Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DD2

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 52


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 5.225 0.25 0.445
2 C2 C C2 N Y N 0 4.739 0.956 -0.64
3 C3 C C3 N Y N 0 5.375 0.868 -1.864
4 C4 C C4 N Y N 0 6.497 0.072 -2.005
5 C5 C C5 N Y N 0 6.984 -0.635 -0.921
6 C6 C C6 N Y N 0 6.349 -0.547 0.304
7 C9 C C9 N N N 0 3.516 1.824 -0.487
8 C11 C C11 N N N 0 1.16 1.721 0.063
9 C14 C C14 N N N 0 0.87 -0.579 -1.673
10 C15 C C15 N N N 0 2.034 0.409 -1.777
11 O17 O O17 N N N 0 -2.699 -0.146 -0.583
12 C18 C C18 N Y N 0 -3.819 -0.889 -0.394
13 C19 C C19 N Y N 0 -3.789 -2.257 -0.577
14 C20 C C20 N Y N 0 -4.932 -3.023 -0.386
15 C21 C C21 N Y N 0 -6.112 -2.448 -0.013
16 C22 C C22 N Y N 0 -6.181 -1.062 0.183
17 C24 C C24 N Y N 0 -5.115 1.122 0.204
18 C26 C C26 N Y N 0 -7.355 0.851 0.727
19 CL8 CL CL8 N N N 0 4.431 0.366 1.985
20 CL7 CL CL7 N N N 0 6.961 -1.435 1.665
21 N10 N N10 N N N 0 2.316 0.976 -0.452
22 C23 C C23 N Y N 0 -5.02 -0.274 -0.005
23 C13 C C13 N N N 0 -0.365 0.15 -1.136
24 C12 C C12 N N N 0 -0.03 0.772 0.222
25 C16 C C16 N N N 0 -1.515 -0.846 -0.972
26 N29 N N29 N N N 0 -4.017 1.938 0.03
27 N25 N N25 N Y N 0 -6.285 1.626 0.571
28 N28 N N28 N N N 0 -8.547 1.437 1.111
29 N27 N N27 N Y N 0 -7.321 -0.456 0.55
30 H3 H H3 N N N 0 4.995 1.419 -2.711
31 H4 H H4 N N N 0 6.992 0.003 -2.962
32 H5 H H5 N N N 0 7.86 -1.257 -1.032
33 H9 H H9 N N N 0 3.586 2.391 0.44
34 H9A H H9A N N N 0 3.45 2.511 -1.33
35 H11 H H11 N N N 0 1.411 2.155 1.031
36 H11A H H11A N N N 0 0.9 2.516 -0.635
37 H14 H H14 N N N 0 0.651 -0.988 -2.659
38 H14A H H14A N N N 0 1.139 -1.388 -0.994
39 H15 H H15 N N N 0 2.919 -0.11 -2.146
40 H15A H H15A N N N 0 1.77 1.21 -2.467
41 H19 H H19 N N N 0 -2.868 -2.736 -0.872
42 H20 H H20 N N N 0 -4.887 -4.091 -0.535
43 H21 H H21 N N N 0 -6.99 -3.059 0.131
44 H13 H H13 N N N 0 -0.657 0.934 -1.834
45 H12 H H12 N N N 0 0.225 -0.016 0.931
46 H12A H H12A N N N 0 -0.892 1.329 0.59
47 H16 H H16 N N N 0 -1.257 -1.577 -0.206
48 H16A H H16A N N N 0 -1.69 -1.358 -1.919
49 HN2A H HN2A N N N 0 -3.99 2.811 0.453
50 HN29 H HN29 N N N 0 -3.273 1.64 -0.515
51 HN28 H HN28 N N N 0 -8.59 2.395 1.261
52 HN2B H HN2B N N N 0 -9.339 0.891 1.231