Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BRL

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 44


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 S1 S S1 N N N 0 -1.069 -0.616 4.021
2 O2 O O2 N N N 0 -2.612 -0.429 6.243
3 O4 O O4 N N N 0 1.772 0.669 6.138
4 O13 O O13 N N N 0 0.394 -0.497 -2.144
5 N3 N N3 N N N 0 -0.383 0.153 6.278
6 N16 N N16 N N N 0 1.174 -0.291 -4.871
7 N18 N N18 N Y N 0 -1.094 -0.813 -4.574
8 C2 C C2 N N N 0 -1.525 -0.287 5.717
9 C4 C C4 N N N 0 0.755 0.27 5.614
10 C5 C C5 S N N 0 0.697 -0.129 4.147
11 C6 C C6 N N N 0 1.013 1.056 3.233
12 C7 C C7 N Y N 0 0.847 0.64 1.794
13 C8 C C8 N Y N 0 -0.378 0.784 1.171
14 C9 C C9 N Y N 0 -0.532 0.403 -0.147
15 C10 C C10 N Y N 0 0.544 -0.122 -0.846
16 C11 C C11 N Y N 0 1.771 -0.27 -0.217
17 C12 C C12 N Y N 0 1.922 0.116 1.1
18 C14 C C14 N N N 0 1.662 -0.992 -2.579
19 C15 C C15 N N N 0 1.563 -1.434 -4.041
20 C16 C C16 N N N 0 2.203 0.571 -5.457
21 C17 C C17 N Y N 0 -0.17 -0.026 -5.102
22 C19 C C19 N Y N 0 -2.381 -0.593 -4.764
23 C20 C C20 N Y N 0 -2.812 0.467 -5.536
24 C21 C C21 N Y N 0 -1.874 1.313 -6.113
25 C22 C C22 N Y N 0 -0.532 1.06 -5.891
26 HN3 H HN3 N N N 0 -0.396 0.397 7.217
27 H5 H H5 N N N 0 1.356 -0.972 3.939
28 H61 H 1H6 N N N 0 2.04 1.381 3.402
29 H62 H 2H6 N N N 0 0.331 1.877 3.455
30 H8 H H8 N N N 0 -1.215 1.194 1.716
31 H9 H H9 N N N 0 -1.489 0.516 -0.634
32 H11 H H11 N N N 0 2.61 -0.68 -0.759
33 H12 H H12 N N N 0 2.878 0.004 1.589
34 H141 H 1H14 N N N 0 1.952 -1.843 -1.962
35 H142 H 2H14 N N N 0 2.411 -0.205 -2.487
36 H151 H 1H15 N N N 0 0.814 -2.221 -4.132
37 H152 H 2H15 N N N 0 2.53 -1.812 -4.373
38 H161 H 1H16 N N N 0 3.189 0.209 -5.168
39 H162 H 2H16 N N N 0 2.114 0.555 -6.543
40 H163 H 3H16 N N N 0 2.07 1.591 -5.096
41 H19 H H19 N N N 0 -3.107 -1.253 -4.314
42 H20 H H20 N N N 0 -3.867 0.636 -5.69
43 H21 H H21 N N N 0 -2.185 2.149 -6.721
44 H22 H H22 N N N 0 0.223 1.699 -6.325