Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : R18

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 45


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 1.635 0.194 -2.586
2 C2 C C2 N N N 0 1.544 -0.566 -3.904
3 C3 C C3 N N N 0 0.3 -0.151 -4.647
4 C4 C C4 N N N 0 -0.887 0.071 -3.945
5 C5 C C5 N N N 0 -0.893 0.154 -2.583
6 C6 C C6 N N N 0 -2.217 0.246 -1.866
7 C7 C C7 N N N 0 -2.091 -0.456 -0.509
8 C8 C C8 S N N 0 -0.974 0.221 0.277
9 C9 C C9 N N N 0 0.321 0.145 -0.501
10 C10 C C10 N N N 0 0.31 0.169 -1.863
11 C11 C C11 N N N 0 1.563 -0.003 0.172
12 C12 C C12 N N N 0 1.667 0.063 1.511
13 C13 C C13 S N N 0 0.427 0.305 2.301
14 C14 C C14 S N N 0 -0.732 -0.468 1.605
15 C15 C C15 N N N 0 -1.85 -0.337 2.645
16 C16 C C16 N N N 0 -1.105 -0.573 3.988
17 C17 C C17 S N N 0 0.378 -0.21 3.733
18 C18 C C18 N N N 0 0.084 1.796 2.273
19 C27 C C27 N N N 0 1.26 -1.452 3.879
20 O83 O O83 N N N 0 0.33 -0.01 -5.854
21 O97 O O97 N N N 0 0.803 0.807 4.641
22 H12A H 2H1 N N N 0 2.396 -0.267 -1.956
23 H11A H 1H1 N N N 0 1.916 1.228 -2.786
24 H22 H 2H2 N N N 0 1.506 -1.636 -3.703
25 H21 H 1H2 N N N 0 2.42 -0.343 -4.513
26 H4 H H4 N N N 0 -1.814 0.179 -4.488
27 H62 H 2H6 N N N 0 -2.99 -0.241 -2.46
28 H61 H 1H6 N N N 0 -2.478 1.293 -1.712
29 H72 H 2H7 N N N 0 -1.848 -1.508 -0.66
30 H71 H 1H7 N N N 0 -3.03 -0.371 0.038
31 H8 H H8 N N N 0 -1.233 1.265 0.451
32 H11 H H11 N N N 0 2.455 -0.175 -0.411
33 H12 H H12 N N N 0 2.619 -0.067 2.003
34 H14 H H14 N N N 0 -0.466 -1.514 1.454
35 H152 H 2H15 N N N 0 -2.614 -1.099 2.488
36 H151 H 1H15 N N N 0 -2.288 0.66 2.617
37 H162 H 2H16 N N N 0 -1.19 -1.618 4.284
38 H161 H 1H16 N N N 0 -1.52 0.07 4.764
39 H183 H 3H18 N N N 0 0.047 2.142 1.24
40 H182 H 2H18 N N N 0 -0.885 1.954 2.744
41 H181 H 1H18 N N N 0 0.847 2.354 2.817
42 H273 H 3H27 N N N 0 1.197 -1.824 4.902
43 H272 H 2H27 N N N 0 0.918 -2.224 3.19
44 H271 H 1H27 N N N 0 2.294 -1.193 3.65
45 H97 H H97 N N N 0 0.733 0.435 5.531