Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : S3E

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 C02 C C1 N N N 0 4.192 -0.197 -0.775
2 C03 C C2 N N N 0 2.726 0.142 -0.861
3 C04 C C3 S N N 0 2.306 0.91 0.393
4 C05 C C4 N N N 0 0.85 1.363 0.251
5 C07 C C5 N Y N 0 -1.339 0.55 -0.023
6 C08 C C6 N Y N 0 -2.349 -0.419 -0.131
7 C09 C C7 N Y N 0 -2.389 -1.88 -0.099
8 C10 C C8 N Y N 0 -3.674 -2.236 -0.259
9 C12 C C9 N Y N 0 -3.677 0.007 -0.316
10 C14 C C10 N Y N 0 -2.945 2.188 -0.277
11 C16 C C11 N N N 0 0.131 -0.669 1.35
12 C17 C C12 N N N 0 1.594 -1.102 1.48
13 N06 N N1 N N N 0 -0.019 0.181 0.16
14 N11 N N2 N Y N 0 -4.454 -1.116 -0.39
15 N13 N N3 N Y N 0 -3.922 1.315 -0.382
16 N15 N N4 N Y N 0 -1.684 1.832 -0.107
17 O01 O O1 N N N 0 4.785 -0.87 -1.774
18 O18 O O2 N N N 0 2.426 0.06 1.537
19 O19 O O3 N N N 0 4.834 0.141 0.19
20 H031 H H1 N N N 0 2.547 0.758 -1.742
21 H032 H H2 N N N 0 2.144 -0.777 -0.937
22 H041 H H3 N N N 0 2.948 1.782 0.518
23 H051 H H4 N N N 0 0.567 1.957 1.121
24 H052 H H5 N N N 0 0.743 1.966 -0.65
25 H091 H H6 N N N 0 -1.548 -2.545 0.028
26 H101 H H7 N N N 0 -4.039 -3.253 -0.281
27 H141 H H8 N N N 0 -3.182 3.24 -0.335
28 H161 H H9 N N N 0 -0.502 -1.551 1.249
29 H162 H H10 N N N 0 -0.164 -0.109 2.237
30 H172 H H11 N N N 0 1.72 -1.685 2.392
31 H171 H H12 N N N 0 1.872 -1.708 0.618
32 H111 H H13 N N N 0 -5.416 -1.119 -0.516
33 H1 H H14 N N N 0 5.727 -1.061 -1.676