sim/src/tests/rigid_organics/C4H8.pdb


1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26

COMPND  from C4H8.pdb                                                           
HETATM    1  C                   0.195  -1.054   0.259                
HETATM    2  C                  -0.931  -0.294  -0.500                
HETATM    3  C                  -0.195   1.054  -0.251                
HETATM    4  C                   0.931   0.294   0.508                
HETATM    5  H                  -0.135  -1.573   1.154                
HETATM    6  H                   0.754  -1.769  -0.354                
HETATM    7  H                  -1.922  -0.366  -0.047                
HETATM    8  H                  -1.034  -0.570  -1.557                
HETATM    9  H                  -0.755   1.769   0.354                
HETATM   10  H                   0.135   1.573  -1.154                
HETATM   11  H                   1.922   0.366   0.055                
HETATM   12  H                   1.034   0.570   1.557                
CONECT    1    2    4    5    6                              
CONECT    2    1    3    7    8                              
CONECT    3    2    4    9   10                              
CONECT    4    1    3   11   12                              
CONECT    5    1                                             
CONECT    6    1                                             
CONECT    7    2                                             
CONECT    8    2                                             
CONECT    9    3                                             
CONECT   10    3                                             
CONECT   11    4                                             
CONECT   12    4                                             
END