Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A95

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 58


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C C C N N N 0 -5.008 0.142 -0.077
2 N N N N N N 0 -4.567 -1.083 0.271
3 O O O N N N 0 -4.229 1.076 -0.131
4 C1 C C1 N Y N 0 -6.423 0.348 -0.398
5 N1 N N1 N N N 0 1.85 -1.306 0.323
6 O1 O O1 N Y N 0 -7.386 -0.597 -0.382
7 C2 C C2 N Y N 0 -8.556 -0.045 -0.728
8 O2 O O2 N N N 0 1.317 -2.782 1.895
9 C3 C C3 N Y N 0 -8.362 1.27 -0.973
10 O3 O O3 N N N 0 2.609 4.725 0.9
11 C4 C C4 N Y N 0 -7.0 1.533 -0.758
12 O4 O O4 N N N 0 5.668 -2.38 -1.862
13 C5 C C5 N Y N 0 -3.206 -1.305 0.466
14 C6 C C6 N Y N 0 -2.782 -2.224 1.422
15 C7 C C7 N Y N 0 -1.437 -2.445 1.616
16 C8 C C8 N Y N 0 -0.498 -1.746 0.853
17 C9 C C9 N Y N 0 -0.927 -0.825 -0.106
18 C10 C C10 N Y N 0 -2.273 -0.611 -0.299
19 C11 C C11 N N N 0 0.945 -1.981 1.06
20 C12 C C12 N N N 0 3.281 -1.539 0.528
21 C13 C C13 N N N 0 4.085 -0.567 -0.338
22 C14 C C14 N Y N 0 3.69 0.849 -0.007
23 C15 C C15 N Y N 0 3.952 1.362 1.25
24 C16 C C16 N Y N 0 3.591 2.66 1.556
25 C17 C C17 N Y N 0 2.966 3.448 0.601
26 C18 C C18 N N N 0 1.969 5.479 -0.132
27 C19 C C19 N Y N 0 2.704 2.931 -0.659
28 C20 C C20 N Y N 0 3.072 1.635 -0.962
29 C21 C C21 N N N 0 3.802 -0.845 -1.818
30 C22 C C22 N N N 0 4.277 -2.259 -2.163
31 C23 C C23 N N N 0 5.987 -2.177 -0.484
32 C24 C C24 N N N 0 5.581 -0.76 -0.071
33 HN H HN N N N 0 -5.199 -1.811 0.387
34 HN1 H HN1 N N N 0 1.553 -0.666 -0.343
35 H2 H H2 N N N 0 -9.5 -0.566 -0.8
36 H3 H H3 N N N 0 -9.114 1.984 -1.272
37 H4 H H4 N N N 0 -6.504 2.487 -0.861
38 H6 H H6 N N N 0 -3.508 -2.763 2.011
39 H7 H H7 N N N 0 -1.108 -3.158 2.359
40 H9 H H9 N N N 0 -0.203 -0.283 -0.697
41 H10 H H10 N N N 0 -2.605 0.098 -1.043
42 H12 H H12 N N N 0 3.529 -1.379 1.578
43 H12A H H12A N N N 0 3.527 -2.563 0.249
44 H15 H H15 N N N 0 4.439 0.748 1.993
45 H16 H H16 N N N 0 3.795 3.06 2.538
46 H18 H H18 N N N 0 2.634 5.554 -0.992
47 H18A H H18A N N N 0 1.047 4.979 -0.428
48 H18B H H18B N N N 0 1.738 6.478 0.238
49 H19 H H19 N N N 0 2.217 3.543 -1.404
50 H20 H H20 N N N 0 2.873 1.233 -1.945
51 H21 H H21 N N N 0 2.731 -0.764 -2.005
52 H21A H H21A N N N 0 4.336 -0.121 -2.433
53 H22 H H22 N N N 0 4.116 -2.447 -3.225
54 H22A H H22A N N N 0 3.714 -2.985 -1.576
55 H23 H H23 N N N 0 5.446 -2.902 0.125
56 H23A H H23A N N N 0 7.059 -2.306 -0.336
57 H24 H H24 N N N 0 6.151 -0.034 -0.651
58 H24A H H24A N N N 0 5.783 -0.618 0.99