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Ticket #3642: ses.pdb

File ses.pdb, 5.0 KB (added by pett, 5 years ago)

Line
1	ATOM 1 C1 A 4 1 2.177 -4.107 0.434 1.00 0.00 C
2	ATOM 2 C2 A 4 1 1.050 -3.357 1.131 1.00 0.00 C
3	ATOM 3 O1 A 4 1 0.511 -3.771 2.139 1.00 0.00 O
4	ATOM 4 N1 A 4 1 0.655 -2.193 0.502 1.00 0.00 N
5	ATOM 5 C3 A 4 1 -0.490 -1.390 0.941 1.00 0.00 C
6	ATOM 6 C4 A 4 1 -0.331 0.068 0.445 1.00 0.00 C
7	ATOM 7 C5 A 4 1 -1.578 0.912 0.813 1.00 0.00 C
8	ATOM 8 C6 A 4 1 -2.803 0.232 0.155 1.00 0.00 C
9	ATOM 9 O2 A 4 1 -2.930 -1.096 0.712 1.00 0.00 O
10	ATOM 10 C7 A 4 1 -1.834 -1.993 0.427 1.00 0.00 C
11	ATOM 11 O3 A 4 1 -1.801 -2.199 -0.988 1.00 0.00 O
12	ATOM 12 O4 A 4 1 -3.962 1.034 0.402 1.00 0.00 O
13	ATOM 13 S1 A 4 1 -5.219 0.859 -0.609 1.00 0.00 S
14	ATOM 14 O5 A 4 1 -5.166 -0.399 -1.321 1.00 0.00 O
15	ATOM 15 O6 A 4 1 -6.465 1.296 -0.007 1.00 0.00 O
16	ATOM 16 O7 A 4 1 -4.848 1.967 -1.730 1.00 0.00 O
17	ATOM 17 O8 A 4 1 -1.726 1.001 2.240 1.00 0.00 O
18	ATOM 18 O9 A 4 1 0.867 0.667 1.006 1.00 0.00 O
19	ATOM 19 C8 A 4 1 1.502 1.650 0.163 1.00 0.00 C
20	ATOM 20 C9 A 4 1 2.651 2.359 0.931 1.00 0.00 C
21	ATOM 21 C10 A 4 1 3.839 1.393 1.194 1.00 0.00 C
22	ATOM 22 C11 A 4 1 4.300 0.667 -0.101 1.00 0.00 C
23	ATOM 23 C12 A 4 1 3.066 -0.009 -0.755 1.00 0.00 C
24	ATOM 24 O10 A 4 1 2.027 0.974 -0.998 1.00 0.00 O
25	ATOM 25 C13 A 4 1 3.416 -0.764 -2.044 1.00 0.00 C
26	ATOM 26 O11 A 4 1 3.097 -0.419 -3.168 1.00 0.00 O
27	ATOM 27 O12 A 4 1 3.949 -1.984 -1.822 1.00 0.00 O
28	ATOM 28 O13 A 4 1 4.962 1.554 -1.012 1.00 0.00 O
29	ATOM 29 O14 A 4 1 4.915 2.054 1.869 1.00 0.00 O
30	ATOM 30 O15 A 4 1 3.065 3.510 0.184 1.00 0.00 O
31	ATOM 31 H1 A 4 1 2.357 -5.066 0.937 1.00 0.00 H
32	ATOM 32 H2 A 4 1 1.914 -4.298 -0.615 1.00 0.00 H
33	ATOM 33 H3 A 4 1 3.097 -3.512 0.461 1.00 0.00 H
34	ATOM 34 H4 A 4 1 1.128 -1.922 -0.350 1.00 0.00 H
35	ATOM 35 H5 A 4 1 -0.513 -1.384 2.039 1.00 0.00 H
36	ATOM 36 H6 A 4 1 -0.253 0.031 -0.652 1.00 0.00 H
37	ATOM 37 H7 A 4 1 -1.468 1.920 0.391 1.00 0.00 H
38	ATOM 38 H8 A 4 1 -2.645 0.163 -0.926 1.00 0.00 H
39	ATOM 39 H9 A 4 1 -2.012 -2.959 0.924 1.00 0.00 H
40	ATOM 40 H10 A 4 1 -2.676 -2.540 -1.252 1.00 0.00 H
41	ATOM 41 H11 A 4 1 -5.404 1.680 -2.473 1.00 0.00 H
42	ATOM 42 H12 A 4 1 -2.564 1.456 2.440 1.00 0.00 H
43	ATOM 43 H13 A 4 1 0.766 2.402 -0.151 1.00 0.00 H
44	ATOM 44 H14 A 4 1 2.261 2.690 1.904 1.00 0.00 H
45	ATOM 45 H15 A 4 1 3.463 0.612 1.871 1.00 0.00 H
46	ATOM 46 H16 A 4 1 5.006 -0.122 0.183 1.00 0.00 H
47	ATOM 47 H17 A 4 1 2.699 -0.757 -0.046 1.00 0.00 H
48	ATOM 48 H18 A 4 1 4.031 -2.380 -2.708 1.00 0.00 H
49	ATOM 49 H19 A 4 1 5.189 1.067 -1.823 1.00 0.00 H
50	ATOM 50 H20 A 4 1 5.682 1.458 1.884 1.00 0.00 H
51	ATOM 51 H21 A 4 1 2.317 4.124 0.116 1.00 0.00 H
52	CONECT 1 2 31 33 32
53	CONECT 21 29 45 20 22
54	CONECT 22 46 23 28 21
55	CONECT 23 24 25 47 22
56	CONECT 25 27 23 26
57	CONECT 2 4 1 3
58	CONECT 5 4 10 35 6
59	CONECT 6 36 7 5 18
60	CONECT 7 37 17 8 6
61	CONECT 8 12 7 38 9
62	CONECT 10 39 11 5 9
63	CONECT 19 24 43 20 18
64	CONECT 20 19 44 30 21
65	CONECT 31 1
66	CONECT 40 11
67	CONECT 41 16
68	CONECT 42 17
69	CONECT 43 19
70	CONECT 44 20
71	CONECT 45 21
72	CONECT 46 22
73	CONECT 47 23
74	CONECT 48 27
75	CONECT 49 28
76	CONECT 32 1
77	CONECT 50 29
78	CONECT 51 30
79	CONECT 33 1
80	CONECT 34 4
81	CONECT 35 5
82	CONECT 36 6
83	CONECT 37 7
84	CONECT 38 8
85	CONECT 39 10
86	CONECT 4 2 34 5
87	CONECT 3 2
88	CONECT 24 19 23
89	CONECT 26 25
90	CONECT 27 25 48
91	CONECT 28 49 22
92	CONECT 29 21 50
93	CONECT 30 20 51
94	CONECT 9 10 8
95	CONECT 11 10 40
96	CONECT 12 13 8
97	CONECT 14 13
98	CONECT 15 13
99	CONECT 16 41 13
100	CONECT 17 42 7
101	CONECT 18 19 6
102	CONECT 13 12 16 15 14
103	END

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