Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 443

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 58


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C4 C C4 N N N 0 0.392 -1.916 0.312
2 C8 C C8 N Y N 0 2.997 -1.242 -0.553
3 C10 C C10 N Y N 0 5.1 -1.172 0.595
4 C13 C C13 N Y N 0 6.482 2.226 0.252
5 C15 C C15 N Y N 0 5.492 2.839 -0.516
6 C17 C C17 N Y N 0 4.242 0.8 -0.55
7 C22 C C22 N N N 0 -3.414 -0.808 2.219
8 C24 C C24 N N N 0 -4.135 1.076 0.746
9 C28 C C28 N N N 0 -5.573 3.136 0.463
10 C26 C C26 N N N 0 -1.947 -0.045 0.306
11 O1 O O1 N N N 0 -0.631 -4.083 -0.006
12 C2 C C2 S N N 0 -0.899 -2.679 0.006
13 S5 S S5 N N N 0 1.577 -2.167 -1.037
14 O6 O O6 N N N 0 2.029 -3.514 -1.061
15 O7 O O7 N N N 0 1.128 -1.524 -2.222
16 C9 C C9 N Y N 0 3.992 -1.858 0.205
17 C11 C C11 N Y N 0 5.248 0.177 0.23
18 C12 C C12 N Y N 0 6.373 0.92 0.624
19 CL14 CL CL14 N N N 0 7.874 3.142 0.74
20 C16 C C16 N Y N 0 4.389 2.149 -0.915
21 C18 C C18 N Y N 0 3.108 0.061 -0.93
22 C19 C C19 N N N 0 -1.926 -2.373 1.065
23 O20 O O20 N N N 0 -2.318 -3.252 1.803
24 N21 N N21 N N N 0 -2.411 -1.122 1.191
25 C23 C C23 N N N 0 -4.615 -0.136 1.546
26 C25 C C25 N N N 0 -3.165 0.617 -0.346
27 N27 N N27 N N N 0 -5.285 1.74 0.128
28 C29 C C29 N N N 0 -7.08 3.383 0.335
29 C30 C C30 N N N 0 -7.522 2.984 -1.077
30 N31 N N31 N N N 0 -7.128 1.596 -1.329
31 C32 C C32 N N N 0 -6.054 1.057 -0.734
32 O33 O O33 N N N 0 -5.764 -0.097 -0.986
33 H4 H H4 N N N 0 0.171 -0.853 0.41
34 H4A H H4A N N N 0 0.819 -2.285 1.245
35 H10 H H10 N N N 0 5.863 -1.662 1.182
36 H15 H H15 N N N 0 5.603 3.875 -0.798
37 H22 H H22 N N N 0 -3.735 -1.727 2.708
38 H22A H H22A N N N 0 -2.983 -0.131 2.957
39 H24 H H24 N N N 0 -3.628 1.774 1.412
40 H26 H H26 N N N 0 -1.395 0.694 0.886
41 H26A H H26A N N N 0 -1.299 -0.46 -0.468
42 H28 H H28 N N N 0 -5.256 3.337 1.486
43 H28A H H28A N N N 0 -5.036 3.794 -0.221
44 HO1 H HO1 N N N 0 -0.289 -4.425 0.831
45 H2 H H2 N N N 0 -1.279 -2.373 -0.969
46 H9 H H9 N N N 0 3.881 -2.894 0.487
47 H12 H H12 N N N 0 7.148 0.459 1.218
48 H16 H H16 N N N 0 3.63 2.636 -1.51
49 H18 H H18 N N N 0 2.329 0.525 -1.517
50 H23 H H23 N N N 0 -5.1 -0.846 0.876
51 H23A H H23A N N N 0 -5.324 0.189 2.308
52 H25 H H25 N N N 0 -3.664 -0.099 -0.998
53 H25A H H25A N N N 0 -2.841 1.478 -0.93
54 H29 H H29 N N N 0 -7.614 2.781 1.07
55 H29A H H29A N N N 0 -7.292 4.44 0.5
56 H30 H H30 N N N 0 -8.604 3.076 -1.16
57 H30A H H30A N N N 0 -7.043 3.637 -1.807
58 HN31 H HN31 N N N 0 -7.655 1.056 -1.938