Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XX5

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 51


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O1 O O1 N N N 0 4.684 -0.667 5.064
2 C2 C C2 N N N 0 3.966 -1.504 5.6
3 O3 O O3 N N N 0 4.287 -2.082 6.783
4 C4 C C4 S N N 0 2.683 -2.023 4.972
5 C5 C C5 N N N 0 2.897 -3.291 4.132
6 C6 C C6 N N N 0 1.659 -3.925 3.459
7 C7 C C7 N N N 0 0.635 -4.299 4.538
8 C8 C C8 N N N 0 0.994 -3.028 2.418
9 N9 N N9 N N N 0 1.953 -1.01 4.255
10 C10 C C10 S N N 0 1.559 0.092 5.132
11 C11 C C11 N N N 0 0.696 -0.405 6.283
12 O12 O O12 N N N 0 1.251 -0.267 7.511
13 O13 O O13 N N N 0 -0.414 -0.901 6.119
14 C14 C C14 N N N 0 0.813 1.182 4.351
15 C15 C C15 N Y N 0 0.845 2.525 5.038
16 C16 C C16 N Y N 0 -0.004 3.071 5.935
17 N17 N N17 N Y N 0 0.427 4.326 6.287
18 C18 C C18 N Y N 0 1.529 4.508 5.593
19 N19 N N19 N Y N 0 1.821 3.425 4.812
20 C20 C C20 N N N 0 2.959 3.305 3.931
21 C21 C C21 N Y N 0 2.641 3.811 2.551
22 C22 C C22 N Y N 0 1.961 5.012 2.403
23 C23 C C23 N Y N 0 1.667 5.483 1.123
24 CL24 CL CL24 N N N 0 0.824 6.97 0.926
25 C25 C C25 N Y N 0 2.056 4.748 0.003
26 C26 C C26 N Y N 0 3.033 3.072 1.443
27 C27 C C27 N Y N 0 2.739 3.542 0.163
28 CL28 CL CL28 N N N 0 3.221 2.636 -1.218
29 HC4 H HC4 N N N 0 2.028 -2.279 5.815
30 HC51 H 1HC5 N N N 0 3.607 -3.037 3.332
31 HC52 H 2HC5 N N N 0 3.399 -4.048 4.751
32 HC6 H HC6 N N N 0 1.957 -4.856 2.963
33 HC71 H 1HC7 N N N 0 1.075 -4.978 5.275
34 HC72 H 2HC7 N N N 0 0.273 -3.41 5.067
35 HC73 H 3HC7 N N N 0 -0.23 -4.806 4.096
36 HC81 H 1HC8 N N N 0 0.803 -2.026 2.817
37 HC82 H 2HC8 N N N 0 1.615 -2.937 1.522
38 HC83 H 3HC8 N N N 0 0.036 -3.448 2.093
39 HN9 H HN9 N N N 0 2.531 -0.63 3.497
40 H10 H H10 N N N 0 2.485 0.479 5.572
41 H12 H H12 N N N 0 0.697 -0.593 8.252
42 H141 H 1H14 N N N 0 1.249 1.301 3.35
43 H142 H 2H14 N N N 0 -0.228 0.878 4.178
44 H16 H H16 N N N 0 -0.905 2.651 6.359
45 H18 H H18 N N N 0 2.149 5.393 5.615
46 H201 H 1H20 N N N 0 3.264 2.251 3.906
47 H202 H 2H20 N N N 0 3.795 3.86 4.374
48 H22 H H22 N N N 0 1.66 5.582 3.279
49 H25 H H25 N N N 0 1.827 5.115 -0.995
50 H26 H H26 N N N 0 3.565 2.132 1.573
51 HO1 H HO1 N N N 0 5.133 -1.782 7.176