COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.784  -1.016  -0.672  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.467  -1.774   0.443  1.00  0.00           C  
HETATM    3  C   UNL     1       0.763  -1.598   1.089  1.00  0.00           C  
HETATM    4  C   UNL     1       0.110  -0.082  -1.165  1.00  0.00           C  
HETATM    5  C   UNL     1       1.337   0.107  -0.538  1.00  0.00           C  
HETATM    6  C   UNL     1       1.668  -0.656   0.602  1.00  0.00           C  
HETATM    7  C   UNL     1       2.971  -0.454   1.264  1.00  0.00           C  
HETATM    8  C   UNL     1       4.025   0.314   0.565  1.00  0.00           C  
HETATM    9  C   UNL     1       5.340   0.285   1.017  1.00  0.00           C  
HETATM   10  C   UNL     1       6.313   1.009   0.350  1.00  0.00           C  
HETATM   11  C   UNL     1       5.986   1.762  -0.763  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.514  -0.796  -0.403  1.00  0.00           N  
HETATM   13  O   UNL     1      -2.380  -0.312  -2.542  1.00  0.00           O  
HETATM   14  O   UNL     1       1.072  -2.340   2.181  1.00  0.00           O  
HETATM   15  C   UNL     1       3.693   1.080  -0.568  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.158   2.704   1.785  1.00  0.00           O  
HETATM   17  C   UNL     1       4.682   1.802  -1.226  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.335  -1.250  -1.475  1.00  0.00           S  
HETATM   19  O   UNL     1      -4.124   3.020   0.980  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.049   2.266   1.168  1.00  0.00           C  
HETATM   21  O   UNL     1       1.943   1.934  -1.865  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.602   0.597   0.042  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.959   0.833   0.710  1.00  0.00           C  
HETATM   24  C   UNL     1       2.299   1.100  -1.056  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.352  -2.689   0.912  1.00  0.00           O  
HETATM   26  O   UNL     1       3.176  -0.913   2.371  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.483  -2.650  -1.664  1.00  0.00           O  
HETATM   28  H   UNL     1      -0.146   0.501  -2.038  1.00  0.00           H  
HETATM   29  H   UNL     1       5.601  -0.301   1.885  1.00  0.00           H  
HETATM   30  H   UNL     1       7.334   0.986   0.701  1.00  0.00           H  
HETATM   31  H   UNL     1       6.754   2.324  -1.274  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.146  -1.453  -0.071  1.00  0.00           H  
HETATM   33  H   UNL     1       1.523  -3.171   1.978  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.170   3.631   2.061  1.00  0.00           H  
HETATM   35  H   UNL     1       4.434   2.392  -2.096  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.805   0.801   0.757  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.499   1.260  -0.816  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.062   0.170   1.568  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.756   0.629  -0.005  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.199  -3.587   0.587  1.00  0.00           H  
CONECT    1   18    2    4    4                                       
CONECT    2    1   25    3    3                                       
CONECT    3    2    2   14    6                                       
CONECT    4    1    1    5   28                                       
CONECT    5    4    6    6   24                                       
CONECT    6    5    5    3    7                                       
CONECT    7    6    8   26   26                                       
CONECT    8    7    9    9   15                                       
CONECT    9    8    8   10   29                                       
CONECT   10    9   11   11   30                                       
CONECT   11   10   10   17   31                                       
CONECT   12   18   22   32                                            
CONECT   13   18   18                                                 
CONECT   14    3   33                                                 
CONECT   15   17   17    8   24                                       
CONECT   16   20   34                                                 
CONECT   17   11   15   15   35                                       
CONECT   18   13   13    1   12                                       
CONECT   18   27   27                                                 
CONECT   19   20   20                                                 
CONECT   20   23   16   19   19                                       
CONECT   21   24   24                                                 
CONECT   22   12   23   36   37                                       
CONECT   23   22   20   38   39                                       
CONECT   24   15    5   21   21                                       
CONECT   25    2   40                                                 
CONECT   26    7    7                                                 
CONECT   27   18   18                                                 
CONECT   28    4                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   25                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
