COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.623   1.689   2.610  1.00  0.00           C  
HETATM    2  N   UNL     1       1.234  -1.475   1.057  1.00  0.00           N  
HETATM    3  O   UNL     1       3.534   0.272   0.877  1.00  0.00           O  
HETATM    4  C   UNL     1       2.316   0.671   1.510  1.00  0.00           C  
HETATM    5  N   UNL     1       1.322  -3.105  -0.391  1.00  0.00           N  
HETATM    6  C   UNL     1       1.635  -0.554   2.123  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.066  -0.739   0.478  1.00  0.00           N  
HETATM    8  C   UNL     1       1.985  -2.487   0.542  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.552   2.754   1.773  1.00  0.00           N  
HETATM   10  C   UNL     1       3.381  -2.839   0.987  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.546   1.481   0.070  1.00  0.00           N  
HETATM   12  C   UNL     1       0.098  -2.538  -0.530  1.00  0.00           C  
HETATM   13  N   UNL     1      -6.668   0.299  -1.619  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.998  -2.793  -1.362  1.00  0.00           C  
HETATM   15  N   UNL     1       3.210   2.025  -0.603  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.110  -2.004  -1.234  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.115  -0.966  -0.299  1.00  0.00           C  
HETATM   18  C   UNL     1       0.025  -1.480   0.395  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.318  -0.108  -0.170  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.358   0.934   0.760  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.502   1.714   0.851  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.546   0.503  -0.823  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.440  -0.321  -0.974  1.00  0.00           C  
HETATM   24  C   UNL     1       3.938   1.000  -0.194  1.00  0.00           C  
HETATM   25  C   UNL     1       5.114   0.661  -0.851  1.00  0.00           C  
HETATM   26  C   UNL     1       5.516   1.412  -1.942  1.00  0.00           C  
HETATM   27  C   UNL     1       4.723   2.480  -2.340  1.00  0.00           C  
HETATM   28  C   UNL     1       3.566   2.759  -1.640  1.00  0.00           C  
HETATM   29  H   UNL     1       1.694   1.993   3.093  1.00  0.00           H  
HETATM   30  H   UNL     1       3.285   1.237   3.349  1.00  0.00           H  
HETATM   31  H   UNL     1       3.108   2.562   2.173  1.00  0.00           H  
HETATM   32  H   UNL     1       1.654   1.123   0.771  1.00  0.00           H  
HETATM   33  H   UNL     1       0.754  -0.238   2.681  1.00  0.00           H  
HETATM   34  H   UNL     1       2.330  -1.057   2.796  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.348   3.303   1.842  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.790   2.929   2.348  1.00  0.00           H  
HETATM   37  H   UNL     1       3.332  -3.567   1.796  1.00  0.00           H  
HETATM   38  H   UNL     1       3.934  -3.263   0.149  1.00  0.00           H  
HETATM   39  H   UNL     1       3.888  -1.940   1.338  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.444   0.872  -1.518  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.674  -0.416  -2.274  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.968  -3.593  -2.087  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.973  -2.175  -1.860  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.509   1.129   1.400  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.446  -1.117  -1.705  1.00  0.00           H  
HETATM   46  H   UNL     1       5.707  -0.176  -0.514  1.00  0.00           H  
HETATM   47  H   UNL     1       6.426   1.172  -2.473  1.00  0.00           H  
HETATM   48  H   UNL     1       5.008   3.085  -3.187  1.00  0.00           H  
HETATM   49  H   UNL     1       2.946   3.589  -1.945  1.00  0.00           H  
CONECT    1    4   29   30   31                                       
CONECT    2    6   18    8                                            
CONECT    3   24    4                                                 
CONECT    4    3    1    6   32                                       
CONECT    5   12    8    8                                            
CONECT    6    4    2   33   34                                       
CONECT    7   17   17   18                                            
CONECT    8    2    5    5   10                                       
CONECT    9   21   35   36                                            
CONECT   10    8   37   38   39                                       
CONECT   11   21   21   22                                            
CONECT   12   18   18   14    5                                       
CONECT   13   22   40   41                                            
CONECT   14   16   16   12   42                                       
CONECT   15   28   28   24                                            
CONECT   16   17   14   14   43                                       
CONECT   17   19    7    7   16                                       
CONECT   18    7    2   12   12                                       
CONECT   19   20   20   23   17                                       
CONECT   20   21   19   19   44                                       
CONECT   21    9   11   11   20                                       
CONECT   22   11   13   23   23                                       
CONECT   23   22   22   19   45                                       
CONECT   24   15    3   25   25                                       
CONECT   25   24   24   26   46                                       
CONECT   26   27   27   25   47                                       
CONECT   27   28   26   26   48                                       
CONECT   28   15   15   27   49                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   20                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
