COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.548   2.772  -0.209  1.00  0.00           O  
HETATM    2  C   UNL     1       2.869   1.419   0.123  1.00  0.00           C  
HETATM    3  C   UNL     1       4.211   1.037  -0.515  1.00  0.00           C  
HETATM    4  O   UNL     1       5.207   1.995  -0.151  1.00  0.00           O  
HETATM    5  C   UNL     1       4.615  -0.347   0.001  1.00  0.00           C  
HETATM    6  O   UNL     1       4.987  -0.249   1.377  1.00  0.00           O  
HETATM    7  C   UNL     1       1.789   0.485  -0.424  1.00  0.00           C  
HETATM    8  C   UNL     1       2.238  -0.943  -0.319  1.00  0.00           C  
HETATM    9  C   UNL     1       3.468  -1.305  -0.138  1.00  0.00           C  
HETATM   10  C   UNL     1       3.767  -2.780  -0.063  1.00  0.00           C  
HETATM   11  O   UNL     1       2.554  -3.520  -0.216  1.00  0.00           O  
HETATM   12  N   UNL     1       0.552   0.664   0.349  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.624   0.284  -0.444  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.890   0.484   0.392  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.115   0.087  -0.433  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.380   0.288   0.403  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.606  -0.109  -0.423  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.871   0.091   0.414  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.097  -0.305  -0.412  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.362  -0.105   0.424  1.00  0.00           C  
HETATM   21  H   UNL     1       3.201   3.417   0.095  1.00  0.00           H  
HETATM   22  H   UNL     1       2.935   1.314   1.206  1.00  0.00           H  
HETATM   23  H   UNL     1       4.105   1.007  -1.599  1.00  0.00           H  
HETATM   24  H   UNL     1       6.081   1.813  -0.521  1.00  0.00           H  
HETATM   25  H   UNL     1       5.462  -0.714  -0.578  1.00  0.00           H  
HETATM   26  H   UNL     1       5.255  -1.090   1.772  1.00  0.00           H  
HETATM   27  H   UNL     1       1.597   0.727  -1.469  1.00  0.00           H  
HETATM   28  H   UNL     1       1.489  -1.717  -0.398  1.00  0.00           H  
HETATM   29  H   UNL     1       4.461  -3.051  -0.859  1.00  0.00           H  
HETATM   30  H   UNL     1       4.214  -3.011   0.904  1.00  0.00           H  
HETATM   31  H   UNL     1       2.671  -4.479  -0.178  1.00  0.00           H  
HETATM   32  H   UNL     1       0.588   0.146   1.214  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.677   0.906  -1.337  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.543  -0.764  -0.735  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.837  -0.138   1.286  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.971   1.531   0.683  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.168   0.710  -1.327  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.034  -0.960  -0.725  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.327  -0.335   1.296  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.462   1.335   0.694  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.659   0.514  -1.316  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.524  -1.156  -0.714  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.818  -0.531   1.307  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.952   1.139   0.705  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.149   0.317  -1.306  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.015  -1.352  -0.703  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.443   0.943   0.715  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.235  -0.387  -0.164  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.309  -0.727   1.318  1.00  0.00           H  
CONECT    1    2   21                                                 
CONECT    2    1    7    3   22                                       
CONECT    3    2    4    5   23                                       
CONECT    4    3   24                                                 
CONECT    5    3    9    6   25                                       
CONECT    6    5   26                                                 
CONECT    7   12    2    8   27                                       
CONECT    8    7    9    9   28                                       
CONECT    9    8    8    5   10                                       
CONECT   10    9   11   29   30                                       
CONECT   11   10   31                                                 
CONECT   12    7   13   32                                            
CONECT   13   12   14   33   34                                       
CONECT   14   13   15   35   36                                       
CONECT   15   14   16   37   38                                       
CONECT   16   15   17   39   40                                       
CONECT   17   16   18   41   42                                       
CONECT   18   17   19   43   44                                       
CONECT   19   18   20   45   46                                       
CONECT   20   19   47   48   49                                       
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
