Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : B8O

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 54


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C7 C C1 R N N 0 -1.617 -0.879 -0.018
2 C8 C C2 N N N 0 -1.447 -2.075 0.921
3 C6 C C3 N Y N 0 -5.136 0.196 -0.885
4 C10 C C4 N N N 0 0.906 -1.58 1.219
5 N9 N N1 N N N 0 -0.077 -2.593 0.813
6 C5 C C5 N Y N 0 -3.847 -0.303 -0.997
7 C4 C C6 N Y N 0 -3.017 -0.335 0.108
8 C1 C C7 N Y N 0 -5.592 0.661 0.343
9 C3 C C8 N Y N 0 -3.47 0.13 1.328
10 C2 C C9 N Y N 0 -4.754 0.628 1.448
11 C11 C C10 R N N 0 0.806 -0.369 0.29
12 C12 C C11 N N N 0 -0.61 0.21 0.363
13 C14 C C12 N N N 0 0.083 -3.826 1.596
14 C15 C C13 N N N 0 3.073 0.584 0.266
15 C17 C C14 N N N 0 5.243 1.502 0.255
16 C18 C C15 N Y N 0 5.641 0.459 -0.603
17 C19 C C16 N Y N 0 4.693 -0.498 -0.983
18 C22 C C17 N Y N 0 6.64 -1.01 -1.947
19 C23 C C18 N Y N 0 5.357 -1.41 -1.832
20 C26 C C19 N N N 0 -7.342 0.386 -1.75
21 C27 C C20 N N N 0 -7.536 1.514 -0.728
22 C29 C C21 N N N 0 3.515 2.612 1.565
23 N13 N N2 N N N 0 1.773 0.649 0.707
24 N16 N N3 N N N 0 3.959 1.539 0.672
25 N20 N N4 N N N 0 3.428 -0.397 -0.528
26 N21 N N5 N Y N 0 6.832 0.117 -1.207
27 O24 O O1 N N N 0 6.041 2.352 0.613
28 O25 O O2 N N N 0 -5.938 0.228 -1.983
29 O28 O O3 N N N 0 -6.855 1.148 0.478
30 H1 H H1 N N N 0 -1.441 -1.195 -1.046
31 H2 H H2 N N N 0 -1.638 -1.762 1.947
32 H3 H H3 N N N 0 -2.154 -2.858 0.643
33 H4 H H4 N N N 0 0.704 -1.269 2.244
34 H5 H H5 N N N 0 1.909 -2.003 1.158
35 H7 H H7 N N N 0 -3.491 -0.668 -1.95
36 H8 H H8 N N N 0 -2.819 0.104 2.19
37 H9 H H9 N N N 0 -5.105 0.99 2.403
38 H10 H H10 N N N 0 1.021 -0.677 -0.734
39 H11 H H11 N N N 0 -0.698 1.046 -0.33
40 H12 H H12 N N N 0 -0.811 0.553 1.378
41 H13 H H13 N N N 0 -0.607 -4.583 1.225
42 H14 H H14 N N N 0 1.107 -4.187 1.499
43 H15 H H15 N N N 0 -0.132 -3.621 2.645
44 H16 H H16 N N N 0 7.398 -1.508 -2.533
45 H17 H H17 N N N 0 4.917 -2.275 -2.304
46 H18 H H18 N N N 0 -7.756 -0.542 -1.356
47 H19 H H19 N N N 0 -7.843 0.646 -2.683
48 H20 H H20 N N N 0 -7.116 2.441 -1.118
49 H21 H H21 N N N 0 -8.599 1.647 -0.525
50 H22 H H22 N N N 0 4.352 3.276 1.779
51 H23 H H23 N N N 0 2.716 3.177 1.084
52 H24 H H24 N N N 0 3.145 2.181 2.495
53 H25 H H25 N N N 0 1.496 1.369 1.295
54 H26 H H26 N N N 0 7.669 0.6 -1.121