path: root/sim/src/tests/floppy_organics/C4H10c.pdb

COMPND  C4H10c.pdb                                                              
HETATM    1  C                   0.741   1.312  -0.109                
HETATM    2  C                   0.087  -0.019   0.291                
HETATM    3  C                  -1.330  -0.130  -0.290                
HETATM    4  C                   0.958  -1.211  -0.131                
HETATM    5  H                   0.133   2.164   0.214                
HETATM    6  H                   0.850   1.375  -1.200                
HETATM    7  H                   1.738   1.422   0.333                
HETATM    8  H                   0.004  -0.036   1.388                
HETATM    9  H                  -1.815  -1.062   0.020                
HETATM   10  H                  -1.962   0.702   0.036                
HETATM   11  H                  -1.310  -0.119  -1.388                
HETATM   12  H                   0.520  -2.164   0.187                
HETATM   13  H                   1.962  -1.140   0.300                
HETATM   14  H                   1.065  -1.242  -1.223                
CONECT    1    2    5    6    7                              
CONECT    2    1    3    4    8                              
CONECT    3    2    9   10   11                              
CONECT    4    2   12   13   14                              
CONECT    5    1                                             
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                                             
END