Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XMJ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 59


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 0.972 0.563 -4.353
2 C2 C C2 N N N 0 0.64 -0.415 -3.522
3 C3 C C3 N Y N 0 1.085 1.441 -6.68
4 S4 S S4 N N N 0 0.921 -0.235 -1.792
5 C5 C C5 N Y N 0 0.737 0.413 -5.804
6 CL6 CL CL6 N N N 0 0.021 -0.046 -10.228
7 O7 O O7 N N N 0 1.656 -1.386 -1.399
8 C8 C C8 N N N 0 -1.952 0.738 0.598
9 O9 O O9 N N N 0 -2.475 1.725 1.072
10 C10 C C10 N N N 0 -1.38 0.825 -0.786
11 N11 N N11 S N N 0 -0.547 -0.359 -1.037
12 C12 C C12 N Y N 0 0.166 -0.758 -6.303
13 C13 C C13 N N N 0 -1.239 -1.603 0.934
14 C14 C C14 N N N 0 -1.068 -1.66 -0.584
15 C15 C C15 N Y N 0 0.863 1.295 -8.034
16 N16 N N16 N N N 0 -1.91 -0.373 1.333
17 C17 C C17 N Y N 0 -0.055 -0.891 -7.658
18 C18 C C18 N Y N 0 0.297 0.13 -8.524
19 O19 O O19 N N N 0 1.339 1.109 -1.606
20 C20 C C20 N N N 0 -2.586 -0.357 2.633
21 C21 C C21 N Y N 0 2.63 -0.489 8.494
22 N22 N N22 N N N 0 -0.238 -0.531 6.202
23 C23 C C23 N Y N 0 0.648 -0.143 7.202
24 C24 C C24 N Y N 0 1.776 -0.908 7.495
25 C25 C C25 N N N 0 -1.296 0.483 6.159
26 C26 C C26 N Y N 0 0.433 1.024 7.935
27 C27 C C27 N N N 0 0.495 -0.45 4.934
28 C28 C C28 N N N 0 -1.606 0.108 3.711
29 C29 C C29 N N N 0 -2.311 0.126 5.071
30 N30 N N30 N Y N 0 2.388 0.619 9.169
31 C31 C C31 N Y N 0 1.331 1.37 8.922
32 C32 C C32 N N N 0 -0.42 -0.858 3.779
33 H1 H H1 N N N 0 1.414 1.47 -3.969
34 H2 H H2 N N N 0 0.198 -1.322 -3.906
35 H3 H H3 N N N 0 1.527 2.35 -6.3
36 H101 H 1H10 N N N 0 -0.773 1.727 -0.874
37 H102 H 2H10 N N N 0 -2.19 0.856 -1.514
38 H12 H H12 N N N 0 -0.104 -1.557 -5.63
39 H131 H 1H13 N N N 0 -1.832 -2.457 1.261
40 H132 H 2H13 N N N 0 -0.258 -1.646 1.408
41 H141 H 1H14 N N N 0 -2.032 -1.854 -1.056
42 H142 H 2H14 N N N 0 -0.364 -2.45 -0.846
43 H15 H H15 N N N 0 1.133 2.09 -8.713
44 H17 H H17 N N N 0 -0.497 -1.797 -8.046
45 H201 H 1H20 N N N 0 -3.434 0.326 2.592
46 H202 H 2H20 N N N 0 -2.939 -1.36 2.871
47 H21 H H21 N N N 0 3.506 -1.075 8.727
48 H24 H H24 N N N 0 1.979 -1.816 6.947
49 H251 H 1H25 N N N 0 -0.857 1.456 5.94
50 H252 H 2H25 N N N 0 -1.799 0.522 7.125
51 H26 H H26 N N N 0 -0.429 1.643 7.738
52 H271 H 1H27 N N N 0 0.84 0.572 4.78
53 H272 H 2H27 N N N 0 1.354 -1.12 4.969
54 H28 H H28 N N N 0 -1.249 1.11 3.472
55 H291 H 1H29 N N N 0 -3.108 0.87 5.059
56 H292 H 2H29 N N N 0 -2.733 -0.857 5.275
57 H31 H H31 N N N 0 1.171 2.27 9.497
58 H321 H 1H32 N N N 0 -0.785 -1.871 3.944
59 H322 H 2H32 N N N 0 0.135 -0.818 2.842