sim/src/tests/floppy_organics/C3H8.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

COMPND  C3H8.pdb                                                                
HETATM    1  C                   1.396  -0.493  -0.002                
HETATM    2  C                  -0.137  -0.470   0.013                
HETATM    3  C                  -0.714   0.948   0.020                
HETATM    4  H                   1.777  -1.520   0.002                
HETATM    5  H                   1.809   0.020   0.874                
HETATM    6  H                   1.793   0.007  -0.894                
HETATM    7  H                  -0.500  -1.017   0.894                
HETATM    8  H                  -0.519  -1.016  -0.860                
HETATM    9  H                  -1.809   0.942   0.069                
HETATM   10  H                  -0.426   1.495  -0.886                
HETATM   11  H                  -0.346   1.520   0.880                
CONECT    1    2    4    5    6                              
CONECT    2    1    3    7    8                              
CONECT    3    2    9   10   11                              
CONECT    4    1                                             
CONECT    5    1                                             
CONECT    6    1                                             
CONECT    7    2                                             
CONECT    8    2                                             
CONECT    9    3                                             
CONECT   10    3                                             
CONECT   11    3                                             
END