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
|
mmpformat 050920 required; 060421 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) (5.656335) (-0.043000, 0.172000, 2.921000) (1.000000)
egroup (View Data)
group (CarbonRingMoiety)
info opengroup open = True
mol (Moiety) def
atom 1 (6) (1377, -2003, -2960) def
info atom atomtype = sp2
atom 2 (6) (8, -2429, -2989) def
info atom atomtype = sp2
bonda 1
atom 3 (6) (-1281, -2005, -3019) def
info atom atomtype = sp2
bonda 2
atom 4 (6) (-2108, -835, -3026) def
info atom atomtype = sp2
bonda 3
atom 5 (6) (-2104, 522, -3023) def
info atom atomtype = sp2
bonda 4
atom 6 (6) (-1249, 1670, -2992) def
info atom atomtype = sp2
bonda 5
atom 7 (0) (7, -3193, -2897) def
bond1 2
atom 8 (0) (-2836, -1073, -2946) def
bond1 4
atom 9 (0) (-1742, -2616, -2943) def
bond1 3
atom 10 (0) (1814, -2630, -2865) def
bond1 1
atom 11 (0) (2901, -1141, -2818) def
atom 12 (0) (2922, 748, -2816) def
atom 13 (0) (1844, 2245, -2819) def
atom 14 (0) (55, 2849, -2869) def
atom 15 (0) (-1701, 2286, -2902) def
bond1 6
atom 16 (0) (-2829, 769, -2947) def
bond1 5
atom 17 (6) (43, 2086, -2964) def
info atom atomtype = sp2
bond1 14
bonda 6
atom 18 (6) (1399, 1627, -2931) def
info atom atomtype = sp2
bond1 13
bonda 17
atom 19 (6) (2194, 525, -2924) def
info atom atomtype = sp2
bond1 12
bonda 18
atom 20 (6) (2177, -906, -2930) def
info atom atomtype = sp2
bond1 11
bonda 19 1
egroup (CarbonRingMoiety)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part CarbonRingMoiety
|
