Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : R30

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 O01 O O1 N N N 0 -1.302 -1.105 0.418
2 C02 C C1 N N N 0 -1.276 -0.065 -0.206
3 N03 N N1 N N N 0 -0.127 0.351 -0.775
4 C04 C C2 N Y N 0 1.059 -0.361 -0.56
5 C05 C C3 N Y N 0 1.028 -1.571 0.121
6 C06 C C4 N Y N 0 2.198 -2.274 0.333
7 C07 C C5 N Y N 0 3.404 -1.771 -0.137
8 N08 N N2 N N N 0 4.591 -2.485 0.077
9 C09 C C6 N N N 0 5.745 -1.823 0.292
10 C10 C C7 N N N 0 7.041 -2.585 0.403
11 C11 C C8 N N N 0 8.19 -1.605 0.644
12 O12 O O2 N N N 0 5.742 -0.615 0.396
13 C13 C C9 N Y N 0 3.435 -0.562 -0.819
14 C14 C C10 N Y N 0 2.265 0.139 -1.034
15 C15 C C11 N N N 0 -0.12 1.549 -1.618
16 C16 C C12 N Y N 0 0.203 2.756 -0.775
17 C17 C C13 N Y N 0 1.455 3.137 -0.517
18 S18 S S1 N Y N 0 1.438 4.576 0.493
19 C19 C C14 N Y N 0 -0.321 4.58 0.509
20 C20 C C15 N Y N 0 -0.777 3.555 -0.213
21 C21 C C16 N N N 0 -2.53 0.759 -0.35
22 N22 N N3 N Y N 0 -3.624 0.115 0.382
23 N23 N N4 N Y N 0 -3.976 0.327 1.723
24 N24 N N5 N Y N 0 -4.986 -0.411 2.022
25 C25 C C17 N Y N 0 -5.368 -1.137 0.953
26 C26 C C18 N Y N 0 -4.511 -0.811 -0.113
27 C27 C C19 N Y N 0 -4.685 -1.417 -1.352
28 C28 C C20 N Y N 0 -5.691 -2.325 -1.53
29 C29 C C21 N Y N 0 -6.544 -2.648 -0.482
30 C30 C C22 N Y N 0 -6.389 -2.075 0.746
31 H051 H H1 N N N 0 0.09 -1.962 0.486
32 H061 H H2 N N N 0 2.174 -3.214 0.863
33 H081 H H3 N N N 0 4.581 -3.455 0.071
34 H101 H H4 N N N 0 6.98 -3.286 1.235
35 H102 H H5 N N N 0 7.22 -3.134 -0.522
36 H111 H H6 N N N 0 9.127 -2.156 0.724
37 H112 H H7 N N N 0 8.251 -0.904 -0.188
38 H113 H H8 N N N 0 8.011 -1.056 1.569
39 H131 H H9 N N N 0 4.373 -0.171 -1.183
40 H141 H H10 N N N 0 2.288 1.077 -1.567
41 H151 H H11 N N N 0 0.633 1.439 -2.399
42 H152 H H12 N N N 0 -1.101 1.678 -2.076
43 H171 H H13 N N N 0 2.344 2.637 -0.874
44 H191 H H14 N N N 0 -0.938 5.303 1.022
45 H201 H H15 N N N 0 -1.832 3.362 -0.346
46 H211 H H16 N N N 0 -2.359 1.756 0.056
47 H212 H H17 N N N 0 -2.795 0.836 -1.405
48 H271 H H18 N N N 0 -4.027 -1.171 -2.173
49 H281 H H19 N N N 0 -5.825 -2.794 -2.493
50 H291 H H20 N N N 0 -7.334 -3.367 -0.639
51 H301 H H21 N N N 0 -7.059 -2.333 1.553