summaryrefslogtreecommitdiff
path: root/sim/src/tests/heteroatom_organics/B_ADAM_C3v.mmp
blob: bd8da21d2a215fb61beed387359032e1f28a3126 (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
52
53
54
55
56
57
58
59
60
61
62
63
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) (6.892641) (0.001500, -0.000000, 0.902500) (1.000000)
egroup (View Data)
group (B_ADAM_C3v)
info opengroup open = True
mol (B_ADAM_C3v.pdb) cpk
atom 1 (6) (-771, 1336, 518) def
atom 2 (6) (-771, -1336, 518) def
atom 3 (6) (1543, 0, 518) def
atom 4 (5) (0, 0, 817) def
bond1 1 2 3
atom 5 (6) (-736, 1274, -1062) def
bond1 1
atom 6 (6) (-736, -1274, -1062) def
bond1 2
atom 7 (6) (1471, 0, -1062) def
bond1 3
atom 8 (6) (729, -1262, -1554) def
bond1 6 7
atom 9 (6) (729, 1262, -1554) def
bond1 5 7
atom 10 (6) (-1457, 0, -1554) def
bond1 5 6
atom 11 (1) (-275, 2256, 848) def
bond1 1
atom 12 (1) (-1817, -1366, 848) def
bond1 2
atom 13 (1) (2091, 890, 848) def
bond1 3
atom 14 (1) (-1817, 1366, 848) def
bond1 1
atom 15 (1) (-275, -2256, 848) def
bond1 2
atom 16 (1) (2091, -890, 848) def
bond1 3
atom 17 (1) (-1247, 2160, -1462) def
bond1 5
atom 18 (1) (-1247, -2160, -1462) def
bond1 6
atom 19 (1) (2494, 0, -1462) def
bond1 7
atom 20 (1) (749, -1297, -2653) def
bond1 8
atom 21 (1) (749, 1297, -2653) def
bond1 9
atom 22 (1) (-1497, 0, -2653) def
bond1 10
atom 23 (1) (1249, -2163, -1202) def
bond1 8
atom 24 (1) (1249, 2163, -1202) def
bond1 9
atom 25 (1) (-2497, 0, -1202) def
bond1 10
egroup (B_ADAM_C3v)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part B_ADAM_C3v