COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.824   4.560  -0.600  1.00  0.00           C  
HETATM    2  O   UNL     1       4.013   3.878  -0.197  1.00  0.00           O  
HETATM    3  C   UNL     1       3.699   2.560  -0.111  1.00  0.00           C  
HETATM    4  C   UNL     1       4.670   1.639   0.265  1.00  0.00           C  
HETATM    5  C   UNL     1       4.356   0.301   0.354  1.00  0.00           C  
HETATM    6  C   UNL     1       2.408   2.134  -0.398  1.00  0.00           C  
HETATM    7  C   UNL     1       2.087   0.797  -0.317  1.00  0.00           C  
HETATM    8  C   UNL     1       3.059  -0.130   0.066  1.00  0.00           C  
HETATM    9  C   UNL     1       2.717  -1.565   0.161  1.00  0.00           C  
HETATM   10  O   UNL     1       3.600  -2.393   0.313  1.00  0.00           O  
HETATM   11  C   UNL     1       1.373  -1.976   0.076  1.00  0.00           C  
HETATM   12  S   UNL     1      -0.109  -0.980   0.042  1.00  0.00           S  
HETATM   13  C   UNL     1       0.854  -3.259  -0.009  1.00  0.00           C  
HETATM   14  N   UNL     1       1.691  -4.350  -0.019  1.00  0.00           N  
HETATM   15  N   UNL     1      -0.479  -3.421  -0.082  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.296  -2.310  -0.070  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.610  -2.246  -0.132  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.238  -1.029  -0.106  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.276  -0.757  -1.001  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.906   0.470  -0.970  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.510   1.433  -0.053  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.134   2.641  -0.027  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.513   3.404   1.009  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.476   1.169   0.834  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.844  -0.057   0.815  1.00  0.00           C  
HETATM   26  H   UNL     1       2.494   4.176  -1.565  1.00  0.00           H  
HETATM   27  H   UNL     1       2.042   4.396   0.142  1.00  0.00           H  
HETATM   28  H   UNL     1       3.028   5.627  -0.683  1.00  0.00           H  
HETATM   29  H   UNL     1       5.673   1.974   0.487  1.00  0.00           H  
HETATM   30  H   UNL     1       5.111  -0.413   0.647  1.00  0.00           H  
HETATM   31  H   UNL     1       1.656   2.852  -0.690  1.00  0.00           H  
HETATM   32  H   UNL     1       1.083   0.467  -0.540  1.00  0.00           H  
HETATM   33  H   UNL     1       1.320  -5.246  -0.006  1.00  0.00           H  
HETATM   34  H   UNL     1       2.653  -4.224  -0.038  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.862  -4.310  -0.142  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.584  -1.506  -1.715  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.708   0.681  -1.662  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.983   4.386   1.068  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.631   2.888   1.962  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.452   3.522   0.788  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.171   1.922   1.546  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.042  -0.262   1.509  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4    8    8   30                                       
CONECT    6    3    7    7   31                                       
CONECT    7    6    6    8   32                                       
CONECT    8    5    5    7    9                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   13   13                                       
CONECT   12   11   16                                                 
CONECT   13   11   11   14   15                                       
CONECT   14   13   33   34                                            
CONECT   15   13   16   35                                            
CONECT   16   12   15   17   17                                       
CONECT   17   16   16   18                                            
CONECT   18   17   19   19   25                                       
CONECT   19   18   18   20   36                                       
CONECT   20   19   21   21   37                                       
CONECT   21   20   20   22   24                                       
CONECT   22   21   23                                                 
CONECT   23   22   38   39   40                                       
CONECT   24   21   25   25   41                                       
CONECT   25   18   24   24   42                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
