COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.074   0.153  -1.197  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.959  -0.664  -1.198  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.401  -1.072  -0.001  1.00  0.00           C  
HETATM    4  C   UNL     1       0.815  -1.963  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       6.599  -0.248  -0.003  1.00  0.00           C  
HETATM    6  C   UNL     1       6.410   2.153   0.002  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.085  -1.360   1.251  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.086  -1.360  -1.249  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.958  -0.664   1.197  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.074   0.153   1.197  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.632   0.561   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.025  -1.137  -0.001  1.00  0.00           N  
HETATM   13  C   UNL     1       3.239  -1.722  -0.001  1.00  0.00           C  
HETATM   14  O   UNL     1       3.331  -2.935  -0.002  1.00  0.00           O  
HETATM   15  C   UNL     1       4.454  -0.893  -0.002  1.00  0.00           C  
HETATM   16  C   UNL     1       5.729  -1.363  -0.002  1.00  0.00           C  
HETATM   17  C   UNL     1       7.988  -0.092   0.001  1.00  0.00           C  
HETATM   18  N   UNL     1       8.516   1.113   0.006  1.00  0.00           N  
HETATM   19  C   UNL     1       7.775   2.210   0.007  1.00  0.00           C  
HETATM   20  C   UNL     1       5.785   0.906  -0.002  1.00  0.00           C  
HETATM   21  N   UNL     1       4.481   0.490  -0.007  1.00  0.00           N  
HETATM   22  S   UNL     1      -4.053   1.602   0.000  1.00  0.00           S  
HETATM   23  O   UNL     1      -4.055   2.278   1.250  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.056   2.278  -1.250  1.00  0.00           O  
HETATM   25  N   UNL     1      -5.383   0.615   0.001  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.984   0.169   1.265  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.848  -1.805   0.001  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.985   0.169  -1.263  1.00  0.00           C  
HETATM   29  H   UNL     1      -2.507   0.475  -2.133  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.524  -0.984  -2.133  1.00  0.00           H  
HETATM   31  H   UNL     1       0.804  -2.592   0.889  1.00  0.00           H  
HETATM   32  H   UNL     1       0.804  -2.592  -0.891  1.00  0.00           H  
HETATM   33  H   UNL     1       5.823   3.060   0.003  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.084  -1.790   1.239  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.615  -1.697   2.141  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.085  -1.790  -1.238  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.618  -1.697  -2.139  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.522  -0.983   2.132  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.509   0.472   2.132  1.00  0.00           H  
HETATM   40  H   UNL     1       1.952  -0.170  -0.001  1.00  0.00           H  
HETATM   41  H   UNL     1       6.025  -2.402  -0.003  1.00  0.00           H  
HETATM   42  H   UNL     1       8.629  -0.961   0.001  1.00  0.00           H  
HETATM   43  H   UNL     1       8.261   3.174   0.010  1.00  0.00           H  
HETATM   44  H   UNL     1       3.703   1.069  -0.008  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.980   0.600   1.369  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.358   0.486   2.099  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.942  -2.891   0.001  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.840  -1.354   0.002  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.359   0.486  -2.098  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.981   0.600  -1.366  1.00  0.00           H  
CONECT    1   11   11    2   29                                       
CONECT    2    1    3    3   30                                       
CONECT    3    2    2    9    4                                       
CONECT    4    3   12   31   32                                       
CONECT    5   16   20   20   17                                       
CONECT    6   20   19   19   33                                       
CONECT    7   27   26   34   35                                       
CONECT    8   27   28   36   37                                       
CONECT    9   10   10    3   38                                       
CONECT   10   11    9    9   39                                       
CONECT   11   22    1    1   10                                       
CONECT   12    4   13   40                                            
CONECT   13   14   14   12   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   16   21                                       
CONECT   16   15   15    5   41                                       
CONECT   17    5   18   18   42                                       
CONECT   18   17   17   19                                            
CONECT   19    6    6   18   43                                       
CONECT   20   21    5    5    6                                       
CONECT   21   15   20   44                                            
CONECT   22   25   23   23   24                                       
CONECT   22   24   11                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   28   26   22                                            
CONECT   26    7   25   45   46                                       
CONECT   27    8    7   47   48                                       
CONECT   28    8   25   49   50                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
