COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.726  -0.093   0.531  1.00  0.00           C  
HETATM    2  C   UNL     1       4.711  -0.005  -0.433  1.00  0.00           C  
HETATM    3  C   UNL     1       5.035   1.227  -0.981  1.00  0.00           C  
HETATM    4  O   UNL     1       6.004   1.317  -1.930  1.00  0.00           O  
HETATM    5  C   UNL     1       4.368   2.368  -0.560  1.00  0.00           C  
HETATM    6  C   UNL     1       3.383   2.275   0.404  1.00  0.00           C  
HETATM    7  C   UNL     1       3.058   1.044   0.945  1.00  0.00           C  
HETATM    8  C   UNL     1       1.983   0.945   1.997  1.00  0.00           C  
HETATM    9  C   UNL     1       0.649   0.723   1.332  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.251   1.711   1.008  1.00  0.00           N  
HETATM   11  C   UNL     1       0.160  -0.464   0.960  1.00  0.00           C  
HETATM   12  O   UNL     1       0.650  -1.722   1.056  1.00  0.00           O  
HETATM   13  C   UNL     1       0.035  -2.729   0.384  1.00  0.00           C  
HETATM   14  C   UNL     1       0.698  -3.953   0.301  1.00  0.00           C  
HETATM   15  C   UNL     1       0.125  -5.014  -0.365  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.119  -4.884  -0.962  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.793  -3.684  -0.894  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.220  -2.602  -0.224  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.960  -1.311  -0.168  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.119  -1.192  -0.521  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.163  -0.195   0.353  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.359   1.166   0.415  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.535   1.898  -0.068  1.00  0.00           C  
HETATM   24  S   UNL     1      -4.208   1.430   0.208  1.00  0.00           S  
HETATM   25  C   UNL     1      -4.781   2.828  -0.691  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.742   3.545  -1.134  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.503   3.051  -0.797  1.00  0.00           C  
HETATM   28  H   UNL     1       3.473  -1.053   0.959  1.00  0.00           H  
HETATM   29  H   UNL     1       5.230  -0.895  -0.758  1.00  0.00           H  
HETATM   30  H   UNL     1       5.678   1.221  -2.835  1.00  0.00           H  
HETATM   31  H   UNL     1       4.621   3.329  -0.983  1.00  0.00           H  
HETATM   32  H   UNL     1       2.863   3.163   0.733  1.00  0.00           H  
HETATM   33  H   UNL     1       2.201   0.110   2.662  1.00  0.00           H  
HETATM   34  H   UNL     1       1.952   1.870   2.573  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.121   2.657   1.176  1.00  0.00           H  
HETATM   36  H   UNL     1       1.668  -4.070   0.762  1.00  0.00           H  
HETATM   37  H   UNL     1       0.650  -5.956  -0.422  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.560  -5.723  -1.481  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.762  -3.581  -1.359  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.820   3.072  -0.861  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.867   4.448  -1.712  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.581   3.534  -1.086  1.00  0.00           H  
CONECT    1    7    7    2   28                                       
CONECT    2    3    3    1   29                                       
CONECT    3    5    4    2    2                                       
CONECT    4    3   30                                                 
CONECT    5    6    6    3   31                                       
CONECT    6    5    5    7   32                                       
CONECT    7    6    8    1    1                                       
CONECT    8    7    9   33   34                                       
CONECT    9    8   11   11   10                                       
CONECT   10    9   22   35                                            
CONECT   11    9    9   12   21                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   36                                       
CONECT   15   14   16   16   37                                       
CONECT   16   15   15   17   38                                       
CONECT   17   18   18   16   39                                       
CONECT   18   13   19   17   17                                       
CONECT   19   21   18   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   11   22   22   19                                       
CONECT   22   10   21   21   23                                       
CONECT   23   22   24   27   27                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   26   40                                       
CONECT   26   27   25   25   41                                       
CONECT   27   23   23   26   42                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
