COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C3* UNL     1       4.417   0.503   0.984  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.806  -0.163  -0.109  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.001  -1.030   0.191  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.938  -1.502   1.645  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.459   0.134  -0.259  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.572   2.163  -0.907  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.079   0.484  -0.427  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.156  -0.373  -0.134  1.00  0.00           C  
HETATM    9  C   UNL     1       0.671  -1.500   0.173  1.00  0.00           C  
HETATM   10  C1* UNL     1       2.437   0.208  -0.403  1.00  0.00           C  
HETATM   11  C2* UNL     1       2.934   0.921   0.874  1.00  0.00           C  
HETATM   12  C4* UNL     1       4.641  -0.413  -0.239  1.00  0.00           C  
HETATM   13  C5* UNL     1       5.578  -1.567   0.124  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.283  -0.224  -0.029  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.561  -0.665   0.017  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.614   1.396  -0.643  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.333   1.731  -0.808  1.00  0.00           N  
HETATM   18  N   UNL     1      -0.628  -1.567   0.225  1.00  0.00           N  
HETATM   19  N   UNL     1       1.058  -0.255  -0.224  1.00  0.00           N  
HETATM   20  O4* UNL     1       3.328  -0.916  -0.568  1.00  0.00           O  
HETATM   21  O5* UNL     1       5.864  -2.334  -1.047  1.00  0.00           O  
HETATM   22  O3* UNL     1       5.267   1.650   0.916  1.00  0.00           O  
HETATM   23  O2* UNL     1       2.822   2.339   0.732  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.963   0.986  -0.463  1.00  0.00           O  
HETATM   25  H3* UNL     1       4.592  -0.046   1.910  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.998  -1.895  -0.472  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.803  -2.129   1.861  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.025  -2.076   1.801  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.941  -0.637   2.308  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.744   3.184  -1.216  1.00  0.00           H  
HETATM   31  H   UNL     1       1.343  -2.312   0.410  1.00  0.00           H  
HETATM   32  H1* UNL     1       2.503   0.877  -1.261  1.00  0.00           H  
HETATM   33  H2* UNL     1       2.375   0.579   1.745  1.00  0.00           H  
HETATM   34  H4* UNL     1       5.049   0.159  -1.072  1.00  0.00           H  
HETATM   35 H5*1 UNL     1       6.506  -1.166   0.531  1.00  0.00           H  
HETATM   36 H5*2 UNL     1       5.100  -2.204   0.868  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.328   0.112  -1.065  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.148  -0.851   0.188  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.286   0.641   0.634  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.435  -1.584   0.300  1.00  0.00           H  
HETATM   41  H5* UNL     1       6.454  -3.084  -0.892  1.00  0.00           H  
HETATM   42  H3* UNL     1       6.210   1.445   0.981  1.00  0.00           H  
HETATM   43  H2* UNL     1       3.176   2.838   1.481  1.00  0.00           H  
CONECT    1   12   22   11   25                                       
CONECT    2   24   24   15    3                                       
CONECT    3    4    2   14   26                                       
CONECT    4    3   27   28   29                                       
CONECT    5   16   15    8    8                                       
CONECT    6   16   16   17   30                                       
CONECT    7   17   17    8   19                                       
CONECT    8    5    5    7   18                                       
CONECT    9   19   18   18   31                                       
CONECT   10   20   19   11   32                                       
CONECT   11   10    1   23   33                                       
CONECT   12   20   13    1   34                                       
CONECT   13   12   21   35   36                                       
CONECT   14    3   37   38   39                                       
CONECT   15    5    2   40                                            
CONECT   16    6    6    5                                            
CONECT   17    6    7    7                                            
CONECT   18    8    9    9                                            
CONECT   19    7   10    9                                            
CONECT   20   12   10                                                 
CONECT   21   13   41                                                 
CONECT   22    1   42                                                 
CONECT   23   11   43                                                 
CONECT   24    2    2                                                 
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
