Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 7UP

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 44


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N2 N N2 N N N 0 8.049 -1.542 -0.022
2 C1 C C1 N N N 0 7.336 -0.363 -0.003
3 N1 N N1 N N N 0 7.964 0.778 0.017
4 C2 C C2 N Y N 0 5.857 -0.393 -0.004
5 C11 C C11 N Y N 0 5.145 0.795 0.009
6 C10 C C10 N Y N 0 3.744 0.761 0.007
7 C5 C C5 N Y N 0 3.076 -0.491 -0.009
8 C4 C C4 N Y N 0 3.828 -1.681 -0.023
9 C3 C C3 N Y N 0 5.185 -1.627 -0.026
10 C9 C C9 N Y N 0 2.993 1.953 0.022
11 C8 C C8 N Y N 0 1.637 1.901 0.02
12 C7 C C7 N Y N 0 0.963 0.665 0.004
13 C6 C C6 N Y N 0 1.675 -0.525 -0.011
14 C12 C C12 N N N 0 -0.469 0.637 0.004
15 C13 C C13 N N N 0 -1.643 0.613 0.004
16 C14 C C14 N Y N 0 -3.075 0.585 0.004
17 C22 C C22 N Y N 0 -3.754 -0.634 -0.012
18 C21 C C21 N Y N 0 -5.137 -0.66 -0.012
19 C17 C C17 N Y N 0 -5.851 0.521 0.006
20 C16 C C16 N Y N 0 -5.179 1.737 0.02
21 C15 C C15 N Y N 0 -3.803 1.778 0.025
22 C20 C C20 N N N 0 -5.827 -2.001 -0.034
23 C19 C C19 N N N 0 -7.289 -1.842 0.383
24 N3 N N3 N N N 0 -7.887 -0.76 -0.415
25 C18 C C18 N N N 0 -7.357 0.538 0.012
26 H3 H H3 N N N 0 7.582 -2.392 -0.037
27 H1 H H1 N N N 0 9.019 -1.522 -0.025
28 H2 H H2 N N N 0 7.462 1.608 0.031
29 H9 H H9 N N N 0 5.667 1.741 0.022
30 H5 H H5 N N N 0 3.326 -2.637 -0.035
31 H4 H H4 N N N 0 5.755 -2.545 -0.041
32 H8 H H8 N N N 0 3.496 2.908 0.034
33 H7 H H7 N N N 0 1.068 2.819 0.032
34 H6 H H6 N N N 0 1.154 -1.471 -0.024
35 H19 H H19 N N N 0 -3.198 -1.56 -0.025
36 H11 H H11 N N N 0 -5.741 2.659 0.032
37 H10 H H10 N N N 0 -3.288 2.727 0.036
38 H18 H H18 N N N 0 -5.781 -2.414 -1.042
39 H17 H H17 N N N 0 -5.325 -2.678 0.656
40 H16 H H16 N N N 0 -7.826 -2.773 0.198
41 H15 H H15 N N N 0 -7.343 -1.592 1.442
42 H14 H H14 N N N 0 -8.894 -0.778 -0.352
43 H12 H H12 N N N 0 -7.71 0.757 1.02
44 H13 H H13 N N N 0 -7.711 1.313 -0.669