COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.084   1.274  -1.025  1.00  0.00           N  
HETATM    2  C   UNL     1       3.783  -2.887  -0.180  1.00  0.00           C  
HETATM    3  C   UNL     1       5.021  -0.846  -0.229  1.00  0.00           C  
HETATM    4  C   UNL     1       6.149  -1.571   0.149  1.00  0.00           C  
HETATM    5  C   UNL     1       5.106   0.620  -0.449  1.00  0.00           C  
HETATM    6  C   UNL     1       4.079   4.138  -0.352  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.253  -0.226   0.972  1.00  0.00           N  
HETATM    8  C   UNL     1       4.141   1.597  -0.077  1.00  0.00           C  
HETATM    9  C   UNL     1       2.822   1.382   0.619  1.00  0.00           C  
HETATM   10  N   UNL     1       6.077  -2.872   0.340  1.00  0.00           N  
HETATM   11  C   UNL     1       4.924  -5.025   0.421  1.00  0.00           C  
HETATM   12  O   UNL     1       5.862   2.462  -1.056  1.00  0.00           O  
HETATM   13  C   UNL     1       4.947  -3.536   0.188  1.00  0.00           C  
HETATM   14  C   UNL     1       0.519   1.114   0.111  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.539   1.033  -0.790  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.818   0.837  -0.312  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.002   0.726   1.075  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.891   0.819   1.914  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.351   0.522   1.638  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.622  -0.333   1.479  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.591   0.295   0.472  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.644  -0.352  -1.440  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.856  -0.919  -0.255  1.00  0.00           C  
HETATM   24  C   UNL     1       3.809  -1.520  -0.397  1.00  0.00           C  
HETATM   25  C   UNL     1       4.683   2.764  -0.493  1.00  0.00           C  
HETATM   26  N   UNL     1       0.313   1.001   1.414  1.00  0.00           N  
HETATM   27  O   UNL     1       1.777   1.307  -0.353  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.649   1.030   2.702  1.00  0.00           O  
HETATM   29  O   UNL     1      -7.139   0.176  -2.105  1.00  0.00           O  
HETATM   30  O   UNL     1      -6.690  -1.937  -0.945  1.00  0.00           O  
HETATM   31  S   UNL     1      -6.416  -0.555  -1.124  1.00  0.00           S  
HETATM   32  H   UNL     1       2.864  -3.442  -0.301  1.00  0.00           H  
HETATM   33  H   UNL     1       7.092  -1.062   0.283  1.00  0.00           H  
HETATM   34  H   UNL     1       4.397   4.579   0.593  1.00  0.00           H  
HETATM   35  H   UNL     1       4.412   4.768  -1.177  1.00  0.00           H  
HETATM   36  H   UNL     1       2.992   4.061  -0.370  1.00  0.00           H  
HETATM   37  H   UNL     1       2.858   0.453   1.187  1.00  0.00           H  
HETATM   38  H   UNL     1       2.629   2.214   1.296  1.00  0.00           H  
HETATM   39  H   UNL     1       4.693  -5.226   1.467  1.00  0.00           H  
HETATM   40  H   UNL     1       4.163  -5.480  -0.213  1.00  0.00           H  
HETATM   41  H   UNL     1       5.900  -5.446   0.177  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.361   1.122  -1.851  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.658   0.770  -0.988  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.020   0.736   2.983  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.876  -1.383   1.621  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.699   0.191   2.432  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.614   0.185   0.833  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.358   1.353   0.352  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.412   0.707  -1.559  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.372  -0.889  -2.349  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.790  -0.773  -0.424  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.066  -1.984  -0.156  1.00  0.00           H  
HETATM   53  H   UNL     1       2.916  -0.988  -0.690  1.00  0.00           H  
CONECT    1    5    5   12                                            
CONECT    2   13   13   24   32                                       
CONECT    3    5    4   24   24                                       
CONECT    4   10   10    3   33                                       
CONECT    5    8    3    1    1                                       
CONECT    6   25   34   35   36                                       
CONECT    7   23   20   19                                            
CONECT    8    9   25   25    5                                       
CONECT    9   27    8   37   38                                       
CONECT   10    4    4   13                                            
CONECT   11   13   39   40   41                                       
CONECT   12   25    1                                                 
CONECT   13   10   11    2    2                                       
CONECT   14   26   26   15   27                                       
CONECT   15   16   16   14   42                                       
CONECT   16   17   15   15   43                                       
CONECT   17   19   18   18   16                                       
CONECT   18   17   17   26   44                                       
CONECT   19    7   28   28   17                                       
CONECT   20   21    7   45   46                                       
CONECT   21   31   20   47   48                                       
CONECT   22   31   23   49   50                                       
CONECT   23   22    7   51   52                                       
CONECT   24    3    3    2   53                                       
CONECT   25    6    8    8   12                                       
CONECT   26   18   14   14                                            
CONECT   27   14    9                                                 
CONECT   28   19   19                                                 
CONECT   29   31   31                                                 
CONECT   30   31   31                                                 
CONECT   31   29   29   30   30                                       
CONECT   31   22   21                                                 
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
