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
|
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) (9.554274) (0.000000, 0.000000, 0.000000) (1.000000)
egroup (View Data)
group (ALA_ALANINE)
info opengroup open = True
mol (Chunk1) def
atom 1 (7) (-6469, -1679, 111) def
info atom atomtype = sp2(graphitic)
atom 2 (1) (-6893, -1391, 887) def
bond1 1
atom 3 (1) (-6955, -2127, -544) def
bond1 1
atom 4 (6) (-4994, -1415, -86) def
bond1 1
atom 5 (1) (-4448, -1699, 804) def
bond1 4
atom 6 (6) (-4693, 95, -306) def
info atom atomtype = sp2
bond1 4
atom 7 (8) (-5386, 829, -1358) def
info atom atomtype = sp2
bond2 6
atom 8 (8) (-3718, 784, 532) def
bond1 6
atom 9 (1) (-4192, 1188, 1315) def
bond1 8
atom 10 (6) (-4373, -2243, -1250) def
bond1 4
atom 11 (1) (-4504, -3303, -1078) def
bond1 10
atom 12 (1) (-3313, -2047, -1342) def
bond1 10
atom 13 (1) (-4843, -1995, -2193) def
bond1 10
egroup (ALA_ALANINE)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part ALA_ALANINE
|
