COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C4* UNL     1       5.419   0.913   0.191  1.00  0.00           C  
HETATM    2  C1* UNL     1       3.385  -0.141   0.344  1.00  0.00           C  
HETATM    3  C   UNL     1       1.304   1.207  -0.124  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.678  -0.425   0.192  1.00  0.00           N  
HETATM    5  C   UNL     1       0.971  -0.895   0.453  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.151  -2.838   0.951  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.437  -1.003   0.398  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.895  -1.221   0.373  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.719   0.489  -1.456  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.614  -0.295  -1.193  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.102  -0.364   0.089  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.314   1.214  -0.432  1.00  0.00           C  
HETATM   13  C5* UNL     1       6.101   2.252  -0.095  1.00  0.00           C  
HETATM   14  C2* UNL     1       3.975  -0.650  -0.995  1.00  0.00           C  
HETATM   15  N   UNL     1       1.937   0.052   0.228  1.00  0.00           N  
HETATM   16  C3* UNL     1       5.343   0.062  -1.095  1.00  0.00           C  
HETATM   17  O3* UNL     1       6.404  -0.895  -1.127  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.795   1.147   0.855  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.695   0.352   1.113  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.259  -0.255   0.229  1.00  0.00           C  
HETATM   21  N   UNL     1       0.015   1.025  -0.123  1.00  0.00           N  
HETATM   22  N   UNL     1       0.977  -2.175   0.813  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.331  -2.281   0.743  1.00  0.00           N  
HETATM   24  N   UNL     1      -8.432   2.009  -0.694  1.00  0.00           N  
HETATM   25  O4* UNL     1       4.044   1.122   0.580  1.00  0.00           O  
HETATM   26  O5* UNL     1       6.234   2.989   1.122  1.00  0.00           O  
HETATM   27  O2* UNL     1       4.148  -2.068  -0.959  1.00  0.00           O  
HETATM   28  H4* UNL     1       5.956   0.373   0.972  1.00  0.00           H  
HETATM   29  H1* UNL     1       3.610  -0.842   1.148  1.00  0.00           H  
HETATM   30  H   UNL     1       1.798   2.136  -0.364  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.742   0.506  -0.072  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.111  -3.876   1.245  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.881  -2.067  -0.314  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.941  -1.586   1.398  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.118   0.542  -2.459  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.148  -0.856  -1.990  1.00  0.00           H  
HETATM   37 H5*1 UNL     1       7.089   2.073  -0.521  1.00  0.00           H  
HETATM   38 H5*2 UNL     1       5.499   2.822  -0.802  1.00  0.00           H  
HETATM   39  H2* UNL     1       3.333  -0.363  -1.828  1.00  0.00           H  
HETATM   40  H3* UNL     1       5.377   0.700  -1.978  1.00  0.00           H  
HETATM   41  H3* UNL     1       7.285  -0.503  -1.189  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.255   1.709   1.654  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.291   0.299   2.113  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.795   2.055  -1.593  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.847   2.514   0.022  1.00  0.00           H  
HETATM   46  H5* UNL     1       6.659   3.851   1.015  1.00  0.00           H  
HETATM   47  H2* UNL     1       4.514  -2.440  -1.773  1.00  0.00           H  
CONECT    1   16   25   13   28                                       
CONECT    2   15   14   25   29                                       
CONECT    3   21   21   15   30                                       
CONECT    4    8    7   31                                            
CONECT    5   20   20   15   22                                       
CONECT    6   23   22   22   32                                       
CONECT    7    4   20   23   23                                       
CONECT    8   11    4   33   34                                       
CONECT    9   12   12   10   35                                       
CONECT   10    9   11   11   36                                       
CONECT   11   10   10   19    8                                       
CONECT   12   24    9    9   18                                       
CONECT   13   26    1   37   38                                       
CONECT   14   27    2   16   39                                       
CONECT   15    3    5    2                                            
CONECT   16   14    1   17   40                                       
CONECT   17   16   41                                                 
CONECT   18   12   19   19   42                                       
CONECT   19   18   18   11   43                                       
CONECT   20   21    7    5    5                                       
CONECT   21    3    3   20                                            
CONECT   22    5    6    6                                            
CONECT   23    7    7    6                                            
CONECT   24   12   44   45                                            
CONECT   25    2    1                                                 
CONECT   26   13   46                                                 
CONECT   27   14   47                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
