Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 0UP

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 65


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 2.088 2.307 2.432
2 C10 C C10 N Y N 0 -4.874 0.993 -1.476
3 C11 C C11 N Y N 0 -4.86 0.023 -0.479
4 C12 C C12 N Y N 0 1.717 3.251 0.259
5 C13 C C13 N N N 0 0.967 -0.881 -1.451
6 C14 C C14 N N N 0 1.388 -1.895 0.792
7 C15 C C15 N N N 0 2.879 -2.459 -1.133
8 C16 C C16 N N N 0 0.107 0.184 -0.767
9 C17 C C17 S N N 0 0.516 -0.8 1.41
10 C18 C C18 R N N 0 2.054 -1.352 -0.478
11 C19 C C19 N N N 0 -0.166 -1.34 2.668
12 C2 C C2 N Y N 0 -2.672 1.684 -0.828
13 C20 C C20 N N N 0 -6.103 -1.332 2.039
14 C21 C C21 N N N 0 -6.773 -2.982 0.287
15 C22 C C22 N N N 0 5.331 -3.323 -0.646
16 C23 C C23 N N N 0 -1.448 0.569 1.048
17 C24 C C24 N N N 0 -5.795 -1.858 0.636
18 C3 C C3 N Y N 0 2.488 1.12 1.852
19 C4 C C4 N Y N 0 -3.777 1.822 -1.647
20 C5 C C5 N Y N 0 1.701 3.371 1.638
21 C6 C C6 N Y N 0 -3.745 -0.118 0.331
22 C7 C C7 N Y N 0 2.112 2.062 -0.328
23 C8 C C8 N Y N 0 -2.656 0.716 0.158
24 C9 C C9 N Y N 0 2.501 0.993 0.468
25 F32 F F32 N N N 0 1.337 4.292 -0.514
26 H1 H H1 N N N 0 2.074 2.404 3.508
27 H10 H H10 N N N 0 2.155 -2.195 1.506
28 H11 H H11 N N N 0 0.769 -2.756 0.539
29 H12 H H12 N N N 0 2.53 -3.429 -0.781
30 H13 H H13 N N N 0 2.766 -2.403 -2.216
31 H14 H H14 N N N 0 0.731 1.035 -0.494
32 H15 H H15 N N N 0 -0.676 0.513 -1.451
33 H16 H H16 N N N 0 1.138 0.056 1.673
34 H17 H H17 N N N 0 0.584 -1.773 3.33
35 H18 H H18 N N N 0 -0.679 -0.527 3.182
36 H19 H H19 N N N 0 -0.889 -2.106 2.389
37 H2 H H2 N N N 0 -1.818 2.331 -0.963
38 H20 H H20 N N N 0 -5.406 -0.531 2.288
39 H21 H H21 N N N 0 -7.123 -0.949 2.068
40 H22 H H22 N N N 0 -5.998 -2.142 2.762
41 H23 H H23 N N N 0 -7.793 -2.599 0.316
42 H24 H H24 N N N 0 -6.554 -3.357 -0.713
43 H25 H H25 N N N 0 -6.668 -3.792 1.01
44 H26 H H26 N N N 0 5.822 -3.472 -1.608
45 H27 H H27 N N N 0 6.068 -3.008 0.093
46 H28 H H28 N N N 0 4.87 -4.257 -0.325
47 H29 H H29 N N N 0 -0.963 1.538 1.164
48 H3 H H3 N N N 0 2.791 0.29 2.473
49 H30 H H30 N N N 0 -1.759 0.199 2.025
50 H31 H H31 N N N 0 -4.775 -2.242 0.607
51 H33 H H33 N N N 0 -5.929 0.589 -3.082
52 H4 H H4 N N N 0 -3.786 2.577 -2.42
53 H5 H H5 N N N 0 1.384 4.297 2.095
54 H6 H H6 N N N 0 -3.726 -0.88 1.096
55 H7 H H7 N N N 0 2.125 1.968 -1.404
56 H8 H H8 N N N 0 0.341 -1.727 -1.735
57 H9 H H9 N N N 0 1.433 -0.458 -2.341
58 N25 N N25 N N N 0 2.906 -0.207 -0.121
59 N26 N N26 N N N 0 4.3 -2.29 -0.779
60 N27 N N27 N N N 0 -0.506 -0.381 0.442
61 O28 O O28 N N N 0 4.7 -0.07 -1.844
62 O29 O O29 N N N 0 5.29 -0.437 0.567
63 O30 O O30 N N N 0 -5.963 1.129 -2.28
64 O31 O O31 N N N 0 -5.932 -0.797 -0.311
65 S33 S S33 N N N 0 4.455 -0.639 -0.565