Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A50

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 62


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C12 C C1 N Y N 0 4.065 1.095 -1.008
2 C13 C C2 N N N 0 -3.016 -0.595 0.282
3 C14 C C3 N N N 0 -3.55 -1.462 -0.861
4 C15 C C4 N Y N 0 -6.453 -4.128 0.666
5 C17 C C5 N Y N 0 -5.851 -2.434 -0.897
6 C18 C C6 N Y N 0 -4.592 -2.411 -0.327
7 C19 C C7 N Y N 0 -5.176 -4.046 1.187
8 C20 C C8 N N N 0 6.696 0.137 1.253
9 N1 N N1 N Y N 0 -4.295 -3.203 0.684
10 C5 C C9 N Y N 0 -0.637 0.023 -0.172
11 C6 C C10 N Y N 0 0.326 0.902 -0.666
12 C7 C C11 N Y N 0 4.451 -0.109 -0.446
13 C9 C C12 N Y N 0 2.159 -0.662 -0.023
14 O2 O O1 N N N 0 6.758 0.202 -1.413
15 S1 S S1 N N N 0 6.16 -0.524 -0.349
16 O1 O O2 N N N 0 6.175 -1.945 -0.332
17 C21 C C13 N N N 0 8.182 -0.164 1.458
18 O3 O O3 N N N 0 8.604 0.357 2.72
19 C11 C C14 N Y N 0 2.727 1.428 -1.082
20 C10 C C15 N Y N 0 1.765 0.549 -0.589
21 C8 C C16 N Y N 0 3.499 -0.987 0.04
22 C1 C C17 N Y N 0 -0.068 2.112 -1.232
23 C23 C C18 N Y N 0 -1.408 2.435 -1.301
24 C3 C C19 N Y N 0 -2.36 1.559 -0.81
25 C24 C C20 N N N 0 -3.822 1.917 -0.888
26 C25 C C21 N N N 0 -4.261 2.56 0.429
27 C26 C C22 N N N 0 -5.745 2.923 0.349
28 C27 C C23 N N N 0 -6.184 3.566 1.666
29 C28 C C24 N N N 0 -7.668 3.929 1.586
30 C4 C C25 N Y N 0 -1.974 0.354 -0.252
31 C16 C C26 N Y N 0 -6.802 -3.311 -0.398
32 H1 H H1 N N N 0 4.812 1.777 -1.387
33 H2 H H2 N N N 0 -3.836 -0.026 0.72
34 H3 H H3 N N N 0 -2.57 -1.234 1.044
35 H4 H H4 N N N 0 -3.997 -0.823 -1.623
36 H5 H H5 N N N 0 -2.73 -2.031 -1.298
37 H6 H H6 N N N 0 -7.169 -4.823 1.079
38 H7 H H7 N N N 0 -6.088 -1.782 -1.725
39 H8 H H8 N N N 0 -4.896 -4.679 2.016
40 H9 H H9 N N N 0 6.537 1.215 1.273
41 H10 H H10 N N N 0 6.118 -0.33 2.051
42 H11 H H11 N N N 0 -0.336 -0.916 0.267
43 H12 H H12 N N N 0 1.417 -1.348 0.357
44 H13 H H13 N N N 0 8.34 -1.242 1.438
45 H14 H H14 N N N 0 8.76 0.303 0.66
46 H15 H H15 N N N 0 9.538 0.202 2.917
47 H16 H H16 N N N 0 2.428 2.368 -1.521
48 H17 H H17 N N N 0 3.806 -1.926 0.478
49 H18 H H18 N N N 0 0.673 2.797 -1.616
50 H19 H H19 N N N 0 -1.715 3.373 -1.74
51 H20 H H20 N N N 0 -3.98 2.619 -1.706
52 H21 H H21 N N N 0 -4.407 1.015 -1.065
53 H22 H H22 N N N 0 -4.102 1.857 1.247
54 H23 H H23 N N N 0 -3.675 3.462 0.606
55 H24 H H24 N N N 0 -5.904 3.626 -0.469
56 H25 H H25 N N N 0 -6.331 2.021 0.172
57 H26 H H26 N N N 0 -6.025 2.863 2.484
58 H27 H H27 N N N 0 -5.598 4.468 1.843
59 H28 H H28 N N N 0 -7.827 4.632 0.768
60 H29 H H29 N N N 0 -8.254 3.027 1.409
61 H30 H H30 N N N 0 -7.981 4.387 2.525
62 H31 H H31 N N N 0 -7.792 -3.356 -0.829