COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.741   2.457  -0.723  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.286   1.333   0.051  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.823   0.034  -0.556  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.431   0.006  -1.703  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.815   1.391   0.025  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.288   2.673   0.714  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.805   2.804   0.562  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.928   2.616   2.200  1.00  0.00           C  
HETATM    9  C   UNL     1       3.019  -0.594  -0.151  1.00  0.00           C  
HETATM   10  C   UNL     1       4.222   1.424  -0.774  1.00  0.00           C  
HETATM   11  C   UNL     1       3.153  -1.163   1.285  1.00  0.00           C  
HETATM   12  C   UNL     1       2.363  -2.490   1.184  1.00  0.00           C  
HETATM   13  C   UNL     1       3.501   3.560  -0.162  1.00  0.00           C  
HETATM   14  C   UNL     1       1.448  -2.292  -0.041  1.00  0.00           C  
HETATM   15  C   UNL     1       2.392   2.983   0.503  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.017  -2.449   0.374  1.00  0.00           C  
HETATM   17  C   UNL     1       2.250   1.640   0.498  1.00  0.00           C  
HETATM   18  N   UNL     1       3.173   0.863  -0.146  1.00  0.00           N  
HETATM   19  N   UNL     1       4.389   2.759  -0.785  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.845  -1.097   0.177  1.00  0.00           N  
HETATM   21  O   UNL     1      -2.447  -3.507   0.532  1.00  0.00           O  
HETATM   22  O   UNL     1       5.034   0.714  -1.336  1.00  0.00           O  
HETATM   23  O   UNL     1       4.523  -1.408   1.610  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.987  -2.636  -1.748  1.00  0.00           O  
HETATM   25  O   UNL     1       3.253  -3.588   0.974  1.00  0.00           O  
HETATM   26  O   UNL     1       3.651   4.768  -0.171  1.00  0.00           O  
HETATM   27  O   UNL     1       1.676  -0.961  -0.534  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.850  -2.380  -0.785  1.00  0.00           O  
HETATM   29  S   UNL     1      -2.336  -2.525  -0.489  1.00  0.00           S  
HETATM   30  H   UNL     1      -1.733   2.478  -0.668  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.050   2.419  -1.683  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.937   1.398   1.081  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.162   1.385  -1.008  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.220   0.526   0.550  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.801   3.533   0.255  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.290   1.922   0.979  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.148   3.693   1.092  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.057   2.891  -0.495  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.847   2.523   2.309  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.265   3.529   2.691  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.415   1.756   2.659  1.00  0.00           H  
HETATM   42  H   UNL     1       3.749  -1.054  -0.816  1.00  0.00           H  
HETATM   43  H   UNL     1       2.696  -0.492   2.013  1.00  0.00           H  
HETATM   44  H   UNL     1       1.768  -2.649   2.083  1.00  0.00           H  
HETATM   45  H   UNL     1       1.697  -3.021  -0.811  1.00  0.00           H  
HETATM   46  H   UNL     1       1.670   3.608   1.007  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.154  -3.413   0.863  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.287  -1.650   1.064  1.00  0.00           H  
HETATM   49  H   UNL     1       1.410   1.182   1.000  1.00  0.00           H  
HETATM   50  H   UNL     1       5.151   3.147  -1.243  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.159  -1.075   1.094  1.00  0.00           H  
HETATM   52  H   UNL     1       4.658  -1.764   2.499  1.00  0.00           H  
HETATM   53  H   UNL     1       3.889  -3.720   1.690  1.00  0.00           H  
CONECT    1    2   30   31                                            
CONECT    2    5    1    3   32                                       
CONECT    3    2    4    4   20                                       
CONECT    4    3    3                                                 
CONECT    5    6    2   33   34                                       
CONECT    6    8    5    7   35                                       
CONECT    7    6   36   37   38                                       
CONECT    8    6   39   40   41                                       
CONECT    9   27   11   18   42                                       
CONECT   10   22   22   18   19                                       
CONECT   11   12    9   23   43                                       
CONECT   12   25   14   11   44                                       
CONECT   13   19   15   26   26                                       
CONECT   14   12   27   16   45                                       
CONECT   15   17   17   13   46                                       
CONECT   16   14   28   47   48                                       
CONECT   17   18   15   15   49                                       
CONECT   18    9   10   17                                            
CONECT   19   10   13   50                                            
CONECT   20    3   29   51                                            
CONECT   21   29   29                                                 
CONECT   22   10   10                                                 
CONECT   23   11   52                                                 
CONECT   24   29   29                                                 
CONECT   25   12   53                                                 
CONECT   26   13   13                                                 
CONECT   27   14    9                                                 
CONECT   28   16   29                                                 
CONECT   29   28   20   21   21                                       
CONECT   29   24   24                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
