summaryrefslogtreecommitdiff
path: root/sim/src/tests/amino_acids/phe_l_aminoacid.mmp
blob: f46aa2b671c29e09e7a9d0af0d8e683a74313340 (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
64
65
66
67
68
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) (-0.349564, -0.669274, 0.655084, 0.027243) (8.332322) (-0.025500, 0.041000, -0.032500) (1.000000)
egroup (View Data)
group (phe)
info opengroup open = True
mol (phe.pdb) cpk
atom 1 (7) (2289, 1228, 357) def
atom 2 (6) (1105, 1065, 1193) def
bond1 1
atom 3 (6) (1447, 1293, 2658) def
info atom atomtype = sp2
bond1 2
atom 4 (8) (742, 1861, 3459) def
info atom atomtype = sp2
bond2 3
atom 5 (8) (2624, 711, 3004) def
bond1 3
atom 6 (6) (367, -310, 1073) def
bond1 2
atom 7 (6) (-213, -527, -305) def
info atom atomtype = sp2
bond1 6
atom 8 (6) (-1279, -850, -2893) def
info atom atomtype = sp2
atom 9 (6) (-1464, 12, -640) def
info atom atomtype = sp2
bonda 7
atom 10 (6) (495, -1228, -1292) def
info atom atomtype = sp2
bonda 7
atom 11 (6) (-33, -1390, -2575) def
info atom atomtype = sp2
bonda 8 10
atom 12 (6) (-1995, -148, -1920) def
info atom atomtype = sp2
bonda 8 9
atom 13 (1) (2059, 991, -605) def
bond1 1
atom 14 (1) (3020, 591, 664) def
bond1 1
atom 15 (1) (388, 1852, 935) def
bond1 2
atom 16 (1) (-432, -340, 1825) def
bond1 6
atom 17 (1) (1079, -1105, 1324) def
bond1 6
atom 18 (1) (-2029, 556, 113) def
bond1 9
atom 19 (1) (1461, -1665, -1049) def
bond1 10
atom 20 (1) (529, -1943, -3323) def
bond1 11
atom 21 (1) (-2969, 271, -2155) def
bond1 12
atom 22 (1) (-1692, -978, -3889) def
bond1 8
atom 23 (1) (2740, 883, 3954) def
bond1 5
egroup (phe)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part phe