COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.892   2.176  -0.363  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.956   1.209   0.370  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.197  -1.257   0.727  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.844   3.688   0.039  1.00  0.00           C  
HETATM    5  C   UNL     1       5.008   0.809  -0.009  1.00  0.00           C  
HETATM    6  C   UNL     1       4.912  -0.154   0.979  1.00  0.00           C  
HETATM    7  C   UNL     1       4.158  -1.291   0.767  1.00  0.00           C  
HETATM    8  C   UNL     1       3.495  -1.468  -0.441  1.00  0.00           C  
HETATM    9  C   UNL     1       3.593  -0.499  -1.432  1.00  0.00           C  
HETATM   10  C   UNL     1       4.345   0.639  -1.211  1.00  0.00           C  
HETATM   11  N   UNL     1       2.736  -2.619  -0.661  1.00  0.00           N  
HETATM   12  C   UNL     1       0.238  -1.484  -0.697  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.137  -1.457  -0.026  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.957  -0.407  -0.635  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.216  -0.199  -0.201  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.671  -0.882   0.696  1.00  0.00           O  
HETATM   17  N   UNL     1      -3.971   0.767  -0.761  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.310   0.915  -0.385  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.213   2.320   0.014  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.383  -0.049   0.338  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.061  -0.198  -0.033  1.00  0.00           C  
HETATM   22  S   UNL     1       1.253  -2.784   0.057  1.00  0.00           S  
HETATM   23  O   UNL     1       0.805  -4.068  -0.354  1.00  0.00           O  
HETATM   24  O   UNL     1       1.495  -2.497   1.428  1.00  0.00           O  
HETATM   25  S   UNL     1       5.971   2.258   0.266  1.00  0.00           S  
HETATM   26  O   UNL     1       5.459   3.252  -0.611  1.00  0.00           O  
HETATM   27  O   UNL     1       6.046   2.429   1.675  1.00  0.00           O  
HETATM   28  N   UNL     1       7.510   1.929  -0.248  1.00  0.00           N  
HETATM   29  H   UNL     1      -5.310   3.045  -0.636  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.990   1.323   0.661  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.693  -1.660  -0.156  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.540  -2.015   1.153  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.946  -0.968   1.465  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.704   4.135   1.023  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.375   4.318  -0.717  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.910   3.599  -0.172  1.00  0.00           H  
HETATM   37  H   UNL     1       5.427  -0.016   1.918  1.00  0.00           H  
HETATM   38  H   UNL     1       4.083  -2.043   1.539  1.00  0.00           H  
HETATM   39  H   UNL     1       3.079  -0.633  -2.372  1.00  0.00           H  
HETATM   40  H   UNL     1       4.421   1.393  -1.980  1.00  0.00           H  
HETATM   41  H   UNL     1       3.078  -3.323  -1.235  1.00  0.00           H  
HETATM   42  H   UNL     1       0.119  -1.687  -1.761  1.00  0.00           H  
HETATM   43  H   UNL     1       0.726  -0.518  -0.563  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.625  -2.423  -0.159  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.018  -1.254   1.038  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.594   0.138  -1.351  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.585   1.360  -1.425  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.614  -1.181  -0.057  1.00  0.00           H  
HETATM   49  H   UNL     1       8.069   2.642  -0.594  1.00  0.00           H  
HETATM   50  H   UNL     1       7.853   1.022  -0.203  1.00  0.00           H  
CONECT    1   19   19   18   29                                       
CONECT    2   20   20   19   30                                       
CONECT    3   20   31   32   33                                       
CONECT    4   19   34   35   36                                       
CONECT    5   10   10    6   25                                       
CONECT    6    7    7    5   37                                       
CONECT    7    8    6    6   38                                       
CONECT    8   11    9    9    7                                       
CONECT    9    8    8   10   39                                       
CONECT   10    9    5    5   40                                       
CONECT   11   22    8   41                                            
CONECT   12   13   22   42   43                                       
CONECT   13   14   12   44   45                                       
CONECT   14   15   13   46                                            
CONECT   15   17   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   47                                            
CONECT   18   21   21    1   17                                       
CONECT   19    2    4    1    1                                       
CONECT   20    3    2    2   21                                       
CONECT   21   20   18   18   48                                       
CONECT   22   12   24   24   23                                       
CONECT   22   23   11                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25    5   28   27   27                                       
CONECT   25   26   26                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   49   50                                            
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   17                                                      
CONECT   48   21                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
