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
|
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) (9.252082) (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 (PRO_PROLINE)
info opengroup open = True
mol (Chunk1) def
atom 1 (7) (-4985, -1491, -402) def
info atom atomtype = sp2(graphitic)
atom 2 (1) (-5759, -1209, 195) def
bond1 1
atom 3 (6) (-3808, -618, -721) def
bond1 1
atom 4 (1) (-3278, -325, 185) def
bond1 3
atom 5 (6) (-4204, 693, -1462) def
info atom atomtype = sp2
bond1 3
atom 6 (8) (-4962, 697, -2408) def
info atom atomtype = sp2
bond2 5
atom 7 (8) (-3623, 1941, -977) def
bond1 5
atom 8 (1) (-4257, 2380, -396) def
bond1 7
atom 9 (6) (-2835, -1479, -1591) def
bond1 3
atom 10 (1) (-1899, -1635, -1072) def
bond1 9
atom 11 (1) (-2603, -982, -2524) def
bond1 9
atom 12 (6) (-4883, -2831, -1064) def
bond1 1
atom 13 (1) (-4892, -3647, -355) def
bond1 12
atom 14 (1) (-5705, -3023, -1742) def
bond1 12
atom 15 (6) (-3542, -2849, -1859) def
bond1 12 9
atom 16 (1) (-3728, -2979, -2917) def
bond1 15
atom 17 (1) (-2917, -3671, -1537) def
bond1 15
egroup (PRO_PROLINE)
end1
group (Clipboard)
info opengroup open = False
group (Clipboard item 1)
info opengroup open = True
mol (Chunk1) def
atom 18 (7) (-5956, -1311, 53) def
info atom atomtype = sp2(graphitic)
atom 19 (1) (-6647, -648, 393) def
bond1 18
atom 20 (1) (-6234, -2264, -166) def
bond1 18
atom 21 (6) (-4521, -878, -132) def
bond1 18
atom 22 (1) (-4223, -240, 701) def
bond1 21
atom 23 (6) (-4335, -23, -1421) def
info atom atomtype = sp2
bond1 21
atom 24 (8) (-4820, -345, -2485) def
info atom atomtype = sp2
bond2 23
atom 25 (8) (-3544, 1199, -1313) def
bond1 23
atom 26 (1) (-4100, 1908, -964) def
bond1 25
atom 27 (6) (-3527, -2085, -141) def
bond1 21
atom 28 (1) (-3647, -2708, 744) def
bond1 27
atom 29 (1) (-3647, -2700, -1031) def
bond1 27
mol (CYM_CYSTEINE_with_negative_charge.in_frag) def
atom 30 (16) (-1759, -1529, -132) def
info atom atomtype = sp2
bond1 27
egroup (Clipboard item 1)
egroup (Clipboard)
end molecular machine part PRO_PROLINE
|
