sim/src/tests/floppy_organics/C5H12d.pdb


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COMPND  C5H12d.pdb                                                              
HETATM    1  C                   0.013  -0.608   0.662                
HETATM    2  C                  -0.055   0.907   0.363                
HETATM    3  C                  -1.300  -1.335   0.334                
HETATM    4  C                   1.208  -1.289  -0.023                
HETATM    5  C                  -0.257   1.298  -1.109                
HETATM    6  H                   0.169  -0.697   1.746                
HETATM    7  H                   0.871   1.371   0.727                
HETATM    8  H                  -0.868   1.344   0.959                
HETATM    9  H                  -1.249  -2.388   0.634                
HETATM   10  H                  -1.524  -1.311  -0.738                
HETATM   11  H                  -2.150  -0.883   0.861                
HETATM   12  H                   1.310  -2.329   0.308                
HETATM   13  H                   2.150  -0.776   0.210                
HETATM   14  H                   1.100  -1.308  -1.113                
HETATM   15  H                  -0.257   2.388  -1.216                
HETATM   16  H                  -1.211   0.933  -1.503                
HETATM   17  H                   0.542   0.907  -1.746                
CONECT    1    2    3    4    6                              
CONECT    2    1    5    7    8                              
CONECT    3    1    9   10   11                              
CONECT    4    1   12   13   14                              
CONECT    5    2   15   16   17                              
CONECT    6    1                                             
CONECT    7    2                                             
CONECT    8    2                                             
CONECT    9    3                                             
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