sim/src/tests/floppy_organics/C5H12b.pdb


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COMPND  C5H12b.pdb                                                              
HETATM    1  C                  -0.154  -0.214  -1.348                
HETATM    2  C                  -0.894  -0.634  -0.066                
HETATM    3  C                  -0.275  -0.165   1.263                
HETATM    4  C                   1.272  -0.761  -1.462                
HETATM    5  C                  -0.260   1.358   1.449                
HETATM    6  H                  -0.741  -0.565  -2.207                
HETATM    7  H                  -0.137   0.881  -1.430                
HETATM    8  H                  -1.929  -0.270  -0.121                
HETATM    9  H                  -0.961  -1.732  -0.050                
HETATM   10  H                   0.746  -0.552   1.357                
HETATM   11  H                  -0.846  -0.619   2.083                
HETATM   12  H                   1.718  -0.503  -2.428                
HETATM   13  H                   1.286  -1.854  -1.372                
HETATM   14  H                   1.929  -0.360  -0.683                
HETATM   15  H                   0.144   1.634   2.428                
HETATM   16  H                  -1.272   1.773   1.376                
HETATM   17  H                   0.355   1.854   0.690                
CONECT    1    2    4    6    7                              
CONECT    2    1    3    8    9                              
CONECT    3    2    5   10   11                              
CONECT    4    1   12   13   14                              
CONECT    5    3   15   16   17                              
CONECT    6    1                                             
CONECT    7    1                                             
CONECT    8    2                                             
CONECT    9    2                                             
CONECT   10    3                                             
CONECT   11    3                                             
CONECT   12    4                                             
CONECT   13    4                                             
CONECT   14    4                                             
CONECT   15    5                                             
CONECT   16    5                                             
CONECT   17    5                                             
END