COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.163   3.156   0.623  1.00  0.00           O1-
HETATM    2  N   UNL     1      -6.133   2.352   0.457  1.00  0.00           N1+
HETATM    3  O   UNL     1      -4.910   2.802   0.642  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.351   0.940   0.068  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.630   0.466  -0.120  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.848  -0.857  -0.485  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.799  -1.710  -0.664  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.488  -1.252  -0.479  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.219  -1.868  -0.584  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.264   0.091  -0.114  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.905   0.266  -0.008  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.278  -0.932  -0.289  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.826  -1.157  -0.280  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.378  -2.255  -0.553  1.00  0.00           O  
HETATM   15  N   UNL     1      -0.989  -0.147   0.031  1.00  0.00           N  
HETATM   16  C   UNL     1       0.366  -0.383   0.147  1.00  0.00           C  
HETATM   17  C   UNL     1       1.281   0.608  -0.232  1.00  0.00           C  
HETATM   18  C   UNL     1       2.617   0.382  -0.122  1.00  0.00           C  
HETATM   19  C   UNL     1       0.819  -1.611   0.648  1.00  0.00           C  
HETATM   20  C   UNL     1       2.152  -1.851   0.764  1.00  0.00           C  
HETATM   21  C   UNL     1       3.082  -0.857   0.378  1.00  0.00           C  
HETATM   22  C   UNL     1       4.462  -1.098   0.495  1.00  0.00           C  
HETATM   23  C   UNL     1       4.953  -2.419   1.028  1.00  0.00           C  
HETATM   24  N   UNL     1       5.334  -0.159   0.137  1.00  0.00           N  
HETATM   25  N   UNL     1       6.600  -0.380   0.244  1.00  0.00           N  
HETATM   26  C   UNL     1       7.482   0.569  -0.119  1.00  0.00           C  
HETATM   27  N   UNL     1       8.847   0.460  -0.054  1.00  0.00           N  
HETATM   28  C   UNL     1       9.363   1.623  -0.507  1.00  0.00           C  
HETATM   29  C   UNL     1       8.287   2.437  -0.848  1.00  0.00           C  
HETATM   30  N   UNL     1       7.175   1.769  -0.606  1.00  0.00           N  
HETATM   31  H   UNL     1      -8.472   1.128   0.018  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.858  -1.213  -0.628  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.978  -2.737  -0.948  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.031  -2.898  -0.851  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.459   1.094   0.233  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.340   0.746   0.174  1.00  0.00           H  
HETATM   37  H   UNL     1       0.925   1.553  -0.614  1.00  0.00           H  
HETATM   38  H   UNL     1       0.108  -2.369   0.942  1.00  0.00           H  
HETATM   39  H   UNL     1       3.321   1.147  -0.414  1.00  0.00           H  
HETATM   40  H   UNL     1       2.500  -2.798   1.150  1.00  0.00           H  
HETATM   41  H   UNL     1       5.087  -3.117   0.201  1.00  0.00           H  
HETATM   42  H   UNL     1       5.905  -2.274   1.538  1.00  0.00           H  
HETATM   43  H   UNL     1       4.223  -2.823   1.729  1.00  0.00           H  
HETATM   44  H   UNL     1       6.917  -1.231   0.587  1.00  0.00           H  
HETATM   45  H   UNL     1       9.349  -0.309   0.260  1.00  0.00           H  
HETATM   46  H   UNL     1      10.411   1.873  -0.590  1.00  0.00           H  
HETATM   47  H   UNL     1       8.351   3.440  -1.245  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   10   10                                       
CONECT    5    4    6    6   31                                       
CONECT    6    5    5    7   32                                       
CONECT    7    6    8    8   33                                       
CONECT    8    7    7    9   10                                       
CONECT    9    8   12   12   34                                       
CONECT   10    4    4    8   11                                       
CONECT   11   10   12   35                                            
CONECT   12    9    9   11   13                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   36                                            
CONECT   16   15   17   19   19                                       
CONECT   17   16   18   18   37                                       
CONECT   18   17   17   21   39                                       
CONECT   19   16   16   20   38                                       
CONECT   20   19   21   21   40                                       
CONECT   21   18   20   20   22                                       
CONECT   22   21   23   24   24                                       
CONECT   23   22   41   42   43                                       
CONECT   24   22   22   25                                            
CONECT   25   24   26   44                                            
CONECT   26   25   27   30   30                                       
CONECT   27   26   28   45                                            
CONECT   28   27   29   29   46                                       
CONECT   29   28   28   30   47                                       
CONECT   30   26   26   29                                            
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
