summaryrefslogtreecommitdiff
path: root/cad/tests/AMBER_test_structures/mmp/AminoAcids/TYR_TYROSINE.mmp
blob: 80a83a030f81ead38a1e99c9e027ae1cc8aaf438 (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
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
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) (12.530908) (0.000000, 0.000000, 0.000000) (1.000000)
csys (HomeView1) (1.000000, 0.000000, 0.000000, 0.000000) (10.000000) (0.000000, 0.000000, 0.000000) (1.000000)
csys (LastView1) (0.965474, 0.127192, -0.200452, 0.107242) (9.547311) (0.000000, 0.000000, 0.000000) (1.000000)
egroup (View Data)
group (TYR_TYROSINE)
info opengroup open = True
mol (Chunk1) def
atom 1 (7) (-4678, -1653, -216) def
info atom atomtype = sp2(graphitic)
atom 2 (1) (-5182, -1570, 663) def
bond1 1
atom 3 (1) (-4881, -2428, -843) def
bond1 1
atom 4 (6) (-3632, -632, -590) def
bond1 1
atom 5 (1) (-3394, -8, 272) def
bond1 4
atom 6 (6) (-4125, 347, -1695) def
info atom atomtype = sp2
bond1 4
atom 7 (8) (-4731, -37, -2676) def
info atom atomtype = sp2
bond2 6
atom 8 (8) (-3830, 1764, -1520) def
bond1 6
atom 9 (1) (-4508, 2162, -958) def
bond1 8
atom 10 (6) (-2283, -1282, -1029) def
bond1 4
atom 11 (1) (-1522, -514, -1157) def
bond1 10
atom 12 (1) (-2407, -1766, -1989) def
bond1 10
atom 13 (6) (-1793, -2302, -18) def
info atom atomtype = sp2
bond1 10
atom 14 (6) (-1603, -3685, -415) def
info atom atomtype = sp2
bond1 13
atom 15 (1) (-1798, -3971, -1374) def
bond1 14
atom 16 (6) (-1515, -1894, 1348) def
info atom atomtype = sp2
bond1 13
atom 17 (1) (-1649, -922, 1627) def
bond1 16
atom 18 (6) (-1123, -4682, 574) def
info atom atomtype = sp2
bond1 14
atom 19 (1) (-989, -5654, 295) def
bond1 18
atom 20 (6) (-1036, -2891, 2337) def
info atom atomtype = sp2
bond1 16
atom 21 (1) (-840, -2604, 3297) def
bond1 20
atom 22 (6) (-840, -4285, 1950) def
info atom atomtype = sp2
bond1 20 18
atom 23 (8) (-366, -5259, 2936) def
bond1 22
atom 24 (1) (524, -4914, 3234) def
bond1 23
egroup (TYR_TYROSINE)
end1
group (Clipboard)
info opengroup open = False
group (Clipboard item 1)
info opengroup open = True
mol (Chunk1) def
atom 25 (7) (-5956, -1311, 53) def
info atom atomtype = sp2(graphitic)
atom 26 (1) (-6647, -648, 393) def
bond1 25
atom 27 (1) (-6234, -2264, -166) def
bond1 25
atom 28 (6) (-4521, -878, -132) def
bond1 25
atom 29 (1) (-4223, -240, 701) def
bond1 28
atom 30 (6) (-4335, -23, -1421) def
info atom atomtype = sp2
bond1 28
atom 31 (8) (-4820, -345, -2485) def
info atom atomtype = sp2
bond2 30
atom 32 (8) (-3544, 1199, -1313) def
bond1 30
atom 33 (1) (-4100, 1908, -964) def
bond1 32
atom 34 (6) (-3527, -2085, -141) def
bond1 28
atom 35 (1) (-3647, -2708, 744) def
bond1 34
atom 36 (1) (-3647, -2700, -1031) def
bond1 34
mol (CYM_CYSTEINE_with_negative_charge.in_frag) def
atom 37 (16) (-1759, -1529, -132) def
info atom atomtype = sp2
bond1 34
egroup (Clipboard item 1)
egroup (Clipboard)
end molecular machine part TYR_TYROSINE