COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.650   1.462   1.301  1.00  0.00           N  
HETATM    2  N   UNL     1       0.357  -1.323  -0.802  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.068  -0.450   1.636  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.187  -1.327   1.047  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.940  -1.278  -0.314  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.590  -0.336  -1.089  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.972  -2.244  -0.946  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.455  -3.677  -0.713  1.00  0.00           C  
HETATM    9  C   UNL     1       2.688  -0.783  -0.093  1.00  0.00           C  
HETATM   10  C   UNL     1       5.102   0.447  -0.370  1.00  0.00           C  
HETATM   11  C   UNL     1       2.899   0.044  -1.189  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.477   0.547  -0.500  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.162  -2.670   0.853  1.00  0.00           C  
HETATM   14  C   UNL     1       1.110  -2.264   1.073  1.00  0.00           C  
HETATM   15  C   UNL     1       4.820  -0.392   0.697  1.00  0.00           C  
HETATM   16  C   UNL     1       4.124   0.671  -1.334  1.00  0.00           C  
HETATM   17  C   UNL     1       7.269   0.762   0.557  1.00  0.00           C  
HETATM   18  C   UNL     1       8.570   1.516   0.272  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.181   2.296   0.403  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.739   0.515   0.870  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.609  -2.067  -0.327  1.00  0.00           C  
HETATM   22  N   UNL     1       1.455  -1.427   0.061  1.00  0.00           N  
HETATM   23  N   UNL     1       3.641  -0.974   0.804  1.00  0.00           N  
HETATM   24  O   UNL     1      -6.991   3.181   0.614  1.00  0.00           O  
HETATM   25  O   UNL     1       6.320   1.043  -0.473  1.00  0.00           O  
HETATM   26  O   UNL     1       8.331   2.923   0.351  1.00  0.00           O  
HETATM   27  S   UNL     1      -5.469   1.856  -1.158  1.00  0.00           S  
HETATM   28  H   UNL     1      -5.895   1.522   2.238  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.245  -0.506   2.700  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.680  -2.062   1.655  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.405  -0.290  -2.152  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.912  -2.051  -2.017  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.441  -3.805  -1.161  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.755  -4.376  -1.170  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.515  -3.871   0.358  1.00  0.00           H  
HETATM   36  H   UNL     1       2.117   0.195  -1.918  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.730  -3.343   1.478  1.00  0.00           H  
HETATM   38  H   UNL     1       1.737  -2.552   1.905  1.00  0.00           H  
HETATM   39  H   UNL     1       5.574  -0.571   1.449  1.00  0.00           H  
HETATM   40  H   UNL     1       4.316   1.320  -2.176  1.00  0.00           H  
HETATM   41  H   UNL     1       7.469  -0.309   0.585  1.00  0.00           H  
HETATM   42  H   UNL     1       6.867   1.082   1.519  1.00  0.00           H  
HETATM   43  H   UNL     1       9.323   1.234   1.008  1.00  0.00           H  
HETATM   44  H   UNL     1       8.925   1.263  -0.727  1.00  0.00           H  
HETATM   45  H   UNL     1       9.114   3.465   0.181  1.00  0.00           H  
CONECT    1   20   19   28                                            
CONECT    2   21   21   22                                            
CONECT    3    4    4   20   29                                       
CONECT    4    3    3    5   30                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5   12   31                                       
CONECT    7    5    8   21   32                                       
CONECT    8    7   33   34   35                                       
CONECT    9   22   23   23   11                                       
CONECT   10   15   15   16   25                                       
CONECT   11    9   16   16   36                                       
CONECT   12   20   20    6   27                                       
CONECT   13   21   14   14   37                                       
CONECT   14   13   13   22   38                                       
CONECT   15   23   10   10   39                                       
CONECT   16   11   11   10   40                                       
CONECT   17   25   18   41   42                                       
CONECT   18   17   26   43   44                                       
CONECT   19    1   24   24   27                                       
CONECT   20    3    1   12   12                                       
CONECT   21    7   13    2    2                                       
CONECT   22    2   14    9                                            
CONECT   23    9    9   15                                            
CONECT   24   19   19                                                 
CONECT   25   10   17                                                 
CONECT   26   18   45                                                 
CONECT   27   19   12                                                 
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
