sim/src/tests/floppy_organics/C5H12c.pdb


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COMPND  C5H12c.pdb                                                              
HETATM    1  C                   0.355   0.621   0.308                
HETATM    2  C                   0.046  -0.755  -0.312                
HETATM    3  C                  -1.318  -1.307   0.132                
HETATM    4  C                  -0.579   1.758  -0.127                
HETATM    5  C                   1.169  -1.753   0.010                
HETATM    6  H                   0.342   0.535   1.405                
HETATM    7  H                   1.385   0.898   0.043                
HETATM    8  H                   0.017  -0.627  -1.405                
HETATM    9  H                  -1.497  -2.298  -0.300                
HETATM   10  H                  -2.143  -0.656  -0.174                
HETATM   11  H                  -1.357  -1.406   1.224                
HETATM   12  H                  -0.242   2.716   0.284                
HETATM   13  H                  -0.594   1.852  -1.219                
HETATM   14  H                  -1.609   1.600   0.206                
HETATM   15  H                   1.005  -2.716  -0.488                
HETATM   16  H                   1.229  -1.945   1.088                
HETATM   17  H                   2.143  -1.370  -0.315                
CONECT    1    2    4    6    7                              
CONECT    2    1    3    5    8                              
CONECT    3    2    9   10   11                              
CONECT    4    1   12   13   14                              
CONECT    5    2   15   16   17                              
CONECT    6    1                                             
CONECT    7    1                                             
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