COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.661  -0.078   1.499  1.00  0.00           N  
HETATM    2  O   UNL     1      -0.957   1.731  -0.006  1.00  0.00           O  
HETATM    3  O   UNL     1       5.649   1.187  -0.620  1.00  0.00           O  
HETATM    4  O   UNL     1       5.453  -1.305  -0.632  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.414   0.350   1.279  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.438   0.364  -1.219  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.937  -1.751   0.013  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.602   1.520   0.019  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.101  -0.595   1.251  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.125  -0.581  -1.248  1.00  0.00           C  
HETATM   11  N   UNL     1       1.463   1.099  -0.034  1.00  0.00           N  
HETATM   12  N   UNL     1       2.720   1.210  -0.046  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.391  -0.414  -0.024  1.00  0.00           N  
HETATM   14  S   UNL     1       2.251  -1.231  -0.055  1.00  0.00           S  
HETATM   15  C   UNL     1      -1.311   0.570  -0.010  1.00  0.00           C  
HETATM   16  C   UNL     1       0.964  -0.100  -0.036  1.00  0.00           C  
HETATM   17  C   UNL     1       3.400   0.108  -0.059  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.092   1.174   0.031  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.591  -0.941   1.263  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.616  -0.926  -1.235  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.779   0.230   0.003  1.00  0.00           C  
HETATM   22  S   UNL     1       5.156  -0.031  -0.077  1.00  0.00           S  
HETATM   23  H   UNL     1       5.875   0.746   1.965  1.00  0.00           H  
HETATM   24  H   UNL     1       5.739  -0.929   1.958  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.167   0.927   2.170  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.475   0.103   1.288  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.500   0.118  -1.210  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.209   0.952  -2.108  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.351  -2.670   0.002  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.999  -1.997   0.022  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.372   2.108  -0.870  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.355   2.098   0.910  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.854  -0.018   2.142  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.515  -1.514   1.240  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.539  -1.500  -1.259  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.896   0.007  -2.136  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.674  -1.342  -0.027  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.678   2.093   0.042  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.820  -1.528   2.152  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.863  -1.504  -2.126  1.00  0.00           H  
CONECT    1   22   23   24                                            
CONECT    2   15   15                                                 
CONECT    3   22   22                                                 
CONECT    4   22   22                                                 
CONECT    5   18   19   25   26                                       
CONECT    6   18   20   27   28                                       
CONECT    7   20   19   29   30                                       
CONECT    8   18   21   31   32                                       
CONECT    9   19   21   33   34                                       
CONECT   10   20   21   35   36                                       
CONECT   11   16   16   12                                            
CONECT   12   11   17   17                                            
CONECT   13   15   16   37                                            
CONECT   14   16   17                                                 
CONECT   15    2    2   13   21                                       
CONECT   16   11   11   13   14                                       
CONECT   17   12   12   14   22                                       
CONECT   18    5    6    8   38                                       
CONECT   19    5    7    9   39                                       
CONECT   20    6    7   10   40                                       
CONECT   21    8    9   10   15                                       
CONECT   22    1    3    3    4                                       
CONECT   22    4   17                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
