Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XU2

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


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 -2.471 2.805 -1.158
2 C10 C C10 N Y N 0 -3.549 -3.413 0.065
3 C11 C C11 N Y N 0 -2.7 -2.884 -0.886
4 C12 C C12 N Y N 0 -2.595 -1.499 -1.007
5 C13 C C13 N Y N 0 -0.445 -0.576 -1.602
6 C14 C C14 N Y N 0 0.05 -0.904 -0.345
7 C15 C C15 N Y N 0 1.341 -0.559 -0.0010
8 C16 C C16 N Y N 0 2.146 0.115 -0.91
9 C17 C C17 N Y N 0 1.654 0.438 -2.167
10 C18 C C18 N Y N 0 0.363 0.094 -2.513
11 C19 C C19 N N N 0 4.185 -0.352 0.227
12 C2 C C2 N Y N 0 -2.491 1.426 -1.132
13 C20 C C20 N Y N 0 5.599 -0.033 0.514
14 C21 C C21 N Y N 0 6.357 -0.877 1.328
15 C22 C C22 N Y N 0 7.676 -0.574 1.592
16 C23 C C23 N Y N 0 8.25 0.563 1.051
17 C24 C C24 N Y N 0 7.505 1.404 0.244
18 C25 C C25 N Y N 0 6.185 1.11 -0.033
19 C3 C C3 N Y N 0 -3.306 0.767 -0.216
20 C4 C C4 N Y N 0 -3.365 -0.702 -0.146
21 C5 C C5 N Y N 0 -3.257 3.539 -0.28
22 C6 C C6 N Y N 0 -4.071 2.905 0.633
23 C7 C C7 N Y N 0 -4.105 1.512 0.676
24 C8 C C8 N N N 0 -4.957 0.792 1.632
25 C9 C C9 N Y N 0 -4.205 -1.315 0.795
26 H1 H H1 N N N 0 -4.679 3.484 1.312
27 H10 H H10 N N N 0 1.726 -0.814 0.976
28 H11 H H11 N N N 0 -0.02 0.345 -3.491
29 H12 H H12 N N N 0 2.282 0.959 -2.876
30 H13 H H13 N N N 0 3.839 1.296 -0.883
31 H14 H H14 N N N 0 5.91 -1.765 1.751
32 H15 H H15 N N N 0 8.263 -1.226 2.222
33 H16 H H16 N N N 0 9.283 0.796 1.261
34 H17 H H17 N N N 0 7.958 2.29 -0.175
35 H18 H H18 N N N 0 5.606 1.764 -0.667
36 H2 H H2 N N N 0 -3.23 4.618 -0.314
37 H3 H H3 N N N 0 -1.839 3.318 -1.867
38 H4 H H4 N N N 0 -1.878 0.861 -1.818
39 H5 H H5 N N N 0 -5.538 -1.004 2.3
40 H6 H H6 N N N 0 -3.631 -4.486 0.159
41 H7 H H7 N N N 0 -2.124 -3.534 -1.528
42 H8 H H8 N N N 0 -2.073 -0.767 -2.853
43 H9 H H9 N N N 0 -0.576 -1.428 0.361
44 N1 N N1 N N N 0 -4.969 -0.553 1.657
45 N2 N N2 N Y N 0 -4.261 -2.641 0.861
46 N3 N N3 N N N 0 -1.754 -0.925 -1.951
47 N4 N N4 N N N 0 3.456 0.465 -0.559
48 O12 O O12 N N N 0 -5.654 1.416 2.411
49 O38 O O38 N N N 0 3.678 -1.35 0.7