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