Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BD3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 62


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 -1.249 -2.445 -0.202
2 C2 C C2 N Y N 0 -1.463 -3.281 -1.283
3 C3 C C3 N Y N 0 0.033 -2.205 0.245
4 C4 C C4 N Y N 0 -0.394 -3.887 -1.92
5 C5 C C5 N Y N 0 1.117 -2.813 -0.392
6 C6 C C6 N Y N 0 0.893 -3.661 -1.479
7 C7 C C7 N Y N 0 2.493 -2.561 0.081
8 C12 C C12 N N N 0 6.07 -2.865 0.098
9 N13 N N13 N N N 0 6.95 -2.324 0.881
10 C15 C C15 S N N 0 -2.713 -0.443 -0.182
11 C17 C C17 N N N 0 -1.358 1.474 -0.831
12 C18 C C18 N Y N 0 -0.16 2.317 -0.682
13 N22 N N22 N N N 0 -5.128 -0.507 0.348
14 C23 C C23 N N N 0 -6.338 0.075 0.935
15 C24 C C24 N N N 0 -7.501 -0.857 0.716
16 C30 C C30 N N N 0 -0.413 3.691 -2.771
17 C31 C C31 N N N 0 2.924 3.603 0.859
18 C34 C C34 N N N 0 3.991 2.522 0.671
19 C32 C C32 N N N 0 2.539 3.687 2.337
20 C33 C C33 N N N 0 3.48 4.952 0.399
21 N25 N N25 N N N 0 -8.195 -1.259 1.713
22 C20 C C20 N N N 0 -3.957 0.155 0.423
23 O21 O O21 N N N 0 -3.904 1.233 0.976
24 N16 N N16 N N N 0 -1.582 0.463 0.031
25 O19 O O19 N N N 0 -2.145 1.691 -1.732
26 C29 C C29 N Y N 0 0.765 2.27 0.347
27 C28 C C28 N Y N 0 1.707 3.255 0.041
28 N27 N N27 N Y N 0 1.346 3.822 -1.081
29 N26 N N26 N Y N 0 0.264 3.297 -1.533
30 C14 C C14 N N N 0 -2.42 -1.789 0.484
31 O11 O O11 N Y N 0 3.622 -3.075 -0.442
32 C10 C C10 N Y N 0 4.641 -2.583 0.294
33 N9 N N9 N Y N 0 4.121 -1.805 1.219
34 N8 N N8 N Y N 0 2.841 -1.787 1.089
35 H2 H H2 N N N 0 -2.469 -3.463 -1.632
36 H3 H H3 N N N 0 0.199 -1.548 1.087
37 H4 H H4 N N N 0 -0.568 -4.539 -2.763
38 H6 H H6 N N N 0 1.727 -4.135 -1.976
39 H12 H H12 N N N 0 6.387 -3.522 -0.698
40 HN13 H HN13 N N N 0 6.666 -1.733 1.596
41 H15 H H15 N N N 0 -2.864 -0.592 -1.251
42 HN22 H HN22 N N N 0 -5.171 -1.369 -0.095
43 H23 H H23 N N N 0 -6.187 0.224 2.004
44 H23A H H23A N N N 0 -6.547 1.034 0.461
45 H24 H H24 N N N 0 -7.75 -1.186 -0.282
46 H30 H H30 N N N 0 -1.082 4.528 -2.568
47 H30A H H30A N N N 0 0.329 3.991 -3.511
48 H32A H H32A N N N 0 1.779 4.457 2.471
49 H30B H H30B N N N 0 -0.99 2.849 -3.154
50 H32 H H32 N N N 0 3.419 3.938 2.929
51 H32B H H32B N N N 0 2.143 2.726 2.665
52 H33 H H33 N N N 0 3.755 4.892 -0.654
53 H33A H H33A N N N 0 2.72 5.722 0.533
54 H33B H H33B N N N 0 4.36 5.203 0.991
55 H34 H H34 N N N 0 3.595 1.56 0.999
56 H34A H H34A N N N 0 4.266 2.461 -0.382
57 H34B H H34B N N N 0 4.871 2.773 1.263
58 HN25 H HN25 N N N 0 -8.944 -1.859 1.572
59 HN16 H HN16 N N N 0 -0.994 0.335 0.792
60 H29 H H29 N N N 0 0.759 1.613 1.204
61 H14 H H14 N N N 0 -3.296 -2.433 0.403
62 H14A H H14A N N N 0 -2.182 -1.631 1.536