summaryrefslogtreecommitdiff
path: root/sim/src/tests/floppy_organics/C6H12a.mmp
blob: 9c97d666108e45839a4d5f66e50921431a2e5752 (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) (6.785862) (-0.000000, -0.000000, -0.000000) (1.000000)
egroup (View Data)
group (C6H12a)
info opengroup open = True
mol (C6H12a.pdb) def
atom 1 (6) (-767, -9, -1273) def
atom 2 (6) (771, 10, -1271) def
bond1 1
atom 3 (6) (1323, 671, 3) def
bond1 2
atom 4 (6) (-771, -9, 1270) def
atom 5 (6) (-1323, -671, -3) def
bond1 1 4
atom 6 (6) (767, 7, 1272) def
bond1 3 4
atom 7 (1) (-1138, -528, -2166) def
bond1 1
atom 8 (1) (-1136, 1025, -1338) def
bond1 1
atom 9 (1) (1146, 531, -2161) def
bond1 2
atom 10 (1) (1141, -1022, -1335) def
bond1 2
atom 11 (1) (2420, 637, 4) def
bond1 3
atom 12 (1) (1048, 1737, 4) def
bond1 3
atom 13 (1) (-1146, -528, 2161) def
bond1 4
atom 14 (1) (-1138, 1025, 1333) def
bond1 4
atom 15 (1) (-2420, -636, -5) def
bond1 5
atom 16 (1) (-1049, -1737, -2) def
bond1 5
atom 17 (1) (1135, -1028, 1333) def
bond1 6
atom 18 (1) (1140, 523, 2166) def
bond1 6
egroup (C6H12a)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C6H12a