.00           H  
HETATM   32  H   UNL     1       2.557   2.146   0.980  1.00  0.00           H  
HETATM   33  H   UNL     1       4.335   2.220   0.962  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.117  -1.206  -1.921  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.942  -2.519  -1.671  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.624  -2.714  -1.122  1.00  0.00           H  
CONECT    1    2   22   23   24                                       
CONECT    2    1    3   12   21                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   25                                       
CONECT    5    4    6    6   13                                       
CONECT    6    5    5    7   26                                       
CONECT    7    6    8    8   27                                       
CONECT    8    3    7    7    9                                       
CONECT    9    8   10   28                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12    2   10                                                 
CONECT   13    5   14   14   17                                       
CONECT   14   13   13   15   29                                       
CONECT   15   14   16   16   30                                       
CONECT   16   15   15   17   19                                       
CONECT   17   13   16   18                                            
CONECT   18   17   31   32   33                                       
CONECT   19   16   20   20   20                                       
CONECT   20   19   19   19                                            
CONECT   21    2   34   35   36                                       
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    4                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   18                                                      
CONECT   32   18                                                      
CONECT   33   18                                                      
CONECT   34   21                                                      
CONECT   35   21                                                      
CONECT   36   21                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
