Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : OBY

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 N1 N N1 N N N 0 -4.387 0.838 0.328
2 C1 C C1 N N N 0 -4.21 -0.228 -0.478
3 O1 O O1 N N N 0 -5.124 -0.618 -1.181
4 C2 C C2 N Y N 0 -2.919 -0.917 -0.507
5 S1 S S1 N Y N 0 -1.514 -0.476 0.454
6 C3 C C3 N Y N 0 -0.581 -1.795 -0.241
7 C4 C C4 N Y N 0 -1.352 -2.482 -1.137
8 C5 C C5 N Y N 0 -2.624 -2.004 -1.282
9 C6 C C6 N Y N 0 0.82 -2.111 0.091
10 C7 C C7 N Y N 0 1.178 -3.409 0.425
11 C8 C C8 N Y N 0 2.49 -3.713 0.739
12 C9 C C9 N Y N 0 3.455 -2.73 0.722
13 C10 C C10 N Y N 0 3.126 -1.414 0.39
14 C11 C C11 N Y N 0 1.808 -1.083 0.063
15 S2 S S2 N Y N 0 4.134 0.026 0.289
16 C12 C C12 N Y N 0 2.761 1.014 -0.176
17 C13 C C13 N Y N 0 1.654 0.28 -0.244
18 N2 N N2 N N N 0 2.823 2.38 -0.443
19 C14 C C14 N N N 0 3.999 3.032 -0.351
20 C15 C C15 N N N 0 -5.679 1.527 0.357
21 C16 C C16 N N N 0 -5.664 3.057 0.358
22 O2 O O2 N N N 0 5.003 2.43 -0.036
23 C17 C C17 N N N 0 4.065 4.509 -0.64
24 C18 C C18 N N N 0 -6.041 2.296 1.63
25 H1 H H1 N N N 0 -3.66 1.146 0.891
26 H4 H H4 N N N 0 -0.984 -3.335 -1.687
27 H6 H H6 N N N 0 -3.342 -2.453 -1.953
28 H8 H H8 N N N 0 0.427 -4.186 0.441
29 H9 H H9 N N N 0 2.76 -4.726 0.998
30 H10 H H10 N N N 0 4.477 -2.979 0.969
31 H11 H H11 N N N 0 0.699 0.703 -0.518
32 H12 H H12 N N N 0 2.019 2.861 -0.695
33 H13 H H13 N N N 0 -6.489 1.032 -0.179
34 H14 H H14 N N N 0 -4.692 3.551 0.336
35 H15 H H15 N N N 0 -6.463 3.569 -0.178
36 H16 H H16 N N N 0 3.072 4.873 -0.905
37 H17 H H17 N N N 0 4.422 5.037 0.244
38 H18 H H18 N N N 0 4.75 4.687 -1.469
39 H19 H H19 N N N 0 -7.089 2.306 1.931
40 H20 H H20 N N N 0 -5.318 2.288 2.445