COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.522  -2.154   0.201  1.00  0.00           O  
HETATM    2  C   UNL     1       0.250  -1.213   0.220  1.00  0.00           C  
HETATM    3  N   UNL     1       1.587  -1.306   0.359  1.00  0.00           N  
HETATM    4  C   UNL     1       2.354  -2.544   0.513  1.00  0.00           C  
HETATM    5  C   UNL     1       2.758  -3.057  -0.846  1.00  0.00           C  
HETATM    6  C   UNL     1       4.019  -3.292  -1.109  1.00  0.00           C  
HETATM    7  C   UNL     1       2.112  -0.011   0.330  1.00  0.00           C  
HETATM    8  C   UNL     1       1.039   0.858   0.169  1.00  0.00           C  
HETATM    9  N   UNL     1       1.260   2.176   0.107  1.00  0.00           N  
HETATM   10  C   UNL     1       2.477   2.665   0.204  1.00  0.00           C  
HETATM   11  N   UNL     1       2.658   4.023   0.135  1.00  0.00           N  
HETATM   12  N   UNL     1       3.562   1.859   0.372  1.00  0.00           N  
HETATM   13  C   UNL     1       3.407   0.518   0.426  1.00  0.00           C  
HETATM   14  O   UNL     1       4.372  -0.216   0.569  1.00  0.00           O  
HETATM   15  N   UNL     1      -0.100   0.082   0.098  1.00  0.00           N  
HETATM   16  C1* UNL     1      -1.465   0.584  -0.072  1.00  0.00           C  
HETATM   17  C2* UNL     1      -2.074   0.052  -1.388  1.00  0.00           C  
HETATM   18  O2* UNL     1      -1.968   1.034  -2.421  1.00  0.00           O  
HETATM   19  C3* UNL     1      -3.556  -0.210  -1.037  1.00  0.00           C  
HETATM   20  O3* UNL     1      -4.412   0.602  -1.842  1.00  0.00           O  
HETATM   21  O4* UNL     1      -2.324   0.067   0.968  1.00  0.00           O  
HETATM   22  C4* UNL     1      -3.667   0.194   0.450  1.00  0.00           C  
HETATM   23  C5* UNL     1      -4.614  -0.752   1.189  1.00  0.00           C  
HETATM   24  O5* UNL     1      -4.794  -0.294   2.531  1.00  0.00           O  
HETATM   25  H   UNL     1       3.247  -2.347   1.106  1.00  0.00           H  
HETATM   26  H   UNL     1       1.741  -3.291   1.016  1.00  0.00           H  
HETATM   27  H   UNL     1       2.007  -3.230  -1.602  1.00  0.00           H  
HETATM   28  H   UNL     1       4.770  -3.118  -0.353  1.00  0.00           H  
HETATM   29  H   UNL     1       4.309  -3.659  -2.083  1.00  0.00           H  
HETATM   30  H   UNL     1       1.895   4.609   0.016  1.00  0.00           H  
HETATM   31  H   UNL     1       3.550   4.398   0.206  1.00  0.00           H  
HETATM   32  H1* UNL     1      -1.471   1.674  -0.062  1.00  0.00           H  
HETATM   33  H2* UNL     1      -1.583  -0.873  -1.690  1.00  0.00           H  
HETATM   34  H2* UNL     1      -2.335   0.752  -3.270  1.00  0.00           H  
HETATM   35  H3* UNL     1      -3.797  -1.266  -1.165  1.00  0.00           H  
HETATM   36  H3* UNL     1      -5.355   0.477  -1.663  1.00  0.00           H  
HETATM   37  H4* UNL     1      -4.012   1.224   0.538  1.00  0.00           H  
HETATM   38 H5*1 UNL     1      -5.578  -0.773   0.680  1.00  0.00           H  
HETATM   39 H5*2 UNL     1      -4.189  -1.756   1.202  1.00  0.00           H  
HETATM   40  H5* UNL     1      -5.385  -0.847   3.060  1.00  0.00           H  
HETATM   41  H   UNL     1       4.448   2.248   0.440  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   15    1    1    3                                       
CONECT    3    2    7    4                                            
CONECT    4    3    5   25   26                                       
CONECT    5    6    6    4   27                                       
CONECT    6    5    5   28   29                                       
CONECT    7    8    8   13    3                                       
CONECT    8    9   15    7    7                                       
CONECT    9   10   10    8                                            
CONECT   10   11    9    9   12                                       
CONECT   11   10   30   31                                            
CONECT   12   10   13   41                                            
CONECT   13   12    7   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   16    8    2                                            
CONECT   16   17   21   15   32                                       
CONECT   17   19   18   16   33                                       
CONECT   18   17   34                                                 
CONECT   19   20   17   22   35                                       
CONECT   20   19   36                                                 
CONECT   21   22   16                                                 
CONECT   22   19   23   21   37                                       
CONECT   23   24   22   38   39                                       
CONECT   24   23   40                                                 
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   12                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
