sim/src/tests/floppy_organics/C6H14e.pdb


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COMPND  C6H14e.pdb                                                              
HETATM    1  C                  -0.083  -0.325  -0.637                
HETATM    2  C                  -0.606   1.042  -0.152                
HETATM    3  C                   1.400  -0.539  -0.255                
HETATM    4  C                  -0.971  -1.492  -0.174                
HETATM    5  C                  -1.976   1.444  -0.707                
HETATM    6  C                   1.700  -0.675   1.244                
HETATM    7  H                  -0.111  -0.308  -1.738                
HETATM    8  H                  -0.646   1.050   0.947                
HETATM    9  H                   0.126   1.812  -0.432                
HETATM   10  H                   1.763  -1.440  -0.771                
HETATM   11  H                   1.987   0.297  -0.660                
HETATM   12  H                  -0.568  -2.452  -0.514                
HETATM   13  H                  -1.989  -1.400  -0.565                
HETATM   14  H                  -1.041  -1.528   0.920                
HETATM   15  H                  -2.773   0.768  -0.382                
HETATM   16  H                  -2.252   2.452  -0.376                
HETATM   17  H                  -1.977   1.449  -1.804                
HETATM   18  H                   2.773  -0.827   1.407                
HETATM   19  H                   1.178  -1.528   1.688                
HETATM   20  H                   1.409   0.220   1.804                
CONECT    1    2    3    4    7                              
CONECT    2    1    5    8    9                              
CONECT    3    1    6   10   11                              
CONECT    4    1   12   13   14                              
CONECT    5    2   15   16   17                              
CONECT    6    3   18   19   20                              
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                                             
CONECT   18    6                                             
CONECT   19    6                                             
CONECT   20    6                                             
END