summaryrefslogtreecommitdiff
path: root/cad/tests/AMBER_test_structures/mmp/AminoAcids/ASP_ASPARTIC_ACID.mmp
blob: 355055f8c83f7b4b856ad82d77811e2e1f8f4c5e (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
mmpformat 080327 required; 080529 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) (9.998639) (0.000000, 0.000000, 0.000000) (1.000000)
egroup (View Data)
group (ASP_ASPARTIC_ACID)
info opengroup open = True
mol (Chunk1) def
atom 1 (7) (-6593, -1506, -30) def
info atom atomtype = sp2(graphitic)
atom 2 (1) (-7157, -906, 403) def
bond1 1
atom 3 (1) (-6953, -2222, -503) def
bond1 1
atom 4 (6) (-5096, -1314, 35) def
bond1 1
atom 5 (1) (-4792, -1137, 1058) def
bond1 4
atom 6 (6) (-4629, -67, -769) def
info atom atomtype = sp2
bond1 4
atom 7 (8) (-5002, 75, -2171) def
info atom atomtype = sp2
bond2 6
atom 8 (8) (-3817, 962, -129) def
bond1 6
atom 9 (1) (-4422, 1667, 244) def
bond1 8
atom 10 (6) (-4302, -2555, -433) def
bond1 4
atom 11 (1) (-4551, -3401, 195) def
bond1 10
atom 12 (1) (-4558, -2781, -1460) def
bond1 10
atom 13 (6) (-2847, -2278, -335) def
info atom atomtype = sp2
bond1 10
atom 14 (8) (-2308, -1266, -1033) def
info atom atomtype = sp2
bond2 13
atom 15 (8) (-2035, -3073, 486) def
info atom atomtype = sp2(-)
bond1 13
egroup (ASP_ASPARTIC_ACID)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part ASP_ASPARTIC_ACID