summaryrefslogtreecommitdiff
path: root/sim/src/tests/floppy_organics/test_C5H12d.mmp
blob: 24d32a682c784a1ac4d2b7c7276a49a728fbc126 (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
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) (6.761358) (-0.000000, -0.000000, -0.000000) (1.000000)
egroup (View Data)
group (C5H12d)
info opengroup open = True
mol (C5H12d.pdb) def
atom 1 (6) (-168, -389, 707) def
atom 2 (6) (-24, 1036, 183) def
bond1 1
atom 3 (6) (-1067, -1125, 793) def
bond1 1
atom 4 (6) (1091, -1472, -225) def
bond1 1
atom 5 (6) (-232, 1503, -911) def
bond1 2
atom 6 (1) (-115, -302, 1712) def
bond1 1
atom 7 (1) (965, 1424, 1210) def
bond1 2
atom 8 (1) (-1226, 1349, 841) def
bond1 2
atom 9 (1) (-1042, -2398, 215) def
bond1 3
atom 10 (1) (-863, -1131, -640) def
bond1 3
atom 11 (1) (-1906, -1280, 1045) def
bond1 3
atom 12 (1) (1748, -2235, 294) def
bond1 4
atom 13 (1) (1988, -595, 467) def
bond1 4
atom 14 (1) (1252, -951, -673) def
bond1 4
atom 15 (1) (-250, 2245, -955) def
bond1 5
atom 16 (1) (-679, 1252, -1577) def
bond1 5
atom 17 (1) (794, 505, -2003) def
bond1 5
egroup (C5H12d)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C5H12d