summaryrefslogtreecommitdiff
path: root/sim/src/tests/floppy_organics/test_C4H10b.mmp
blob: 9bdc0c298242a8be5e652210d6c803799cb0024a (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
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) (6.371581) (-0.000000, -0.000000, -0.000000) (1.000000)
egroup (View Data)
group (C4H10b)
info opengroup open = True
mol (C4H10b.pdb) def
atom 1 (6) (733, -425, -1122) def
atom 2 (6) (-560, -241, -730) def
bond1 1
atom 3 (6) (91, -541, 729) def
bond1 2
atom 4 (6) (29, 591, 1104) def
bond1 3
atom 5 (1) (94, -686, -2394) def
bond1 1
atom 6 (1) (1065, -1644, -1271) def
bond1 1
atom 7 (1) (1578, 421, -1410) def
bond1 1
atom 8 (1) (-972, -1988, -1158) def
bond1 2
atom 9 (1) (-999, 741, -1415) def
bond1 2
atom 10 (1) (-1479, -919, 1022) def
bond1 3
atom 11 (1) (-128, -1373, 1113) def
bond1 3
atom 12 (1) (267, 571, 2777) def
bond1 4
atom 13 (1) (637, 1183, 1134) def
bond1 4
atom 14 (1) (-481, 1503, 1251) def
bond1 4
egroup (C4H10b)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C4H10b