COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C5* UNL     1       4.541   1.645  -0.077  1.00  0.00           C  
HETATM    2  N   UNL     1       0.271  -0.109   0.254  1.00  0.00           N  
HETATM    3  O4* UNL     1       2.474   0.677   0.755  1.00  0.00           O  
HETATM    4  C4* UNL     1       3.833   0.375   0.397  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.435   3.424  -0.673  1.00  0.00           N  
HETATM    6  O2* UNL     1       2.039  -2.325  -1.168  1.00  0.00           O  
HETATM    7  C1* UNL     1       1.680  -0.479   0.408  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.868   1.592  -0.352  1.00  0.00           N  
HETATM    9  O3* UNL     1       4.469  -1.855  -0.367  1.00  0.00           O  
HETATM   10  C2* UNL     1       2.277  -0.934  -0.947  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.192   0.256  -0.078  1.00  0.00           N  
HETATM   12  O5* UNL     1       4.667   2.556   1.017  1.00  0.00           O  
HETATM   13  C3* UNL     1       3.787  -0.658  -0.746  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.026  -2.260   0.648  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.178   1.166  -0.051  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.356  -1.957   0.454  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.522   1.171  -0.128  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.653   2.080  -0.391  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.209  -0.666   0.178  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.904  -0.210   0.153  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.776  -0.974   0.384  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.273  -2.695   0.675  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.597  -0.160  -0.065  1.00  0.00           C  
HETATM   24 H5*1 UNL     1       5.531   1.390  -0.454  1.00  0.00           H  
HETATM   25 H5*2 UNL     1       3.958   2.111  -0.872  1.00  0.00           H  
HETATM   26  H4* UNL     1       4.358  -0.044   1.256  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.531   3.774  -0.699  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.188   4.012  -0.844  1.00  0.00           H  
HETATM   29  H2* UNL     1       2.393  -2.658  -2.004  1.00  0.00           H  
HETATM   30  H1* UNL     1       1.790  -1.260   1.161  1.00  0.00           H  
HETATM   31  H3* UNL     1       5.407  -1.728  -0.171  1.00  0.00           H  
HETATM   32  H2* UNL     1       1.878  -0.338  -1.768  1.00  0.00           H  
HETATM   33  H5* UNL     1       5.108   3.386   0.788  1.00  0.00           H  
HETATM   34  H3* UNL     1       4.225  -0.242  -1.653  1.00  0.00           H  
HETATM   35  H   UNL     1       0.456   2.027  -0.204  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.426  -3.742   0.893  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.232   0.697  -0.288  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.753  -0.934  -0.817  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.850  -0.554   0.919  1.00  0.00           H  
CONECT    1   12    4   24   25                                       
CONECT    2    7   15   21                                            
CONECT    3    4    7                                                 
CONECT    4    1    3   13   26                                       
CONECT    5   18   27   28                                            
CONECT    6   10   29                                                 
CONECT    7    2    3   10   30                                       
CONECT    8   18   18   11                                            
CONECT    9   13   31                                                 
CONECT   10    6    7   13   32                                       
CONECT   11    8   19   23                                            
CONECT   12    1   33                                                 
CONECT   13    4    9   10   34                                       
CONECT   14   21   21   22                                            
CONECT   15    2   17   17   35                                       
CONECT   16   19   22   22                                            
CONECT   17   15   15   18   20                                       
CONECT   18    5    8    8   17                                       
CONECT   19   11   16   20   20                                       
CONECT   20   17   19   19   21                                       
CONECT   21    2   14   14   20                                       
CONECT   22   14   16   16   36                                       
CONECT   23   11   37   38   39                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   22                                                      
CONECT   37   23                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
