COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.029  -0.223   0.525  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.634  -0.301  -3.192  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.887  -0.333  -4.700  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.394  -0.369  -4.964  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.647  -0.400  -6.473  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.046   0.850  -7.117  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.539   0.886  -6.853  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.286   0.917  -5.344  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.815  -0.639   4.874  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.821   0.169   5.432  1.00  0.00           C  
HETATM   11  C   UNL     1       0.079   0.838   4.599  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.017   0.702   3.233  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.590  -0.332   7.699  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.111  -0.254  -0.792  1.00  0.00           N  
HETATM   15  C   UNL     1       0.933  -0.241  -1.605  1.00  0.00           C  
HETATM   16  O   UNL     1       0.772  -0.268  -2.945  1.00  0.00           O  
HETATM   17  C   UNL     1       2.275  -0.203  -1.003  1.00  0.00           C  
HETATM   18  N   UNL     1       3.369  -0.194  -1.748  1.00  0.00           N  
HETATM   19  N   UNL     1       3.549  -0.140   1.120  1.00  0.00           N  
HETATM   20  C   UNL     1       2.342  -0.176   0.468  1.00  0.00           C  
HETATM   21  N   UNL     1       1.201  -0.188   1.142  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.108  -0.233   1.298  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.012  -0.098   2.680  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.911  -0.766   3.507  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.720   0.312   6.897  1.00  0.00           C  
HETATM   26  O   UNL     1       3.285  -0.337  -2.955  1.00  0.00           O  
HETATM   27  O   UNL     1       0.148   1.012   7.381  1.00  0.00           O  
HETATM   28  H   UNL     1      -1.062  -1.192  -2.733  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.099   0.586  -2.764  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.422  -1.221  -5.128  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.822  -1.260  -4.505  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.859   0.519  -4.536  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.182  -1.288  -6.901  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.720  -0.426  -6.661  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.226   0.827  -8.192  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.511   1.738  -6.689  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.074  -0.002  -7.281  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.111   1.777  -7.312  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.751   1.805  -4.917  1.00  0.00           H  
HETATM   40  H   UNL     1       0.786   0.943  -5.156  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.513  -1.157   5.515  1.00  0.00           H  
HETATM   42  H   UNL     1       0.851   1.460   5.027  1.00  0.00           H  
HETATM   43  H   UNL     1       0.678   1.219   2.588  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.523  -0.238   8.662  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.285  -0.888   7.313  1.00  0.00           H  
HETATM   46  H   UNL     1       3.579  -0.198   2.088  1.00  0.00           H  
HETATM   47  H   UNL     1       4.372  -0.057   0.613  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.977  -0.333   0.879  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.682  -1.387   3.075  1.00  0.00           H  
CONECT    1   14   14   21   22                                       
CONECT    2    3   16   28   29                                       
CONECT    3    2    4    8   30                                       
CONECT    4    3    5   31   32                                       
CONECT    5    4    6   33   34                                       
CONECT    6    5    7   35   36                                       
CONECT    7    6    8   37   38                                       
CONECT    8    3    7   39   40                                       
CONECT    9   10   10   24   41                                       
CONECT   10    9    9   11   25                                       
CONECT   11   10   12   12   42                                       
CONECT   12   11   11   23   43                                       
CONECT   13   25   44   45                                            
CONECT   14    1    1   15                                            
CONECT   15   14   16   17   17                                       
CONECT   16    2   15                                                 
CONECT   17   15   15   18   20                                       
CONECT   18   17   26   26                                            
CONECT   19   20   46   47                                            
CONECT   20   17   19   21   21                                       
CONECT   21    1   20   20                                            
CONECT   22    1   23   48                                            
CONECT   23   12   22   24   24                                       
CONECT   24    9   23   23   49                                       
CONECT   25   10   13   27   27                                       
CONECT   26   18   18                                                 
CONECT   27   25   25                                                 
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
