COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.086  -0.147  -0.177  1.00  0.00           C  
HETATM    2  O   UNL     1       1.216  -1.740  -1.695  1.00  0.00           O  
HETATM    3  C   UNL     1       2.699  -0.618   0.059  1.00  0.00           C  
HETATM    4  C   UNL     1       5.012  -0.813   0.654  1.00  0.00           C  
HETATM    5  C   UNL     1       5.133   0.566   0.665  1.00  0.00           C  
HETATM    6  C   UNL     1       4.044   1.358   0.373  1.00  0.00           C  
HETATM    7  C   UNL     1       2.810   0.772   0.064  1.00  0.00           C  
HETATM    8  C   UNL     1       1.665   1.638  -0.245  1.00  0.00           C  
HETATM    9  C   UNL     1       0.264   1.204  -0.149  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.741   2.175  -0.026  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.060   1.800   0.063  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.406   0.447   0.033  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.826   0.043   0.129  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.409  -0.521  -0.088  1.00  0.00           C  
HETATM   15  C   UNL     1       3.797  -1.401   0.351  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.898   0.863   0.244  1.00  0.00           N  
HETATM   17  N   UNL     1      -5.945   0.111   0.298  1.00  0.00           N  
HETATM   18  N   UNL     1      -5.582  -1.121   0.223  1.00  0.00           N  
HETATM   19  N   UNL     1      -4.300  -1.189   0.115  1.00  0.00           N  
HETATM   20  O   UNL     1       1.888   2.777  -0.607  1.00  0.00           O  
HETATM   21  O   UNL     1       0.912  -2.324   0.716  1.00  0.00           O  
HETATM   22  S   UNL     1       1.159  -1.385  -0.320  1.00  0.00           S  
HETATM   23  H   UNL     1       5.869  -1.431   0.882  1.00  0.00           H  
HETATM   24  H   UNL     1       6.082   1.021   0.902  1.00  0.00           H  
HETATM   25  H   UNL     1       4.142   2.434   0.383  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.477   3.222  -0.002  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.830   2.552   0.156  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.675  -1.568  -0.111  1.00  0.00           H  
HETATM   29  H   UNL     1       3.707  -2.477   0.344  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.881   1.832   0.279  1.00  0.00           H  
CONECT    1   22   14    9    9                                       
CONECT    2   22   22                                                 
CONECT    3   15   15   22    7                                       
CONECT    4   15    5    5   23                                       
CONECT    5    4    4    6   24                                       
CONECT    6    5    7    7   25                                       
CONECT    7    3    6    6    8                                       
CONECT    8    7    9   20   20                                       
CONECT    9    1    1    8   10                                       
CONECT   10    9   11   11   26                                       
CONECT   11   12   10   10   27                                       
CONECT   12   14   14   13   11                                       
CONECT   13   16   12   19   19                                       
CONECT   14    1   12   12   28                                       
CONECT   15    4    3    3   29                                       
CONECT   16   17   13   30                                            
CONECT   17   16   18   18                                            
CONECT   18   17   17   19                                            
CONECT   19   13   13   18                                            
CONECT   20    8    8                                                 
CONECT   21   22   22                                                 
CONECT   22   21   21    3    1                                       
CONECT   22    2    2                                                 
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
CONECT   28   14                                                      
CONECT   29   15                                                      
CONECT   30   16                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
