COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.369   1.683  -0.531  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.823   1.295  -0.686  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.827  -0.202  -0.474  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.547  -0.563  -0.238  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.021  -1.819   0.015  1.00  0.00           C  
HETATM    6  N   UNL     1       1.254  -2.003   0.224  1.00  0.00           N  
HETATM    7  C   UNL     1       2.139  -0.961   0.204  1.00  0.00           C  
HETATM    8  C   UNL     1       3.497  -1.176   0.431  1.00  0.00           C  
HETATM    9  C   UNL     1       4.373  -0.108   0.407  1.00  0.00           C  
HETATM   10  C   UNL     1       3.912   1.172   0.159  1.00  0.00           C  
HETATM   11  C   UNL     1       2.565   1.398  -0.067  1.00  0.00           C  
HETATM   12  C   UNL     1       1.678   0.338  -0.046  1.00  0.00           C  
HETATM   13  N   UNL     1       0.306   0.545  -0.272  1.00  0.00           N  
HETATM   14  O   UNL     1       0.098   2.799  -0.626  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.680   1.992   0.373  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.157   1.683   0.119  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.013   2.379   1.178  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.792  -0.936  -0.510  1.00  0.00           O  
HETATM   19  N   UNL     1      -0.865  -2.901   0.047  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.133  -3.657  -1.179  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.497  -3.300   1.306  1.00  0.00           C  
HETATM   22  C   UNL     1       4.880   2.327   0.137  1.00  0.00           C  
HETATM   23  H   UNL     1      -2.180   1.541  -1.686  1.00  0.00           H  
HETATM   24  H   UNL     1       3.863  -2.173   0.625  1.00  0.00           H  
HETATM   25  H   UNL     1       5.426  -0.275   0.583  1.00  0.00           H  
HETATM   26  H   UNL     1       2.209   2.399  -0.260  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.398   1.632   1.363  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.520   3.069   0.320  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.438   2.043  -0.871  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.317   0.606   0.172  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.732   2.019   2.168  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.853   3.456   1.124  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.065   2.159   0.997  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.944  -3.181  -1.730  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.235  -3.676  -1.798  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.418  -4.677  -0.922  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.108  -2.479   1.682  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.127  -4.173   1.136  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.727  -3.545   2.038  1.00  0.00           H  
HETATM   40  H   UNL     1       5.259   2.463  -0.876  1.00  0.00           H  
HETATM   41  H   UNL     1       4.370   3.235   0.459  1.00  0.00           H  
HETATM   42  H   UNL     1       5.711   2.118   0.811  1.00  0.00           H  
CONECT    1    2   13   14   14                                       
CONECT    2    3   15    1   23                                       
CONECT    3   18   18    2    4                                       
CONECT    4    3    5   13                                            
CONECT    5   19    4    6    6                                       
CONECT    6    5    5    7                                            
CONECT    7    6   12   12    8                                       
CONECT    8    7    9    9   24                                       
CONECT    9    8    8   10   25                                       
CONECT   10   11   11    9   22                                       
CONECT   11   12   10   10   26                                       
CONECT   12   13    7    7   11                                       
CONECT   13    4    1   12                                            
CONECT   14    1    1                                                 
CONECT   15    2   16   27   28                                       
CONECT   16   15   17   29   30                                       
CONECT   17   16   31   32   33                                       
CONECT   18    3    3                                                 
CONECT   19   20   21    5                                            
CONECT   20   19   34   35   36                                       
CONECT   21   19   37   38   39                                       
CONECT   22   10   40   41   42                                       
CONECT   23    2                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26   11                                                      
CONECT   27   15                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
CONECT   30   16                                                      
CONECT   31   17                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   20                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
