Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : RTU

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 41


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C02 C C1 N N N 0 1.928 -2.399 0.093
2 C03 C C2 R N N 0 2.388 -1.548 -1.063
3 C04 C C3 N N N 0 3.814 -1.012 -0.817
4 C05 C C4 N Y N 0 3.622 0.331 -0.145
5 C06 C C5 N Y N 0 4.515 1.111 0.58
6 C11 C C9 N Y N 0 2.326 0.769 -0.337
7 C08 C C6 N Y N 0 4.106 2.325 1.109
8 C09 C C7 N Y N 0 2.809 2.759 0.914
9 C10 C C8 N Y N 0 1.922 1.983 0.193
10 C12 C C10 R N N 0 1.557 -0.25 -1.152
11 C14 C C11 N N N 0 -0.806 0.316 -0.969
12 C15 C C12 N Y N 0 -2.148 0.105 -0.391
13 C16 C C13 N Y N 0 -3.213 0.905 -0.795
14 C17 C C14 N Y N 0 -4.473 0.695 -0.242
15 C18 C C15 N Y N 0 -4.662 -0.319 0.717
16 C20 C C16 N Y N 0 -6.64 0.693 0.389
17 C21 C C17 N Y N 0 -5.783 1.327 -0.425
18 C22 C C18 N Y N 0 -3.582 -1.109 1.108
19 C23 C C19 N Y N 0 -2.35 -0.905 0.561
20 N13 N N1 N N N 0 0.226 -0.459 -0.578
21 N19 N N2 N Y N 0 -5.988 -0.292 1.079
22 O01 O O1 N N N 0 1.132 -3.457 -0.128
23 O07 O O2 N N N 0 5.79 0.683 0.771
24 O24 O O3 N N N 0 -0.631 1.188 -1.798
25 O25 O O4 N N N 0 2.281 -2.133 1.217
26 H031 H H1 N N N 0 2.339 -2.107 -1.997
27 H042 H H2 N N N 0 4.364 -1.688 -0.161
28 H041 H H3 N N N 0 4.341 -0.891 -1.763
29 H081 H H4 N N N 0 4.8 2.931 1.673
30 H091 H H5 N N N 0 2.488 3.704 1.326
31 H101 H H6 N N N 0 0.909 2.324 0.043
32 H121 H H7 N N N 0 1.476 0.078 -2.188
33 H161 H H8 N N N 0 -3.062 1.681 -1.53
34 H201 H H9 N N N 0 -7.69 0.927 0.487
35 H211 H H10 N N N 0 -6.014 2.148 -1.089
36 H221 H H11 N N N 0 -3.722 -1.887 1.843
37 H231 H H12 N N N 0 -1.52 -1.525 0.867
38 H131 H H13 N N N 0 0.086 -1.155 0.083
39 H191 H H14 N N N 0 -6.4 -0.885 1.726
40 H1 H H15 N N N 0 0.863 -3.973 0.644
41 H071 H H16 N N N 0 6.407 0.966 0.082