COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.082  -2.028   0.309  1.00  0.00           N  
HETATM    2  C   UNL     1       6.429  -2.211   0.179  1.00  0.00           C  
HETATM    3  C   UNL     1       4.848  -0.663   0.287  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.555  -0.515   1.680  1.00  0.00           C  
HETATM    5  C   UNL     1       6.105  -0.054   0.140  1.00  0.00           C  
HETATM    6  C   UNL     1       1.492   1.842  -0.106  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.666   1.000   0.129  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.922   1.926  -0.576  1.00  0.00           C  
HETATM    9  C   UNL     1       6.195   1.339   0.085  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.865  -1.049  -1.050  1.00  0.00           C  
HETATM   11  C   UNL     1       5.054   2.104   0.174  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.276   1.545  -2.517  1.00  0.00           C  
HETATM   13  S   UNL     1      -4.278  -1.796  -0.590  1.00  0.00           S  
HETATM   14  N   UNL     1      -3.475  -0.595   0.219  1.00  0.00           N  
HETATM   15  N   UNL     1       7.029  -1.051   0.086  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.720   0.342  -0.491  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.648   0.446   2.071  1.00  0.00           C  
HETATM   18  C   UNL     1       3.706   0.117   0.376  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.468  -2.810   0.387  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.484  -2.032  -1.745  1.00  0.00           O  
HETATM   21  N   UNL     1       2.655   2.288   0.409  1.00  0.00           N  
HETATM   22  C   UNL     1       3.809   1.498   0.319  1.00  0.00           C  
HETATM   23  O   UNL     1       1.464   0.803  -0.731  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.296   1.009   1.214  1.00  0.00           O  
HETATM   25  N   UNL     1       7.064  -3.436   0.151  1.00  0.00           N  
HETATM   26  C   UNL     1       0.226   2.636   0.093  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.905   0.680   3.373  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.024   0.618  -1.818  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.231   2.203  -1.895  1.00  0.00           C  
HETATM   30  H   UNL     1       4.412  -2.725   0.396  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.777  -1.502   2.086  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.603  -0.164   2.078  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.424   0.784   1.159  1.00  0.00           H  
HETATM   34  H   UNL     1       7.158   1.815  -0.027  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.404  -1.722  -1.717  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.459  -0.876  -0.152  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.687  -0.101  -1.556  1.00  0.00           H  
HETATM   38  H   UNL     1       5.125   3.181   0.131  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.515   1.764  -3.547  1.00  0.00           H  
HETATM   40  H   UNL     1       2.739  -0.350   0.489  1.00  0.00           H  
HETATM   41  H   UNL     1       2.693   3.155   0.841  1.00  0.00           H  
HETATM   42  H   UNL     1       6.546  -4.252   0.226  1.00  0.00           H  
HETATM   43  H   UNL     1       8.028  -3.480   0.056  1.00  0.00           H  
HETATM   44  H   UNL     1       0.022   2.732   1.160  1.00  0.00           H  
HETATM   45  H   UNL     1       0.346   3.627  -0.345  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.387   0.230   4.058  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.609   1.299   3.625  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.844   0.108  -2.302  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.648   2.928  -2.444  1.00  0.00           H  
CONECT    1    3    2   30                                            
CONECT    2   15   15    1   25                                       
CONECT    3   18   18    5    1                                       
CONECT    4   17   14   31   32                                       
CONECT    5    9    9    3   15                                       
CONECT    6   26   21   23   23                                       
CONECT    7   16    8    8   33                                       
CONECT    8    7    7   29   26                                       
CONECT    9   11    5    5   34                                       
CONECT   10   13   35   36   37                                       
CONECT   11   22   22    9   38                                       
CONECT   12   28   29   29   39                                       
CONECT   13   19   19   14   20                                       
CONECT   13   20   10                                                 
CONECT   14    4   16   13                                            
CONECT   15    5    2    2                                            
CONECT   16   14   28   28    7                                       
CONECT   17   27   24   24    4                                       
CONECT   18   22    3    3   40                                       
CONECT   19   13   13                                                 
CONECT   20   13   13                                                 
CONECT   21    6   22   41                                            
CONECT   22   21   11   11   18                                       
CONECT   23    6    6                                                 
CONECT   24   17   17                                                 
CONECT   25    2   42   43                                            
CONECT   26    8    6   44   45                                       
CONECT   27   17   46   47                                            
CONECT   28   16   16   12   48                                       
CONECT   29   12   12    8   49                                       
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
