summaryrefslogtreecommitdiff
path: root/sim/src/tests/floppy_organics/C4H10a.pdb
blob: 42ed0ae12d13e7e62a61cf9acb9a63358c3269f8 (plain)
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
27
28
29
30
COMPND  C4H10a.pdb                                                              
HETATM    1  C                   1.795  -0.803  -0.005                
HETATM    2  C                   0.265  -0.719  -0.003                
HETATM    3  C                  -0.265   0.719   0.003                
HETATM    4  C                  -1.795   0.803   0.005                
HETATM    5  H                   2.137  -1.843  -0.010                
HETATM    6  H                   2.221  -0.317   0.881                
HETATM    7  H                   2.219  -0.309  -0.887                
HETATM    8  H                  -0.130  -1.253   0.873                
HETATM    9  H                  -0.132  -1.246  -0.882                
HETATM   10  H                   0.130   1.253  -0.873                
HETATM   11  H                   0.132   1.247   0.882                
HETATM   12  H                  -2.137   1.843   0.010                
HETATM   13  H                  -2.219   0.309   0.887                
HETATM   14  H                  -2.221   0.317  -0.881                
CONECT    1    2    5    6    7                              
CONECT    2    1    3    8    9                              
CONECT    3    2    4   10   11                              
CONECT    4    3   12   13   14                              
CONECT    5    1                                             
CONECT    6    1                                             
CONECT    7    1                                             
CONECT    8    2                                             
CONECT    9    2                                             
CONECT   10    3                                             
CONECT   11    3                                             
CONECT   12    4                                             
CONECT   13    4                                             
CONECT   14    4                                             
END