summaryrefslogtreecommitdiff
path: root/sim/src/tests/heteroatom_organics/C_CH3_3_SiH3.mmp
blob: a663326f08a23c0a99066f4fcfb8e9832156f477 (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
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) (6.643917) (0.119000, -0.000000, -0.243000) (1.000000)
egroup (View Data)
group (C_CH3_3_SiH3)
info opengroup open = True
mol (C_CH3_3_SiH3.pdb) cpk
atom 1 (6) (0, 0, -172) def
atom 2 (6) (727, -1259, -687) def
bond1 1
atom 3 (6) (727, 1259, -687) def
bond1 1
atom 4 (6) (-1453, 0, -687) def
bond1 1
atom 5 (14) (0, 0, 1740) def
bond1 1
atom 6 (1) (1771, -1297, -356) def
bond1 2
atom 7 (1) (238, 2183, -356) def
bond1 3
atom 8 (1) (-2009, 885, -356) def
bond1 4
atom 9 (1) (238, -2183, -356) def
bond1 2
atom 10 (1) (1771, 1297, -356) def
bond1 3
atom 11 (1) (-2009, -885, -356) def
bond1 4
atom 12 (1) (735, -1273, -1786) def
bond1 2
atom 13 (1) (735, 1273, -1786) def
bond1 3
atom 14 (1) (-1470, 0, -1786) def
bond1 4
atom 15 (1) (-697, 1208, 2272) def
bond1 5
atom 16 (1) (-697, -1208, 2272) def
bond1 5
atom 17 (1) (1395, 0, 2272) def
bond1 5
egroup (C_CH3_3_SiH3)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C_CH3_3_SiH3