COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O5* UNL     1       4.956   1.984   1.394  1.00  0.00           O  
HETATM    2  C5* UNL     1       4.745   1.285   0.166  1.00  0.00           C  
HETATM    3  C4* UNL     1       3.709   0.180   0.379  1.00  0.00           C  
HETATM    4  O4* UNL     1       2.416   0.753   0.673  1.00  0.00           O  
HETATM    5  C1* UNL     1       1.461  -0.286   0.369  1.00  0.00           C  
HETATM    6  N   UNL     1       0.132   0.291   0.151  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.141   1.581  -0.197  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.427   1.750  -0.305  1.00  0.00           N1+
HETATM    9  C   UNL     1      -2.089   3.006  -0.663  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.059   0.583  -0.029  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.404   0.174   0.004  1.00  0.00           C  
HETATM   12  S   UNL     1      -4.701   1.312  -0.355  1.00  0.00           S1-
HETATM   13  N   UNL     1      -3.677  -1.089   0.318  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.707  -1.953   0.590  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.044  -3.257   0.911  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.429  -1.610   0.565  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.067  -0.368   0.262  1.00  0.00           C  
HETATM   18  C2* UNL     1       1.983  -0.937  -0.931  1.00  0.00           C  
HETATM   19  O2* UNL     1       1.767  -2.350  -0.913  1.00  0.00           O  
HETATM   20  C3* UNL     1       3.497  -0.621  -0.925  1.00  0.00           C  
HETATM   21  O3* UNL     1       4.262  -1.828  -0.900  1.00  0.00           O  
HETATM   22  H5* UNL     1       5.615   2.669   1.216  1.00  0.00           H  
HETATM   23 H5*1 UNL     1       5.684   0.843  -0.167  1.00  0.00           H  
HETATM   24 H5*2 UNL     1       4.383   1.982  -0.591  1.00  0.00           H  
HETATM   25  H4* UNL     1       4.022  -0.483   1.185  1.00  0.00           H  
HETATM   26  H1* UNL     1       1.428  -1.020   1.174  1.00  0.00           H  
HETATM   27  H   UNL     1       0.600   2.350  -0.359  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.203   3.061  -1.746  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.070   3.048  -0.192  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.485   3.846  -0.319  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.348  -3.902   1.113  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.976  -3.526   0.934  1.00  0.00           H  
HETATM   33  H2* UNL     1       1.503  -0.490  -1.801  1.00  0.00           H  
HETATM   34  H2* UNL     1       2.167  -2.704  -1.718  1.00  0.00           H  
HETATM   35  H3* UNL     1       3.766  -0.018  -1.792  1.00  0.00           H  
HETATM   36  H3* UNL     1       5.191  -1.569  -0.835  1.00  0.00           H  
CONECT    1    2   22                                                 
CONECT    2    1    3   23   24                                       
CONECT    3    2    4   20   25                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   18   26                                       
CONECT    6    5    7   17                                            
CONECT    7    6    8    8   27                                       
CONECT    8    7    7    9   10                                       
CONECT    9    8   28   29   30                                       
CONECT   10    8   11   17   17                                       
CONECT   11   10   12   13   13                                       
CONECT   12   11                                                      
CONECT   13   11   11   14                                            
CONECT   14   13   15   16   16                                       
CONECT   15   14   31   32                                            
CONECT   16   14   14   17                                            
CONECT   17    6   10   10   16                                       
CONECT   18    5   19   20   33                                       
CONECT   19   18   34                                                 
CONECT   20    3   18   21   35                                       
CONECT   21   20   36                                                 
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   18                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   21                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
