COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1       5.784  -1.083   0.335  1.00  0.00           C  
HETATM    2  N   UNK     1       4.805  -0.572  -1.830  1.00  0.00           N  
HETATM    3  O   UNK     1       6.105  -2.149  -0.134  1.00  0.00           O  
HETATM    4  C   UNK     1       1.250   0.611  -0.052  1.00  0.00           C  
HETATM    5  O   UNK     1       0.891  -0.155   0.810  1.00  0.00           O  
HETATM    6  C   UNK     1       0.262   1.566  -0.670  1.00  0.00           C  
HETATM    7  C   UNK     1       0.701   3.021  -0.403  1.00  0.00           C  
HETATM    8  C   UNK     1      -0.644   3.747  -0.137  1.00  0.00           C  
HETATM    9  C   UNK     1      -1.447   2.650   0.606  1.00  0.00           C  
HETATM   10  N   UNK     1      -1.060   1.389  -0.050  1.00  0.00           N  
HETATM   11  C   UNK     1      -1.795   0.260  -0.079  1.00  0.00           C  
HETATM   12  O   UNK     1      -1.376  -0.723  -0.652  1.00  0.00           O  
HETATM   13  C   UNK     1       4.828  -0.189  -0.412  1.00  0.00           C  
HETATM   14  C   UNK     1       3.425  -0.336   0.179  1.00  0.00           C  
HETATM   15  O   UNK     1       2.529   0.611  -0.460  1.00  0.00           O  
HETATM   16  C   UNK     1      -3.139   0.219   0.602  1.00  0.00           C  
HETATM   17  C   UNK     1      -2.953   0.007   2.119  1.00  0.00           C  
HETATM   18  C   UNK     1      -4.122  -0.946   2.483  1.00  0.00           C  
HETATM   19  C   UNK     1      -4.206  -1.833   1.216  1.00  0.00           C  
HETATM   20  N   UNK     1      -3.922  -0.918   0.095  1.00  0.00           N  
HETATM   21  C   UNK     1      -4.315  -1.094  -1.182  1.00  0.00           C  
HETATM   22  O   UNK     1      -4.023  -0.271  -2.026  1.00  0.00           O  
HETATM   23  O   UNK     1      -5.031  -2.182  -1.522  1.00  0.00           O  
HETATM   24  O   UNK     1       6.275  -0.698   1.523  1.00  0.00           O  
HETATM   25  H   UNK     1       4.506  -1.529  -1.941  1.00  0.00           H  
HETATM   26  H   UNK     1       4.221   0.054  -2.364  1.00  0.00           H  
HETATM   27  H   UNK     1       0.197   1.389  -1.744  1.00  0.00           H  
HETATM   28  H   UNK     1       1.348   3.074   0.472  1.00  0.00           H  
HETATM   29  H   UNK     1       1.199   3.440  -1.278  1.00  0.00           H  
HETATM   30  H   UNK     1      -0.497   4.621   0.498  1.00  0.00           H  
HETATM   31  H   UNK     1      -1.132   4.023  -1.072  1.00  0.00           H  
HETATM   32  H   UNK     1      -1.173   2.629   1.661  1.00  0.00           H  
HETATM   33  H   UNK     1      -2.518   2.823   0.495  1.00  0.00           H  
HETATM   34  H   UNK     1       5.154   0.848  -0.320  1.00  0.00           H  
HETATM   35  H   UNK     1       3.063  -1.350   0.009  1.00  0.00           H  
HETATM   36  H   UNK     1       3.459  -0.137   1.251  1.00  0.00           H  
HETATM   37  H   UNK     1      -3.675   1.151   0.421  1.00  0.00           H  
HETATM   38  H   UNK     1      -1.992  -0.464   2.328  1.00  0.00           H  
HETATM   39  H   UNK     1      -3.045   0.952   2.655  1.00  0.00           H  
HETATM   40  H   UNK     1      -3.880  -1.543   3.362  1.00  0.00           H  
HETATM   41  H   UNK     1      -5.047  -0.390   2.633  1.00  0.00           H  
HETATM   42  H   UNK     1      -3.459  -2.626   1.257  1.00  0.00           H  
HETATM   43  H   UNK     1      -5.206  -2.257   1.115  1.00  0.00           H  
HETATM   44  H   UNK     1      -5.290  -2.265  -2.450  1.00  0.00           H  
HETATM   45  H   UNK     1       6.881  -1.307   1.967  1.00  0.00           H  
CONECT    1    3    3   13   24                                       
CONECT    2   13   25   26                                            
CONECT    3    1    1                                                 
CONECT    4    5    5    6   15                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   10   27                                       
CONECT    7    6    8   28   29                                       
CONECT    8    7    9   30   31                                       
CONECT    9    8   10   32   33                                       
CONECT   10    6    9   11                                            
CONECT   11   10   12   12   16                                       
CONECT   12   11   11                                                 
CONECT   13    1    2   14   34                                       
CONECT   14   13   15   35   36                                       
CONECT   15    4   14                                                 
CONECT   16   11   17   20   37                                       
CONECT   17   16   18   38   39                                       
CONECT   18   17   19   40   41                                       
CONECT   19   18   20   42   43                                       
CONECT   20   16   19   21                                            
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   44                                                 
CONECT   24    1   45                                                 
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
