Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XDA

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 60


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O8 O O8 N N N 0 4.596 -1.942 0.391
2 C7 C C7 N N N 0 5.728 -1.983 -0.041
3 N9 N N9 N N N 0 6.2 -3.122 -0.587
4 C11 C C11 N N N 0 7.608 -3.216 -0.981
5 C10 C C10 N N N 0 5.306 -4.265 -0.785
6 C4 C C4 S N N 0 6.606 -0.76 0.027
7 C5 C C5 N N N 0 6.881 -0.243 -1.391
8 C6 C C6 N N N 0 7.913 0.884 -1.303
9 C1 C C1 N N N 0 7.504 1.878 -0.257
10 C2 C C2 N N N 0 6.629 1.641 0.667
11 C3 C C3 R N N 0 5.893 0.342 0.814
12 N12 N N12 N N N 0 4.528 0.496 0.304
13 C13 C C13 N N N 0 3.565 1.0 1.1
14 O14 O O14 N N N 0 3.828 1.326 2.241
15 O15 O O15 N N N 0 2.31 1.143 0.632
16 C16 C C16 N N N 0 1.324 1.692 1.545
17 C17 C C17 N Y N 0 -0.011 1.777 0.851
18 C22 C C22 N Y N 0 -0.352 2.92 0.151
19 C21 C C21 N Y N 0 -1.572 3.004 -0.487
20 C18 C C18 N Y N 0 -0.888 0.708 0.912
21 C19 C C19 N Y N 0 -2.111 0.779 0.278
22 C20 C C20 N Y N 0 -2.464 1.932 -0.425
23 C23 C C23 N N N 0 -3.773 2.015 -1.106
24 O24 O O24 N N N 0 -4.076 3.019 -1.721
25 N25 N N25 N N N 0 -4.632 0.978 -1.044
26 C26 C C26 N N N 0 -5.93 1.06 -1.719
27 C27 C C27 N N N 0 -6.705 -0.24 -1.494
28 O28 O O28 N N N 0 -7.009 -0.379 -0.105
29 P29 P P29 N N N 0 -7.82 -1.634 0.494
30 O31 O O31 N N N 0 -6.952 -2.976 0.297
31 O30 O O30 N N N 0 -8.094 -1.397 2.063
32 O32 O O32 N N N 0 -9.111 -1.772 -0.217
33 H11B H H11B N N N 0 8.21 -3.493 -0.116
34 H11A H H11A N N N 0 7.718 -3.973 -1.758
35 H11C H H11C N N N 0 7.944 -2.252 -1.364
36 H10C H H10C N N N 0 4.845 -4.198 -1.771
37 H10B H H10B N N N 0 5.877 -5.19 -0.713
38 H10A H H10A N N N 0 4.53 -4.256 -0.02
39 H4 H H4 N N N 0 7.547 -1.011 0.518
40 H5A H H5A N N N 0 7.274 -1.053 -2.006
41 H5B H H5B N N N 0 5.958 0.138 -1.827
42 H6B H H6B N N N 0 8.885 0.464 -1.043
43 H6A H H6A N N N 0 7.983 1.385 -2.268
44 H1 H H1 N N N 0 7.97 2.852 -0.275
45 H2 H H2 N N N 0 6.415 2.427 1.376
46 H3 H H3 N N N 0 5.854 0.066 1.868
47 H12 H H12 N N N 0 4.318 0.236 -0.606
48 H16A H H16A N N N 0 1.239 1.046 2.419
49 H16B H H16B N N N 0 1.634 2.689 1.859
50 H22 H H22 N N N 0 0.339 3.749 0.104
51 H21 H H21 N N N 0 -1.838 3.898 -1.032
52 H18 H H18 N N N 0 -0.614 -0.184 1.456
53 H19 H H19 N N N 0 -2.795 -0.056 0.326
54 H25 H H25 N N N 0 -4.391 0.177 -0.553
55 H26A H H26A N N N 0 -6.498 1.897 -1.313
56 H26B H H26B N N N 0 -5.775 1.211 -2.787
57 H27A H H27A N N N 0 -7.631 -0.214 -2.068
58 H27B H H27B N N N 0 -6.099 -1.085 -1.819
59 H5 H H5 N N N 0 -6.091 -2.956 0.737
60 H6 H H6 N N N 0 -8.579 -2.116 2.49