COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.615  -1.146  -1.213  1.00  0.00           O  
HETATM    2  C   UNL     1       4.751  -0.344  -0.308  1.00  0.00           C  
HETATM    3  N   UNL     1       5.966  -0.147   0.241  1.00  0.00           N  
HETATM    4  O   UNL     1       7.084  -0.872  -0.236  1.00  0.00           O  
HETATM    5  C   UNL     1       3.595   0.410   0.182  1.00  0.00           C  
HETATM    6  C   UNL     1       2.381   0.217  -0.370  1.00  0.00           C  
HETATM    7  C   UNL     1       1.219   0.975   0.122  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.042   0.778  -0.449  1.00  0.00           C  
HETATM    9  C   UNL     1       1.370   1.894   1.166  1.00  0.00           C  
HETATM   10  C   UNL     1       0.277   2.600   1.621  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.967   2.402   1.048  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.126   1.492   0.018  1.00  0.00           C  
HETATM   13  S   UNL     1      -2.716   1.244  -0.699  1.00  0.00           S  
HETATM   14  O   UNL     1      -3.416   2.473  -0.556  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.497   0.616  -1.955  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.512   0.140   0.244  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.020  -1.163   0.360  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.175  -2.061  -0.689  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.683  -3.346  -0.573  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.037  -3.739   0.585  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.882  -2.847   1.631  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.371  -1.561   1.521  1.00  0.00           C  
HETATM   23  H   UNL     1       6.074   0.493   0.962  1.00  0.00           H  
HETATM   24  H   UNL     1       7.912  -0.663   0.218  1.00  0.00           H  
HETATM   25  H   UNL     1       3.716   1.122   0.985  1.00  0.00           H  
HETATM   26  H   UNL     1       2.260  -0.495  -1.174  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.167   0.068  -1.253  1.00  0.00           H  
HETATM   28  H   UNL     1       2.340   2.049   1.614  1.00  0.00           H  
HETATM   29  H   UNL     1       0.392   3.309   2.428  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.819   2.959   1.409  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.320   0.397   0.715  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.680  -1.755  -1.593  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.802  -4.045  -1.388  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.654  -4.745   0.673  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.377  -3.158   2.534  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.245  -0.863   2.336  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    4    2   23                                            
CONECT    4    3   24                                                 
CONECT    5    2    6    6   25                                       
CONECT    6    5    5    7   26                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7   12   27                                       
CONECT    9    7   10   10   28                                       
CONECT   10    9    9   11   29                                       
CONECT   11   12   12   10   30                                       
CONECT   12    8   13   11   11                                       
CONECT   13   15   15   12   16                                       
CONECT   13   14   14                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   17   13   31                                            
CONECT   17   18   18   22   16                                       
CONECT   18   19   17   17   32                                       
CONECT   19   20   20   18   33                                       
CONECT   20   19   19   21   34                                       
CONECT   21   20   22   22   35                                       
CONECT   22   21   21   17   36                                       
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   16                                                      
CONECT   32   18                                                      
CONECT   33   19                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
