COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.061  -2.108  -0.004  1.00  0.00           C  
HETATM    2  C   UNL     1       4.580  -2.495  -0.002  1.00  0.00           C  
HETATM    3  N   UNL     1       3.759  -1.281  -0.001  1.00  0.00           N  
HETATM    4  C   UNL     1       2.385  -1.380   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.711  -2.503   0.006  1.00  0.00           N  
HETATM    6  C   UNL     1       0.378  -2.239   0.006  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.758  -3.054   0.011  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.002  -2.493   0.009  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.154  -1.102   0.002  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.031  -0.276  -0.003  1.00  0.00           C  
HETATM   11  C   UNL     1       0.232  -0.840  -0.001  1.00  0.00           C  
HETATM   12  N   UNL     1       1.519  -0.318   0.001  1.00  0.00           N  
HETATM   13  C   UNL     1       1.863   1.028   0.001  1.00  0.00           C  
HETATM   14  N   UNL     1       0.913   1.958   0.008  1.00  0.00           N  
HETATM   15  C   UNL     1       1.240   3.239   0.009  1.00  0.00           C  
HETATM   16  N   UNL     1       2.510   3.600   0.002  1.00  0.00           N  
HETATM   17  C   UNL     1       3.467   2.674  -0.005  1.00  0.00           C  
HETATM   18  N   UNL     1       3.141   1.386   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       4.794   3.052  -0.013  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.465  -0.526  -0.001  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.540  -0.053  -0.004  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.887   0.539  -0.007  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.774   2.065  -0.015  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.644   0.078  -1.254  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.595   0.120   1.162  1.00  0.00           O  
HETATM   26  H   UNL     1       6.283  -1.519   0.886  1.00  0.00           H  
HETATM   27  H   UNL     1       6.672  -3.011  -0.004  1.00  0.00           H  
HETATM   28  H   UNL     1       6.282  -1.519  -0.894  1.00  0.00           H  
HETATM   29  H   UNL     1       4.358  -3.083  -0.892  1.00  0.00           H  
HETATM   30  H   UNL     1       4.359  -3.084   0.888  1.00  0.00           H  
HETATM   31  H   UNL     1       4.183  -0.409  -0.001  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.651  -4.128   0.016  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.876  -3.128   0.012  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.146   0.798  -0.009  1.00  0.00           H  
HETATM   35  H   UNL     1       0.465   3.992   0.014  1.00  0.00           H  
HETATM   36  H   UNL     1       5.031   3.992  -0.013  1.00  0.00           H  
HETATM   37  H   UNL     1       5.490   2.376  -0.018  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.234   2.384  -0.906  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.772   2.503  -0.017  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.234   2.393   0.873  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.725  -1.010  -1.248  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.642   0.516  -1.256  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.105   0.397  -2.146  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.492   0.473   1.226  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    3   29   30                                       
CONECT    3    2    4   31                                            
CONECT    4    5    5    3   12                                       
CONECT    5    6    4    4                                            
CONECT    6    7    7    5   11                                       
CONECT    7    6    6    8   32                                       
CONECT    8    7    9    9   33                                       
CONECT    9    8    8   10   20                                       
CONECT   10   11   11    9   34                                       
CONECT   11    6   12   10   10                                       
CONECT   12    4   11   13                                            
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15                                            
CONECT   15   14   16   16   35                                       
CONECT   16   15   15   17                                            
CONECT   17   18   18   16   19                                       
CONECT   18   13   17   17                                            
CONECT   19   17   36   37                                            
CONECT   20    9   21   21   21                                       
CONECT   21   20   20   20   22                                       
CONECT   22   25   21   23   24                                       
CONECT   23   22   38   39   40                                       
CONECT   24   22   41   42   43                                       
CONECT   25   22   44                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   15                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
