c60.pdb @ 8c9ffde

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.1.1release-4.1.2release-4.2.2release_4.0.1ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload

Last change on this file since 8c9ffde was 8c9ffde, checked in by krzywon, 9 years ago
Found more folders with the name sans and about 50% done converting all test files.
Property mode set to `100644`
File size: 3.5 KB

Line
1	HEADER WRS C60
2	COMPND C60
3	ATOM 1 C ??? 1 -0.733 -1.008 3.326
4	ATOM 2 C ??? 1 0.733 -1.008 3.326
5	ATOM 3 C ??? 1 1.185 0.385 3.326
6	ATOM 4 C ??? 1 0.000 1.246 3.326
7	ATOM 5 C ??? 1 -1.185 0.385 3.326
8	ATOM 6 C ??? 1 -1.421 -1.956 2.602
9	ATOM 7 C ??? 1 1.421 -1.956 2.602
10	ATOM 8 C ??? 1 2.299 0.747 2.602
11	ATOM 9 C ??? 1 0.000 2.417 2.602
12	ATOM 10 C ??? 1 -2.299 0.747 2.602
13	ATOM 11 C ??? 1 -0.688 -2.964 1.832
14	ATOM 12 C ??? 1 0.688 -2.964 1.832
15	ATOM 13 C ??? 1 2.606 -1.570 1.832
16	ATOM 14 C ??? 1 3.032 -0.261 1.832
17	ATOM 15 C ??? 1 2.299 1.993 1.832
18	ATOM 16 C ??? 1 1.185 2.802 1.832
19	ATOM 17 C ??? 1 -1.185 2.802 1.832
20	ATOM 18 C ??? 1 -2.299 1.993 1.832
21	ATOM 19 C ??? 1 -3.032 -0.261 1.832
22	ATOM 20 C ??? 1 -2.606 -1.570 1.832
23	ATOM 21 C ??? 1 -2.606 -2.341 0.585
24	ATOM 22 C ??? 1 -1.421 -3.202 0.585
25	ATOM 23 C ??? 1 1.421 -3.202 0.585
26	ATOM 24 C ??? 1 2.606 -2.341 0.585
27	ATOM 25 C ??? 1 3.484 0.362 0.585
28	ATOM 26 C ??? 1 3.032 1.755 0.585
29	ATOM 27 C ??? 1 0.733 3.426 0.585
30	ATOM 28 C ??? 1 -0.733 3.426 0.585
31	ATOM 29 C ??? 1 -3.032 1.755 0.585
32	ATOM 30 C ??? 1 -3.484 0.362 0.585
33	ATOM 31 C ??? 1 -0.733 -3.426 -0.585
34	ATOM 32 C ??? 1 0.733 -3.426 -0.585
35	ATOM 33 C ??? 1 3.032 -1.755 -0.585
36	ATOM 34 C ??? 1 3.484 -0.362 -0.585
37	ATOM 35 C ??? 1 2.606 2.341 -0.585
38	ATOM 36 C ??? 1 1.421 3.202 -0.585
39	ATOM 37 C ??? 1 -1.421 3.202 -0.585
40	ATOM 38 C ??? 1 -2.606 2.341 -0.585
41	ATOM 39 C ??? 1 -3.484 -0.362 -0.585
42	ATOM 40 C ??? 1 -3.032 -1.755 -0.585
43	ATOM 41 C ??? 1 -2.299 -1.993 -1.832
44	ATOM 42 C ??? 1 -1.185 -2.802 -1.832
45	ATOM 43 C ??? 1 1.185 -2.802 -1.832
46	ATOM 44 C ??? 1 2.299 -1.993 -1.832
47	ATOM 45 C ??? 1 3.032 0.261 -1.832
48	ATOM 46 C ??? 1 2.606 1.570 -1.832
49	ATOM 47 C ??? 1 0.688 2.964 -1.832
50	ATOM 48 C ??? 1 -0.688 2.964 -1.832
51	ATOM 49 C ??? 1 -2.606 1.570 -1.832
52	ATOM 50 C ??? 1 -3.032 0.261 -1.832
53	ATOM 51 C ??? 1 -2.299 -0.747 -2.602
54	ATOM 52 C ??? 1 0.000 -2.417 -2.602
55	ATOM 53 C ??? 1 2.299 -0.747 -2.602
56	ATOM 54 C ??? 1 1.421 1.956 -2.602
57	ATOM 55 C ??? 1 -1.421 1.956 -2.602
58	ATOM 56 C ??? 1 -1.185 -0.385 -3.326
59	ATOM 57 C ??? 1 0.000 -1.246 -3.326
60	ATOM 58 C ??? 1 1.185 -0.385 -3.326
61	ATOM 59 C ??? 1 0.733 1.008 -3.326
62	ATOM 60 C ??? 1 -0.733 1.008 -3.326
63	CONECT 1 2
64	CONECT 2 3
65	CONECT 3 4
66	CONECT 4 5
67	CONECT 5 1
68	END

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source: sasview/test/sascalculator/test/c60.pdb @ 8c9ffde

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