COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.628  -2.970  -2.179  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.875  -2.537  -1.044  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.557  -1.916  -1.512  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.786  -1.473  -0.349  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.514  -1.830  -0.057  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.200  -0.671   0.570  1.00  0.00           N  
HETATM    7  N   UNL     1      -3.277  -0.487   1.447  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.198  -1.196   1.096  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.888  -1.270   1.836  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.037  -0.140   1.439  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.616   1.136   1.880  1.00  0.00           C  
HETATM   12  C   UNL     1       0.052   2.271   1.147  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.388   2.876   0.019  1.00  0.00           C  
HETATM   14  N   UNL     1       1.192   2.882   1.486  1.00  0.00           N  
HETATM   15  N   UNL     1       1.445   3.800   0.622  1.00  0.00           N  
HETATM   16  N   UNL     1       0.520   3.836  -0.273  1.00  0.00           N  
HETATM   17  C   UNL     1       0.463   4.753  -1.414  1.00  0.00           C  
HETATM   18  C   UNL     1       0.543   6.196  -0.912  1.00  0.00           C  
HETATM   19  O   UNL     1       0.488   7.091  -2.025  1.00  0.00           O  
HETATM   20  C   UNL     1       1.329  -0.304   1.954  1.00  0.00           C  
HETATM   21  C   UNL     1       2.057  -1.334   1.129  1.00  0.00           C  
HETATM   22  C   UNL     1       2.870  -1.099   0.072  1.00  0.00           C  
HETATM   23  N   UNL     1       2.030  -2.661   1.300  1.00  0.00           N  
HETATM   24  N   UNL     1       2.773  -3.211   0.406  1.00  0.00           N  
HETATM   25  N   UNL     1       3.296  -2.311  -0.352  1.00  0.00           N  
HETATM   26  C   UNL     1       4.200  -2.557  -1.478  1.00  0.00           C  
HETATM   27  C   UNL     1       5.394  -3.386  -1.002  1.00  0.00           C  
HETATM   28  O   UNL     1       6.277  -3.626  -2.100  1.00  0.00           O  
HETATM   29  H   UNL     1      -7.477  -3.374  -1.957  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.449  -1.795  -0.489  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.666  -3.391  -0.400  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.983  -2.658  -2.067  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.766  -1.062  -2.157  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.878  -2.490  -0.630  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.074  -1.225   2.909  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.386  -2.206   1.593  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.684   1.143   1.666  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.460   1.254   2.952  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.283   2.639  -0.537  1.00  0.00           H  
HETATM   40  H   UNL     1       1.301   4.554  -2.082  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.474   4.606  -1.951  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.295   6.395  -0.244  1.00  0.00           H  
HETATM   43  H   UNL     1       1.480   6.343  -0.374  1.00  0.00           H  
HETATM   44  H   UNL     1       0.533   8.025  -1.781  1.00  0.00           H  
HETATM   45  H   UNL     1       1.857   0.648   1.893  1.00  0.00           H  
HETATM   46  H   UNL     1       1.290  -0.632   2.992  1.00  0.00           H  
HETATM   47  H   UNL     1       3.126  -0.138  -0.348  1.00  0.00           H  
HETATM   48  H   UNL     1       3.668  -3.101  -2.259  1.00  0.00           H  
HETATM   49  H   UNL     1       4.554  -1.605  -1.875  1.00  0.00           H  
HETATM   50  H   UNL     1       5.926  -2.842  -0.221  1.00  0.00           H  
HETATM   51  H   UNL     1       5.041  -4.338  -0.605  1.00  0.00           H  
HETATM   52  H   UNL     1       7.058  -4.147  -1.870  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2    3    1   30   31                                       
CONECT    3    4    2   32   33                                       
CONECT    4    3    5    6                                            
CONECT    5    4    8    8   34                                       
CONECT    6    4    7    7                                            
CONECT    7    8    6    6                                            
CONECT    8    5    5    9    7                                       
CONECT    9    8   10   35   36                                       
CONECT   10    9   11   20                                            
CONECT   11   12   10   37   38                                       
CONECT   12   13   13   14   11                                       
CONECT   13   16   12   12   39                                       
CONECT   14   15   15   12                                            
CONECT   15   16   14   14                                            
CONECT   16   17   13   15                                            
CONECT   17   18   16   40   41                                       
CONECT   18   17   19   42   43                                       
CONECT   19   18   44                                                 
CONECT   20   10   21   45   46                                       
CONECT   21   20   23   22   22                                       
CONECT   22   21   21   25   47                                       
CONECT   23   21   24   24                                            
CONECT   24   23   23   25                                            
CONECT   25   22   24   26                                            
CONECT   26   25   27   48   49                                       
CONECT   27   26   28   50   51                                       
CONECT   28   27   52                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
