Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : MOI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 40


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 2.226 1.347 0.486
2 C2 C C2 N N N 0 0.894 1.389 -1.697
3 C3 C C3 N Y N 0 1.192 0.901 -0.317
4 C4 C C4 N Y N 0 0.379 -0.056 0.238
5 C5 C C5 S N N 0 -0.792 -0.742 -0.417
6 C6 C C6 R N N 0 -1.371 0.21 -1.436
7 C7 C C7 N N N 0 -0.27 -1.98 -1.152
8 C8 C C8 N N N 0 0.799 -1.49 -2.14
9 C9 C C9 N N N 0 1.361 -0.069 -3.928
10 C10 C C10 N Y N 0 2.37 0.852 1.773
11 C11 C C11 N Y N 0 1.503 -0.08 2.339
12 C12 C C12 N Y N 0 0.451 -0.536 1.539
13 C13 C C13 R N N 0 -1.636 -1.073 0.806
14 C14 C C14 S N N 0 -2.281 0.194 1.38
15 C15 C C15 N N N 0 -2.533 1.265 0.421
16 C16 C C16 N N N 0 -2.135 1.317 -0.81
17 C17 C C17 R N N 0 -0.251 0.65 -2.366
18 N1 N N1 N N N 0 0.244 -0.527 -3.091
19 O1 O O1 N N N 0 1.673 -0.526 3.613
20 O2 O O2 N N N 0 -1.375 0.68 2.372
21 O3 O O3 N N N 0 -0.566 -1.398 1.768
22 H1 H H1 N N N 0 2.923 2.082 0.11
23 H21 H 1H2 N N N 0 0.645 2.449 -1.646
24 H22 H 2H2 N N N 0 1.788 1.272 -2.31
25 H6 H H6 N N N 0 -2.076 -0.363 -2.039
26 H71 H 1H7 N N N 0 -1.084 -2.463 -1.694
27 H72 H 2H7 N N N 0 0.17 -2.678 -0.441
28 H81 H 1H8 N N N 0 1.197 -2.344 -2.688
29 H82 H 2H8 N N N 0 1.608 -1.016 -1.584
30 H91 H 1H9 N N N 0 2.226 0.139 -3.297
31 H92 H 2H9 N N N 0 1.617 -0.844 -4.65
32 H93 H 3H9 N N N 0 1.07 0.838 -4.457
33 H10 H H10 N N N 0 3.197 1.209 2.368
34 H13 H H13 N N N 0 -2.346 -1.884 0.641
35 H14 H H14 N N N 0 -3.222 -0.056 1.87
36 H15 H H15 N N N 0 -3.13 2.094 0.773
37 H16 H H16 N N N 0 -2.366 2.192 -1.399
38 H17 H H17 N N N 0 -0.696 1.323 -3.099
39 HO1 H HO1 N N N 0 2.244 -1.305 3.562
40 HO2 H HO2 N N N 0 -1.803 1.437 2.795