Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : EI9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 3.069 3.134 1.355
2 C10 C C2 N Y N 0 2.749 -2.886 1.341
3 C11 C C3 N Y N 0 3.51 -4.033 1.219
4 C12 C C4 N Y N 0 1.742 -5.185 0.294
5 C13 C C5 N Y N 0 0.922 -4.076 0.38
6 C14 C C6 N Y N 0 -1.65 0.201 -1.172
7 C15 C C7 N Y N 0 -1.495 1.438 -1.769
8 C16 C C8 N Y N 0 -2.458 2.414 -1.597
9 C17 C C9 N Y N 0 -3.577 2.154 -0.828
10 C18 C C10 N Y N 0 -3.732 0.917 -0.23
11 C19 C C11 N Y N 0 -2.768 -0.059 -0.402
12 C5 C C17 N Y N 0 3.684 0.773 -1.503
13 C2 C C12 N N N 0 4.995 3.822 0.144
14 C20 C C13 N Y N 0 1.846 1.093 0.582
15 C21 C C14 N Y N 0 2.893 2.001 0.439
16 C3 C C15 N N N 0 4.912 2.811 -0.735
17 C4 C C16 N Y N 0 3.823 1.839 -0.614
18 C6 C C18 N Y N 0 2.652 -0.108 -1.35
19 C7 C C19 N Y N 0 1.73 0.044 -0.314
20 C8 C C20 N N N 0 0.564 -1.674 1.04
21 C9 C C21 N Y N 0 1.429 -2.902 0.918
22 N1 N N1 N N N 0 4.099 3.982 1.164
23 N2 N N2 N N N 0 0.682 -0.87 -0.179
24 N3 N N3 N Y N 0 2.993 -5.134 0.707
25 O1 O O1 N N N 0 2.29 3.309 2.275
26 O2 O O2 N N N 0 -1.074 -2.29 -1.173
27 O3 O O3 N N N 0 0.252 -0.729 -2.605
28 O4 O O4 N N N 0 -5.373 1.74 1.55
29 O5 O O5 N N N 0 -6.138 0.057 -0.132
30 S1 S S1 N N N 0 -0.426 -1.046 -1.397
31 S2 S S2 N N N 0 -5.157 0.585 0.75
32 H1 H H1 N N N 0 3.176 -1.989 1.765
33 H2 H H2 N N N 0 4.539 -4.029 1.545
34 H3 H H3 N N N 0 1.355 -6.103 -0.123
35 H4 H H4 N N N 0 -0.099 -4.122 0.033
36 H5 H H5 N N N 0 -0.621 1.642 -2.37
37 H6 H H6 N N N 0 -2.337 3.381 -2.064
38 H7 H H7 N N N 0 -4.329 2.917 -0.693
39 H8 H H8 N N N 0 -2.89 -1.026 0.064
40 H9 H H9 N N N 0 5.8 4.535 0.043
41 H10 H H10 N N N 0 1.13 1.207 1.383
42 H11 H H11 N N N 0 5.639 2.718 -1.528
43 H13 H H13 N N N 0 4.391 0.645 -2.31
44 H14 H H14 N N N 0 2.546 -0.932 -2.041
45 H15 H H15 N N N 0 -0.475 -1.973 1.179
46 H16 H H16 N N N 0 0.89 -1.084 1.897
47 F1 F F1 N N Y 0 -4.772 -0.604 1.765
48 H12 H H12 N N Y 0 4.208 4.731 1.77