COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.837   1.855   0.193  1.00  0.00           C  
HETATM    2  C   UNL     1       3.529   2.224  -0.042  1.00  0.00           C  
HETATM    3  C   UNL     1       2.512   1.271   0.037  1.00  0.00           C  
HETATM    4  C   UNL     1       2.828  -0.052   0.353  1.00  0.00           C  
HETATM    5  C   UNL     1       4.140  -0.408   0.585  1.00  0.00           C  
HETATM    6  C   UNL     1       5.143   0.541   0.500  1.00  0.00           C  
HETATM    7  C   UNL     1       1.109   1.660  -0.213  1.00  0.00           C  
HETATM    8  C   UNL     1       0.694   2.755  -0.914  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.705   2.753  -0.914  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.117   1.656  -0.214  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.003   0.980   0.213  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.519   1.263   0.036  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.538   2.215  -0.040  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.845   1.841   0.194  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.147   0.526   0.503  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.142  -0.422   0.580  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.832  -0.062   0.343  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.001  -0.256   1.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.004  -1.443   0.071  1.00  0.00           C  
HETATM   20  N   UNL     1       0.006  -2.693   0.574  1.00  0.00           N  
HETATM   21  O   UNL     1       0.005  -1.273  -1.130  1.00  0.00           O  
HETATM   22  C   UNL     1       0.010  -3.781  -0.277  1.00  0.00           C  
HETATM   23  N   UNL     1       0.012  -3.598  -1.566  1.00  0.00           N  
HETATM   24  N   UNL     1       0.013  -5.056   0.236  1.00  0.00           N  
HETATM   25  H   UNL     1       5.624   2.591   0.133  1.00  0.00           H  
HETATM   26  H   UNL     1       3.292   3.250  -0.285  1.00  0.00           H  
HETATM   27  H   UNL     1       2.046  -0.795   0.415  1.00  0.00           H  
HETATM   28  H   UNL     1       4.385  -1.431   0.830  1.00  0.00           H  
HETATM   29  H   UNL     1       6.169   0.256   0.683  1.00  0.00           H  
HETATM   30  H   UNL     1       1.331   3.491  -1.382  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.344   3.487  -1.383  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.303   3.241  -0.280  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.634   2.576   0.137  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.172   0.240   0.690  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.385  -1.446   0.822  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.048  -0.803   0.403  1.00  0.00           H  
HETATM   37  H   UNL     1       0.888  -0.285   1.630  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.892  -0.289   1.627  1.00  0.00           H  
HETATM   39  H   UNL     1       0.004  -2.829   1.535  1.00  0.00           H  
HETATM   40  H   UNL     1       0.015  -4.362  -2.164  1.00  0.00           H  
HETATM   41  H   UNL     1       0.011  -5.192   1.197  1.00  0.00           H  
HETATM   42  H   UNL     1       0.016  -5.819  -0.362  1.00  0.00           H  
CONECT    1    6    6    2   25                                       
CONECT    2    3    3    1   26                                       
CONECT    3    4    7    2    2                                       
CONECT    4    5    5    3   27                                       
CONECT    5    4    4    6   28                                       
CONECT    6    5    1    1   29                                       
CONECT    7   11    3    8    8                                       
CONECT    8    7    7    9   30                                       
CONECT    9   10   10    8   31                                       
CONECT   10   12   11    9    9                                       
CONECT   11   18   10    7                                            
CONECT   12   17   17   13   10                                       
CONECT   13   14   14   12   32                                       
CONECT   14   15   13   13   33                                       
CONECT   15   16   16   14   34                                       
CONECT   16   15   15   17   35                                       
CONECT   17   16   12   12   36                                       
CONECT   18   19   11   37   38                                       
CONECT   19   20   18   21   21                                       
CONECT   20   22   19   39                                            
CONECT   21   19   19                                                 
CONECT   22   24   20   23   23                                       
CONECT   23   22   22   40                                            
CONECT   24   22   41   42                                            
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
