COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.960   0.440  -0.124  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.481   0.641  -1.388  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.391  -0.259  -1.912  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.779  -1.360  -1.172  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.257  -1.561   0.093  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.349  -0.660   0.617  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.440   1.730  -0.743  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.302   1.034  -0.892  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.435  -0.182  -0.085  1.00  0.00           C  
HETATM   10  C   UNL     1       0.396  -1.282   0.159  1.00  0.00           C  
HETATM   11  C   UNL     1       2.415  -2.506  -0.120  1.00  0.00           C  
HETATM   12  C   UNL     1       3.755  -2.408  -0.852  1.00  0.00           C  
HETATM   13  C   UNL     1       5.814  -1.144  -1.008  1.00  0.00           C  
HETATM   14  C   UNL     1       6.567   0.033  -0.443  1.00  0.00           C  
HETATM   15  C   UNL     1       7.412  -0.141   0.637  1.00  0.00           C  
HETATM   16  C   UNL     1       8.103   0.939   1.154  1.00  0.00           C  
HETATM   17  C   UNL     1       7.948   2.192   0.593  1.00  0.00           C  
HETATM   18  C   UNL     1       7.103   2.366  -0.487  1.00  0.00           C  
HETATM   19  C   UNL     1       6.416   1.286  -1.008  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.043  -2.296   0.989  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.298  -2.226   1.577  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.125  -1.150   1.345  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.705  -0.116   0.513  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.288   1.061   0.098  1.00  0.00           N  
HETATM   25  N   UNL     1       4.518  -1.269  -0.326  1.00  0.00           N  
HETATM   26  O   UNL     1      -4.010   2.814  -0.136  1.00  0.00           O  
HETATM   27  O   UNL     1       1.625  -1.353  -0.416  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.867   1.452   1.954  1.00  0.00           O  
HETATM   29  S   UNL     1      -3.796   1.583   0.541  1.00  0.00           S  
HETATM   30  H   UNL     1      -5.178   1.501  -1.967  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.798  -0.101  -2.900  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.490  -2.062  -1.581  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.560  -2.421   0.671  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.942  -0.817   1.605  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.653   2.678  -1.213  1.00  0.00           H  
HETATM   36  H   UNL     1       0.550   1.316  -1.492  1.00  0.00           H  
HETATM   37  H   UNL     1       1.887  -3.402  -0.446  1.00  0.00           H  
HETATM   38  H   UNL     1       2.591  -2.559   0.955  1.00  0.00           H  
HETATM   39  H   UNL     1       4.321  -3.327  -0.698  1.00  0.00           H  
HETATM   40  H   UNL     1       3.577  -2.266  -1.918  1.00  0.00           H  
HETATM   41  H   UNL     1       5.650  -0.993  -2.075  1.00  0.00           H  
HETATM   42  H   UNL     1       6.394  -2.054  -0.855  1.00  0.00           H  
HETATM   43  H   UNL     1       7.533  -1.120   1.075  1.00  0.00           H  
HETATM   44  H   UNL     1       8.763   0.803   1.998  1.00  0.00           H  
HETATM   45  H   UNL     1       8.488   3.036   0.997  1.00  0.00           H  
HETATM   46  H   UNL     1       6.982   3.346  -0.926  1.00  0.00           H  
HETATM   47  H   UNL     1       5.759   1.421  -1.854  1.00  0.00           H  
HETATM   48  H   UNL     1       0.594  -3.147   1.180  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.629  -3.025   2.224  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.099  -1.107   1.808  1.00  0.00           H  
HETATM   51  H   UNL     1       3.987  -0.414  -0.399  1.00  0.00           H  
CONECT    1   29    2    2    6                                       
CONECT    2    1    1    3   30                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    5   32                                       
CONECT    5    6    6    4   33                                       
CONECT    6    1    5    5   34                                       
CONECT    7    8    8   24   35                                       
CONECT    8    9    7    7   36                                       
CONECT    9   10   10   23    8                                       
CONECT   10   20   27    9    9                                       
CONECT   11   27   12   37   38                                       
CONECT   12   11   25   39   40                                       
CONECT   13   25   14   41   42                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   43                                       
CONECT   16   15   17   17   44                                       
CONECT   17   16   16   18   45                                       
CONECT   18   19   19   17   46                                       
CONECT   19   14   18   18   47                                       
CONECT   20   21   21   10   48                                       
CONECT   21   20   20   22   49                                       
CONECT   22   21   23   23   50                                       
CONECT   23   22   22    9   24                                       
CONECT   24   23    7   29                                            
CONECT   25   12   13   51                                            
CONECT   26   29   29                                                 
CONECT   27   10   11                                                 
CONECT   28   29   29                                                 
CONECT   29   24   28   28   26                                       
CONECT   29   26    1                                                 
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
