summaryrefslogtreecommitdiff
path: root/sim/src/tests/floppy_organics/test_C6H12b.mmp
blob: e0514166898346bb5a03d41e05a8defb8ebcf9fd (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
48
49
50
51
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) (6.705229) (-0.000000, -0.000000, -0.000000) (1.000000)
egroup (View Data)
group (C6H12b)
info opengroup open = True
mol (C6H12b.pdb) def
atom 1 (6) (-438, -99, -1505) def
atom 2 (6) (844, 669, -1097) def
bond1 1
atom 3 (6) (1218, -652, -583) def
bond1 2
atom 4 (6) (-672, 645, 1226) def
atom 5 (6) (-1855, -230, -638) def
bond1 1 4
atom 6 (6) (386, -486, 1259) def
bond1 3 4
atom 7 (1) (-990, -721, -1755) def
bond1 1
atom 8 (1) (-1509, 1167, -1511) def
bond1 1
atom 9 (1) (945, -46, -1809) def
bond1 2
atom 10 (1) (1060, 1176, -1038) def
bond1 2
atom 11 (1) (2055, -62, -56) def
bond1 3
atom 12 (1) (1094, -1538, -134) def
bond1 3
atom 13 (1) (-1317, 356, 1946) def
bond1 4
atom 14 (1) (-741, 1166, 1301) def
bond1 4
atom 15 (1) (-2021, 44, -54) def
bond1 5
atom 16 (1) (-1686, -1814, 549) def
bond1 5
atom 17 (1) (582, -814, 1988) def
bond1 6
atom 18 (1) (1105, 571, 1341) def
bond1 6
egroup (C6H12b)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C6H12b