COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.801   0.046  -0.651  1.00  0.00           O  
HETATM    2  C   UNL     1       3.622   0.441  -0.103  1.00  0.00           C  
HETATM    3  C   UNL     1       2.427   0.171  -0.755  1.00  0.00           C  
HETATM    4  C   UNL     1       3.610   1.109   1.112  1.00  0.00           C  
HETATM    5  C   UNL     1       2.410   1.510   1.668  1.00  0.00           C  
HETATM    6  C   UNL     1       1.222   1.244   1.014  1.00  0.00           C  
HETATM    7  C   UNL     1       1.230   0.573  -0.195  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.068   0.280  -0.902  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.708  -0.928  -0.270  1.00  0.00           C  
HETATM   10  C   UNL     1       0.013  -2.137  -0.282  1.00  0.00           C  
HETATM   11  O   UNL     1       1.121  -2.164  -0.780  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.562  -3.395   0.309  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.090  -3.335   0.217  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.568  -2.068   0.929  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.934  -0.857   0.289  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.635   0.319   0.291  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.133   1.435  -0.255  1.00  0.00           C  
HETATM   18  S   UNL     1      -3.062   2.872  -0.220  1.00  0.00           S  
HETATM   19  N   UNL     1      -0.922   1.454  -0.827  1.00  0.00           N  
HETATM   20  H   UNL     1       5.201   0.702  -1.238  1.00  0.00           H  
HETATM   21  H   UNL     1       2.433  -0.353  -1.699  1.00  0.00           H  
HETATM   22  H   UNL     1       4.539   1.316   1.624  1.00  0.00           H  
HETATM   23  H   UNL     1       2.401   2.030   2.614  1.00  0.00           H  
HETATM   24  H   UNL     1       0.285   1.558   1.450  1.00  0.00           H  
HETATM   25  H   UNL     1       0.141   0.063  -1.950  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.602   2.287  -1.207  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.196  -4.259  -0.246  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.262  -3.477   1.354  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.394  -3.305  -0.829  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.521  -4.212   0.701  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.652  -1.994   0.850  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.284  -2.113   1.980  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.516   0.345   0.696  1.00  0.00           H  
CONECT    1    2   20                                                 
CONECT    2    1    3    4    4                                       
CONECT    3    2    7    7   21                                       
CONECT    4    2    2    5   22                                       
CONECT    5    4    6    6   23                                       
CONECT    6    5    5    7   24                                       
CONECT    7    3    3    6    8                                       
CONECT    8    7    9   19   25                                       
CONECT    9    8   10   15   15                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   27   28                                       
CONECT   13   12   14   29   30                                       
CONECT   14   13   15   31   32                                       
CONECT   15    9    9   14   16                                       
CONECT   16   15   17   33                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19    8   17   26                                            
CONECT   20    1                                                      
CONECT   21    3                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    8                                                      
CONECT   26   19                                                      
CONECT   27   12                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   16                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
