summaryrefslogtreecommitdiff
path: root/sim/src/tests/rigid_organics/C8H8.mmp
blob: bc747cf2c1d951feba2c7c844e35f2fdaf5fde39 (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
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
mmpformat 050502 required; 050706 preferred
kelvin 300
group (View Data)
info opengroup open = True
csys (HomeView) (1.000000, 0.000000, 0.000000, 0.000000) (10.000000) (0.000000, 0.000000, 0.000000) (1.000000)
csys (LastView) (1.000000, 0.000000, 0.000000, 0.000000) (6.510190) (-0.000000, -0.000000, -0.000000) (1.000000)
egroup (View Data)
group (C8H8)
info opengroup open = True
mol (C8H8.pdb) def
atom 1 (6) (-494, 331, 1187) def
atom 2 (6) (-939, 938, -162) def
bond1 1
atom 3 (6) (538, 1079, -574) def
bond1 2
atom 4 (6) (494, -335, -1194) def
bond1 3
atom 5 (6) (-537, -1077, 566) def
bond1 1
atom 6 (6) (978, 471, 766) def
bond1 1 3
atom 7 (6) (-978, -471, -774) def
bond1 2 4 5
atom 8 (6) (940, -937, 142) def
bond1 4 5 6
atom 9 (1) (-893, 600, 2153) def
bond1 1
atom 10 (1) (-1690, 1693, -284) def
bond1 2
atom 11 (1) (971, 1947, -1033) def
bond1 3
atom 12 (1) (894, -594, -2153) def
bond1 4
atom 13 (1) (-971, -1947, 1025) def
bond1 5
atom 14 (1) (1766, 850, 1392) def
bond1 6
atom 15 (1) (-1766, -848, -1392) def
bond1 7
atom 16 (1) (1691, -1691, 273) def
bond1 8
egroup (C8H8)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C8H8