COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.314   1.180   1.710  1.00  0.00           C  
HETATM    2  C   UNL     1       5.067   2.335  -0.052  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.828  -0.162   0.178  1.00  0.00           C  
HETATM    4  C   UNL     1       3.592   0.347  -0.623  1.00  0.00           C  
HETATM    5  C   UNL     1       4.304   1.262   0.304  1.00  0.00           C  
HETATM    6  C   UNL     1       2.185  -1.562  -0.989  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.980  -2.564   2.621  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.268  -2.674   0.952  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.081   3.598  -1.598  1.00  0.00           C  
HETATM   10  C   UNL     1       6.392   4.081   1.163  1.00  0.00           C  
HETATM   11  C   UNL     1       1.013  -3.293   0.454  1.00  0.00           C  
HETATM   12  C   UNL     1       3.677   0.548  -2.005  1.00  0.00           C  
HETATM   13  C   UNL     1       3.034  -0.286  -2.869  1.00  0.00           C  
HETATM   14  C   UNL     1       2.848  -0.710  -0.116  1.00  0.00           C  
HETATM   15  C   UNL     1       2.277  -1.359  -2.378  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.865   0.008   1.042  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.604  -1.550   1.872  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.823  -3.114   2.159  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.959   1.728  -0.189  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.090   2.453  -1.482  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.090   2.709  -0.352  1.00  0.00           C  
HETATM   22  N   UNL     1       5.044   2.162   2.168  1.00  0.00           N  
HETATM   23  N   UNL     1       1.551  -2.322  -2.981  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.710  -0.843   2.061  1.00  0.00           N  
HETATM   25  N   UNL     1       1.025  -3.101  -2.103  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.845  -1.733   0.251  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.031  -1.140   0.694  1.00  0.00           N  
HETATM   28  N   UNL     1       5.530   2.900   1.082  1.00  0.00           N  
HETATM   29  N   UNL     1       1.392  -2.673  -0.819  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.918   0.920   0.890  1.00  0.00           N  
HETATM   31  O   UNL     1      -4.085   1.664  -1.028  1.00  0.00           O  
HETATM   32  H   UNL     1       3.803   0.438   2.306  1.00  0.00           H  
HETATM   33  H   UNL     1       5.263   2.673  -1.058  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.669   0.375  -0.746  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.412  -2.900   3.553  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.255   3.472  -2.299  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.459   4.615  -1.494  1.00  0.00           H  
HETATM   38  H   UNL     1       5.775   4.978   1.223  1.00  0.00           H  
HETATM   39  H   UNL     1       7.020   4.013   2.052  1.00  0.00           H  
HETATM   40  H   UNL     1       7.023   4.133   0.276  1.00  0.00           H  
HETATM   41  H   UNL     1       1.803  -3.131   1.186  1.00  0.00           H  
HETATM   42  H   UNL     1       0.866  -4.363   0.307  1.00  0.00           H  
HETATM   43  H   UNL     1       4.258   1.372  -2.390  1.00  0.00           H  
HETATM   44  H   UNL     1       3.108  -0.120  -3.933  1.00  0.00           H  
HETATM   45  H   UNL     1       2.785  -0.868   0.950  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.332  -3.892   2.726  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.132   2.718  -1.302  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.928   1.575  -2.108  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.475   3.142   0.571  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.616   0.971   1.561  1.00  0.00           H  
CONECT    1   22   22    5   32                                       
CONECT    2   28    5    5   33                                       
CONECT    3   16   16   27   34                                       
CONECT    4    5   12   12   14                                       
CONECT    5    2    2    1    4                                       
CONECT    6   14   14   15   29                                       
CONECT    7   17   18   18   35                                       
CONECT    8   26   26   18   11                                       
CONECT    9   20   21   36   37                                       
CONECT   10   28   38   39   40                                       
CONECT   11    8   29   41   42                                       
CONECT   12    4    4   13   43                                       
CONECT   13   12   15   15   44                                       
CONECT   14    4    6    6   45                                       
CONECT   15   13   13    6   23                                       
CONECT   16   30   24    3    3                                       
CONECT   17   24   24   27    7                                       
CONECT   18    7    7    8   46                                       
CONECT   19   21   31   31   30                                       
CONECT   20    9   21   47   48                                       
CONECT   21    9   20   19   49                                       
CONECT   22   28    1    1                                            
CONECT   23   15   25   25                                            
CONECT   24   16   17   17                                            
CONECT   25   23   23   29                                            
CONECT   26   27    8    8                                            
CONECT   27    3   17   26                                            
CONECT   28   10    2   22                                            
CONECT   29    6   25   11                                            
CONECT   30   19   16   50                                            
CONECT   31   19   19                                                 
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
