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FragmentationAutomation: alkane-20.xyz

File alkane-20.xyz, 1.2 KB (added by FrederikHeber, 10 years ago)
XYZ coordinates file of an alkane of 20 carbon and 42 hydrogen atoms

Line
1	62
2	Created by molecuilder on Mon Aug 11 19:52:22 2014, time step 0
3	C 5.88998 6.5127 5.89
4	C 7.13918 5.6293 5.89
5	H 5.88998 7.142 5
6	H 5.88998 7.142 6.78
7	H 7.13918 5 5
8	H 7.13918 5 6.78
9	C 8.38848 6.5127 5.89
10	C 9.63768 5.6293 5.89
11	H 8.38848 7.142 5
12	H 8.38848 7.142 6.78
13	H 9.63768 5 5
14	H 9.63768 5 6.78
15	C 10.887 6.5127 5.89
16	C 12.1362 5.6293 5.89
17	H 10.887 7.142 5
18	H 10.887 7.142 6.78
19	H 12.1362 5 5
20	H 12.1362 5 6.78
21	C 13.3855 6.5127 5.89
22	C 14.6347 5.6293 5.89
23	H 13.3855 7.142 5
24	H 13.3855 7.142 6.78
25	H 14.6347 5 5
26	H 14.6347 5 6.78
27	C 15.884 6.5127 5.89
28	C 17.1332 5.6293 5.89
29	H 15.884 7.142 5
30	H 15.884 7.142 6.78
31	H 17.1332 5 5
32	H 17.1332 5 6.78
33	C 18.3825 6.5127 5.89
34	C 19.6317 5.6293 5.89
35	H 18.3825 7.142 5
36	H 18.3825 7.142 6.78
37	H 19.6317 5 5
38	H 19.6317 5 6.78
39	C 20.881 6.5127 5.89
40	C 22.1302 5.6293 5.89
41	H 20.881 7.142 5
42	H 20.881 7.142 6.78
43	H 22.1302 5 5
44	H 22.1302 5 6.78
45	C 23.3795 6.5127 5.89
46	C 24.6287 5.6293 5.89
47	H 23.3795 7.142 5
48	H 23.3795 7.142 6.78
49	H 24.6287 5 5
50	H 24.6287 5 6.78
51	C 25.878 6.5127 5.89
52	C 27.1272 5.6293 5.89
53	H 25.878 7.142 5
54	H 25.878 7.142 6.78
55	H 27.1272 5 5
56	H 27.1272 5 6.78
57	C 28.3765 6.5127 5.89
58	C 29.6257 5.6293 5.89
59	H 28.3765 7.142 5
60	H 28.3765 7.142 6.78
61	H 29.6257 5 5
62	H 29.6257 5 6.78
63	H 5 5.88338 5.89
64	H 30.5157 6.25865 5.89