COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.215  -0.586  -0.532  1.00  0.00           N  
HETATM    2  C   UNL     1       2.361  -0.696   0.119  1.00  0.00           C  
HETATM    3  N   UNL     1       2.458  -0.556   1.420  1.00  0.00           N  
HETATM    4  C   UNL     1       1.369  -0.290   2.159  1.00  0.00           C  
HETATM    5  C   UNL     1       0.118  -0.163   1.506  1.00  0.00           C  
HETATM    6  C   UNL     1       0.079  -0.325   0.101  1.00  0.00           C  
HETATM    7  C   UNL     1       1.439  -0.135   3.549  1.00  0.00           C  
HETATM    8  C   UNL     1       0.292   0.136   4.260  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.943   0.254   3.608  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.033   0.112   2.252  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.109  -0.214  -0.592  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.111  -0.262  -1.989  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.038   0.252  -2.702  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.041   0.198  -4.090  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.123  -0.360  -4.759  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.192  -0.866  -4.046  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.190  -0.819  -2.665  1.00  0.00           C  
HETATM   18  S   UNL     1       1.321   0.844  -5.000  1.00  0.00           S  
HETATM   19  C   UNL     1       0.757   0.509  -6.692  1.00  0.00           C  
HETATM   20  O   UNL     1       0.357   0.286   5.609  1.00  0.00           O  
HETATM   21  C   UNL     1       1.725   0.106   5.979  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.062   0.522   4.332  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.147   0.594   3.404  1.00  0.00           C  
HETATM   24  H   UNL     1       3.257  -0.909  -0.444  1.00  0.00           H  
HETATM   25  H   UNL     1       2.386  -0.228   4.059  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.989   0.209   1.759  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.943  -0.104  -0.109  1.00  0.00           H  
HETATM   28  H   UNL     1       0.801   0.686  -2.179  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.128  -0.398  -5.839  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.032  -1.301  -4.568  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.027  -1.216  -2.110  1.00  0.00           H  
HETATM   32  H   UNL     1       1.508   0.858  -7.401  1.00  0.00           H  
HETATM   33  H   UNL     1       0.608  -0.563  -6.819  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.182   1.030  -6.871  1.00  0.00           H  
HETATM   35  H   UNL     1       1.827   0.218   7.058  1.00  0.00           H  
HETATM   36  H   UNL     1       2.054  -0.889   5.684  1.00  0.00           H  
HETATM   37  H   UNL     1       2.338   0.854   5.476  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.071   0.809   3.941  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.954   1.387   2.681  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.242  -0.357   2.882  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   24                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   10                                       
CONECT    6    1    5    5   11                                       
CONECT    7    4    8    8   25                                       
CONECT    8    7    7    9   20                                       
CONECT    9    8   10   10   22                                       
CONECT   10    5    9    9   26                                       
CONECT   11    6   12   27                                            
CONECT   12   11   13   13   17                                       
CONECT   13   12   12   14   28                                       
CONECT   14   13   15   15   18                                       
CONECT   15   14   14   16   29                                       
CONECT   16   15   17   17   30                                       
CONECT   17   12   16   16   31                                       
CONECT   18   14   19                                                 
CONECT   19   18   32   33   34                                       
CONECT   20    8   21                                                 
CONECT   21   20   35   36   37                                       
CONECT   22    9   23                                                 
CONECT   23   22   38   39   40                                       
CONECT   24    2                                                      
CONECT   25    7                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
CONECT   28   13                                                      
CONECT   29   15                                                      
CONECT   30   16                                                      
CONECT   31   17                                                      
CONECT   32   19                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   21                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
