COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.637   0.523  -0.097  1.00  0.00           C  
HETATM    2  C   UNL     1       4.310   1.740  -0.221  1.00  0.00           C  
HETATM    3  C   UNL     1       3.588   2.917  -0.263  1.00  0.00           C  
HETATM    4  N   UNL     1       6.120  -2.126   0.014  1.00  0.00           N  
HETATM    5  C   UNL     1       2.200   2.848  -0.180  1.00  0.00           C  
HETATM    6  C   UNL     1       1.588   1.589  -0.058  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.196  -0.908  -0.235  1.00  0.00           N  
HETATM    8  C   UNL     1       0.141   1.864   0.004  1.00  0.00           C  
HETATM    9  C   UNL     1       0.013   3.207  -0.083  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.953   0.868   0.134  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.122  -0.289  -0.650  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.751  -0.176   0.822  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.962  -0.527   1.568  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.109  -0.708   0.608  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.903   0.372   0.269  1.00  0.00           C  
HETATM   16  N   UNL     1       2.315   0.481  -0.026  1.00  0.00           N  
HETATM   17  C   UNL     1       4.831  -4.328   0.044  1.00  0.00           C  
HETATM   18  N   UNL     1       4.932  -2.867   0.010  1.00  0.00           N  
HETATM   19  C   UNL     1       5.817  -0.855  -0.023  1.00  0.00           C  
HETATM   20  C   UNL     1       4.413  -0.741  -0.052  1.00  0.00           C  
HETATM   21  C   UNL     1       3.897  -2.004  -0.031  1.00  0.00           C  
HETATM   22  O   UNL     1       1.225   3.778  -0.191  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.976   0.909   1.035  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.364  -1.952   0.061  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.416  -2.117  -0.820  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.213  -1.039  -1.155  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.955   0.206  -0.612  1.00  0.00           C  
HETATM   28  H   UNL     1       5.388   1.762  -0.282  1.00  0.00           H  
HETATM   29  H   UNL     1       4.089   3.869  -0.357  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.925   3.742  -0.069  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.476  -0.609  -1.454  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.795  -1.456   2.114  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.199   0.270   2.272  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.701   1.344   0.693  1.00  0.00           H  
HETATM   35  H   UNL     1       4.787  -4.665   1.079  1.00  0.00           H  
HETATM   36  H   UNL     1       3.928  -4.642  -0.479  1.00  0.00           H  
HETATM   37  H   UNL     1       5.703  -4.764  -0.444  1.00  0.00           H  
HETATM   38  H   UNL     1       6.521  -0.036  -0.029  1.00  0.00           H  
HETATM   39  H   UNL     1       2.849  -2.266  -0.045  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.137   1.671   1.783  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.740  -2.794   0.322  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.615  -3.089  -1.247  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.035  -1.168  -1.843  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.576   1.049  -0.877  1.00  0.00           H  
CONECT    1    2    2   16   20                                       
CONECT    2    3    1    1   28                                       
CONECT    3    5    5    2   29                                       
CONECT    4   19   19   18                                            
CONECT    5   22    3    3    6                                       
CONECT    6    5    8   16   16                                       
CONECT    7   11   11   12                                            
CONECT    8    9    9    6   10                                       
CONECT    9   22    8    8   30                                       
CONECT   10    8   11   23   23                                       
CONECT   11   10    7    7   31                                       
CONECT   12    7   23   13                                            
CONECT   13   12   14   32   33                                       
CONECT   14   13   15   15   24                                       
CONECT   15   14   14   27   34                                       
CONECT   16    6    6    1                                            
CONECT   17   18   35   36   37                                       
CONECT   18   21    4   17                                            
CONECT   19   20    4    4   38                                       
CONECT   20    1   19   21   21                                       
CONECT   21   20   20   18   39                                       
CONECT   22    9    5                                                 
CONECT   23   10   10   12   40                                       
CONECT   24   14   25   25   41                                       
CONECT   25   24   24   26   42                                       
CONECT   26   27   27   25   43                                       
CONECT   27   15   26   26   44                                       
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
