COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.645  -1.957  -0.754  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.014  -0.819  -0.229  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.437  -0.447  -0.207  1.00  0.00           C  
HETATM    4  S   UNL     1      -7.090   1.046   0.454  1.00  0.00           S  
HETATM    5  C   UNL     1      -8.682   0.585   0.047  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.696  -0.613  -0.544  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.460  -1.201  -0.701  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.069   0.034   0.306  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.739  -0.382   0.422  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.708   0.517   0.188  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.448  -1.693   0.778  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.135  -2.107   0.894  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.104  -1.220   0.657  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.386   0.099   0.305  1.00  0.00           C  
HETATM   15  C   UNL     1       0.722   1.054   0.050  1.00  0.00           C  
HETATM   16  C   UNL     1       0.440   2.372  -0.302  1.00  0.00           C  
HETATM   17  C   UNL     1       1.471   3.260  -0.539  1.00  0.00           C  
HETATM   18  C   UNL     1       2.784   2.845  -0.428  1.00  0.00           C  
HETATM   19  C   UNL     1       2.045   0.636   0.168  1.00  0.00           C  
HETATM   20  C   UNL     1       3.075   1.531  -0.078  1.00  0.00           C  
HETATM   21  N   UNL     1       4.405   1.114   0.032  1.00  0.00           N  
HETATM   22  C   UNL     1       4.789  -0.112  -0.475  1.00  0.00           C  
HETATM   23  N   UNL     1       3.939  -0.830  -1.161  1.00  0.00           N  
HETATM   24  C   UNL     1       6.154  -0.609  -0.244  1.00  0.00           C  
HETATM   25  S   UNL     1       7.408   0.235   0.654  1.00  0.00           S  
HETATM   26  C   UNL     1       8.518  -1.032   0.387  1.00  0.00           C  
HETATM   27  C   UNL     1       7.961  -2.011  -0.332  1.00  0.00           C  
HETATM   28  C   UNL     1       6.647  -1.799  -0.687  1.00  0.00           C  
HETATM   29  H   UNL     1      -5.309  -2.557  -1.129  1.00  0.00           H  
HETATM   30  H   UNL     1      -9.561   1.182   0.242  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.608  -1.084  -0.879  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.315  -2.165  -1.165  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.327   0.921   0.600  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.931   1.538  -0.085  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.251  -2.391   0.964  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.914  -3.127   1.171  1.00  0.00           H  
HETATM   37  H   UNL     1       0.921  -1.547   0.749  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.585   2.700  -0.390  1.00  0.00           H  
HETATM   39  H   UNL     1       1.251   4.281  -0.812  1.00  0.00           H  
HETATM   40  H   UNL     1       3.588   3.542  -0.615  1.00  0.00           H  
HETATM   41  H   UNL     1       2.268  -0.384   0.445  1.00  0.00           H  
HETATM   42  H   UNL     1       5.058   1.686   0.465  1.00  0.00           H  
HETATM   43  H   UNL     1       3.080  -0.457  -1.411  1.00  0.00           H  
HETATM   44  H   UNL     1       9.535  -1.041   0.749  1.00  0.00           H  
HETATM   45  H   UNL     1       8.500  -2.905  -0.609  1.00  0.00           H  
HETATM   46  H   UNL     1       6.068  -2.503  -1.267  1.00  0.00           H  
CONECT    1    2    2   29                                            
CONECT    2    8    3    1    1                                       
CONECT    3    2    7    7    4                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6   30                                       
CONECT    6    7    5    5   31                                       
CONECT    7    3    3    6   32                                       
CONECT    8    9    2   33                                            
CONECT    9   11   11   10    8                                       
CONECT   10   14   14    9   34                                       
CONECT   11   12    9    9   35                                       
CONECT   12   13   13   11   36                                       
CONECT   13   12   12   14   37                                       
CONECT   14   13   15   10   10                                       
CONECT   15   16   16   19   14                                       
CONECT   16   17   15   15   38                                       
CONECT   17   18   18   16   39                                       
CONECT   18   17   17   20   40                                       
CONECT   19   20   20   15   41                                       
CONECT   20   18   21   19   19                                       
CONECT   21   22   20   42                                            
CONECT   22   24   23   23   21                                       
CONECT   23   22   22   43                                            
CONECT   24   28   28   25   22                                       
CONECT   25   26   24                                                 
CONECT   26   27   27   25   44                                       
CONECT   27   26   26   28   45                                       
CONECT   28   27   24   24   46                                       
CONECT   29    1                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
