summaryrefslogtreecommitdiff
path: root/sim/src/tests/floppy_organics/C7H14b.mmp
blob: 4b83d459259627e71002791f18749ffa96055af9 (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
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) (0.927860, -0.361381, 0.001607, -0.092069) (4.190606) (-0.000000, -0.000000, -0.000000) (1.000000)
egroup (View Data)
group (C7H14b)
info opengroup open = True
mol (C7H14b.pdb) cpk
atom 1 (6) (-904, 1188, 378) def
atom 2 (6) (510, 1610, -61) def
bond1 1
atom 3 (6) (1646, 696, 419) def
bond1 2
atom 4 (6) (350, -1555, 360) def
atom 5 (6) (-1561, 92, -477) def
bond1 1
atom 6 (6) (-914, -1326, -486) def
bond1 4 5
atom 7 (6) (1589, -753, -80) def
bond1 3 4
atom 8 (1) (-1558, 2069, 328) def
bond1 1
atom 9 (1) (-888, 897, 1438) def
bond1 1
atom 10 (1) (707, 2624, 309) def
bond1 2
atom 11 (1) (534, 1681, -1159) def
bond1 2
atom 12 (1) (2604, 1135, 113) def
bond1 3
atom 13 (1) (1657, 693, 1520) def
bond1 3
atom 14 (1) (591, -2624, 296) def
bond1 4
atom 15 (1) (146, -1364, 1423) def
bond1 4
atom 16 (1) (-2604, -4, -151) def
bond1 5
atom 17 (1) (-1612, 465, -1508) def
bond1 5
atom 18 (1) (-1667, -2056, -161) def
bond1 6
atom 19 (1) (-672, -1600, -1520) def
bond1 6
atom 20 (1) (1649, -768, -1178) def
bond1 7
atom 21 (1) (2490, -1270, 275) def
bond1 7
egroup (C7H14b)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C7H14b