Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 99R

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 46


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N Y N 0 1.66 2.512 -1.024
2 C20 C C2 N N N 0 -3.227 -1.065 1.46
3 C21 C C3 N N N 0 -2.888 0.065 2.437
4 C22 C C4 N N N 0 -3.592 1.349 1.991
5 C24 C C5 N N N 0 -3.438 0.635 -0.4
6 C01 C C6 N Y N 0 1.64 0.271 -0.247
7 C02 C C7 N Y N 0 2.442 -0.68 0.376
8 N03 N N1 N N N 0 3.676 -0.083 0.602
9 C04 C C8 N N N 0 3.664 1.205 0.165
10 C05 C C9 N Y N 0 0.319 0.069 -0.646
11 C06 C C10 N Y N 0 -0.238 -1.196 -0.396
12 C07 C C11 N Y N 0 0.539 -2.141 0.217
13 C08 C C12 N Y N 0 1.859 -1.913 0.605
14 C09 C C13 N Y N 0 2.341 1.475 -0.412
15 C11 C C14 N Y N 0 0.34 2.326 -1.434
16 C12 C C15 N Y N 0 -0.338 1.148 -1.263
17 O13 O O1 N N N 0 4.592 1.989 0.223
18 C14 C C16 N N N 0 4.819 -0.738 1.242
19 S15 S S1 N N N 0 -1.899 -1.557 -0.859
20 O16 O O2 N N N 0 -2.06 -1.074 -2.186
21 O17 O O3 N N N 0 -2.134 -2.909 -0.49
22 N18 N N2 N N N 0 -2.886 -0.633 0.097
23 C19 C C17 N N N 0 5.675 -1.424 0.176
24 C23 C C18 S N N 0 -3.094 1.748 0.6
25 N25 N N3 N N N 0 -3.746 2.997 0.185
26 H101 H H1 N N N 0 2.147 3.464 -1.179
27 H202 H H2 N N N 0 -2.651 -1.954 1.716
28 H201 H H3 N N N 0 -4.292 -1.29 1.516
29 H211 H H4 N N N 0 -3.226 -0.206 3.438
30 H212 H H5 N N N 0 -1.81 0.226 2.448
31 H222 H H6 N N N 0 -4.668 1.18 1.957
32 H221 H H7 N N N 0 -3.372 2.148 2.699
33 H241 H H8 N N N 0 -3.001 0.867 -1.372
34 H242 H H9 N N N 0 -4.52 0.55 -0.497
35 H071 H H10 N N N 0 0.109 -3.113 0.409
36 H081 H H11 N N N 0 2.424 -2.698 1.084
37 H111 H H12 N N N 0 -0.172 3.15 -1.909
38 H121 H H13 N N N 0 -1.36 1.05 -1.597
39 H141 H H14 N N N 0 5.418 0.006 1.765
40 H142 H H15 N N N 0 4.46 -1.482 1.953
41 H192 H H16 N N N 0 6.526 -1.912 0.651
42 H191 H H17 N N N 0 5.076 -2.169 -0.348
43 H193 H H18 N N N 0 6.035 -0.681 -0.536
44 H231 H H19 N N N 0 -2.014 1.893 0.628
45 H251 H H20 N N N 0 -3.539 3.745 0.83
46 H252 H H21 N N N 0 -3.483 3.248 -0.756