Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 0MS

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 BR2 BR BR2 N N N 0 6.399 0.89 -0.129
2 C1 C C1 N Y N 0 -2.424 2.609 2.462
3 C10 C C10 N Y N 0 -2.83 2.591 -0.281
4 C11 C C11 N Y N 0 4.707 0.045 -0.098
5 C12 C C12 N Y N 0 -4.107 0.456 -0.118
6 C13 C C13 N Y N 0 -4.886 -1.547 -0.711
7 C14 C C14 N Y N 0 2.239 -1.103 -0.021
8 C15 C C15 N N N 0 -2.983 -1.678 1.002
9 C16 C C16 N N N 0 0.0040 -0.877 -0.734
10 C17 C C17 N N N 0 0.534 -1.864 1.417
11 C18 C C18 N N N 0 -1.328 -1.63 -0.808
12 C19 C C19 N N N 0 -0.777 -2.658 1.431
13 C2 C C2 N Y N 0 -1.918 3.629 1.676
14 C20 C C20 N N N 0 3.084 -3.21 -1.105
15 C21 C C21 N N N 0 -5.176 -3.015 -0.893
16 C3 C C3 N Y N 0 -3.134 1.576 1.885
17 C4 C C4 N Y N 0 -2.12 3.62 0.308
18 C5 C C5 N Y N 0 4.554 -1.237 -0.609
19 C6 C C6 N Y N 0 3.611 0.697 0.434
20 C7 C C7 N Y N 0 -3.346 1.563 0.508
21 C8 C C8 N Y N 0 -3.938 -0.994 0.112
22 C9 C C9 N Y N 0 3.299 -1.819 -0.567
23 CL2 CL CL2 N N N 0 -3.083 2.581 -1.998
24 H1 H H1 N N N 0 -2.26 2.619 3.53
25 H10 H H10 N N N 0 1.297 -2.412 1.969
26 H11 H H11 N N N 0 -2.083 -0.995 -1.271
27 H12 H H12 N N N 0 -1.203 -2.539 -1.396
28 H13 H H13 N N N 0 -0.597 -3.668 1.061
29 H14 H H14 N N N 0 -1.167 -2.703 2.448
30 H15 H H15 N N N 0 3.147 -3.929 -0.288
31 H16 H H16 N N N 0 2.1 -3.272 -1.569
32 H17 H H17 N N N 0 3.85 -3.435 -1.847
33 H18 H H18 N N N 0 -5.933 -3.327 -0.174
34 H19 H H19 N N N 0 -5.542 -3.19 -1.905
35 H2 H H2 N N N 0 -1.363 4.435 2.133
36 H20 H H20 N N N 0 -4.264 -3.589 -0.732
37 H3 H H3 N N N 0 -3.525 0.779 2.5
38 H4 H H4 N N N 0 -1.723 4.419 -0.3
39 H5 H H5 N N N 0 5.395 -1.77 -1.027
40 H6 H H6 N N N 0 3.725 1.695 0.829
41 H7 H H7 N N N 0 0.383 -0.709 -1.742
42 H8 H H8 N N N 0 -0.147 0.082 -0.238
43 H9 H H9 N N N 0 0.375 -0.892 1.883
44 N22 N N22 N Y N 0 2.424 0.12 0.452
45 N23 N N23 N Y N 0 -5.075 0.551 -0.994
46 N24 N N24 N N N 0 0.973 -1.676 0.028
47 N25 N N25 N N N 0 -1.745 -1.977 0.56
48 O26 O O26 N N N 0 -3.311 -1.972 2.135
49 O27 O O27 N Y N 0 -5.501 -0.53 -1.32