Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : X3A

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 33


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N Y N 0 1.274 -0.826 0.008
2 C2 C C2 N Y N 0 0.152 -1.507 -0.001
3 N3 N N3 N N N 0 0.103 -2.891 0.041
4 C4 C C4 N Y N 0 -0.978 -0.71 -0.057
5 C5 C C5 N N N 0 -2.311 -1.161 -0.079
6 C6 C C6 N Y N 0 -3.423 -0.187 0.005
7 C7 C C7 N Y N 0 -4.671 -0.488 -0.54
8 N8 N N8 N Y N 0 -5.661 0.378 -0.465
9 C9 C C9 N Y N 0 -5.517 1.552 0.121
10 C10 C C10 N Y N 0 -4.31 1.925 0.685
11 C11 C C11 N Y N 0 -3.24 1.048 0.637
12 O12 O O12 N N N 0 -2.55 -2.353 -0.168
13 S13 S S13 N Y N 0 -0.447 0.969 -0.094
14 C14 C C14 N Y N 0 1.186 0.472 -0.034
15 N15 N N15 N N N 0 2.264 1.329 -0.031
16 C16 C C16 N Y N 0 3.565 0.816 -0.005
17 C17 C C17 N Y N 0 4.603 1.521 -0.601
18 C18 C C18 N Y N 0 5.886 1.011 -0.574
19 C19 C C19 N Y N 0 6.138 -0.199 0.045
20 C20 C C20 N Y N 0 5.107 -0.903 0.64
21 C21 C C21 N Y N 0 3.822 -0.396 0.621
22 HN3 H HN3 N N N 0 0.925 -3.404 0.079
23 HN3A H HN3A N N N 0 -0.753 -3.346 0.032
24 H7 H H7 N N N 0 -4.828 -1.438 -1.028
25 H9 H H9 N N N 0 -6.354 2.232 0.16
26 H10 H H10 N N N 0 -4.205 2.889 1.161
27 H11 H H11 N N N 0 -2.288 1.312 1.074
28 HN15 H HN15 N N N 0 2.122 2.288 -0.047
29 H17 H H17 N N N 0 4.406 2.466 -1.086
30 H18 H H18 N N N 0 6.694 1.559 -1.037
31 H19 H H19 N N N 0 7.142 -0.596 0.064
32 H20 H H20 N N N 0 5.307 -1.849 1.122
33 H21 H H21 N N N 0 3.018 -0.945 1.09