Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IA5

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 56


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 6.191 4.271 -2.141
2 C3 C C2 N N N 0 4.594 2.917 -0.995
3 C5 C C3 N N N 0 3.467 1.954 -0.955
4 C7 C C4 N N N 0 2.971 1.54 0.236
5 C8 C C5 N N N 0 1.824 0.712 0.276
6 C10 C C6 N N N 0 1.191 0.362 1.598
7 C11 C C7 N N N 0 2.161 -0.49 2.419
8 C12 C C8 N Y N 0 2.574 -1.696 1.615
9 C13 C C9 N Y N 0 1.783 -2.83 1.615
10 C14 C C10 N Y N 0 2.161 -3.936 0.878
11 C15 C C11 N Y N 0 3.331 -3.909 0.141
12 C17 C C12 N Y N 0 4.122 -2.774 0.141
13 C18 C C13 N Y N 0 3.741 -1.666 0.874
14 C19 C C14 N N N 0 0.863 1.647 2.364
15 C20 C C15 N N N 0 -0.153 2.466 1.565
16 C22 C C16 N N N 0 -2.42 2.474 0.717
17 C23 C C17 N Y N 0 -3.722 1.714 0.746
18 C24 C C18 N Y N 0 -4.049 0.865 -0.294
19 C25 C C19 N Y N 0 -5.241 0.163 -0.265
20 C27 C C20 N Y N 0 -6.104 0.312 0.805
21 C28 C C21 N Y N 0 -5.777 1.163 1.845
22 C29 C C22 N Y N 0 -4.586 1.863 1.815
23 C30 C C23 N N N 0 -1.089 0.457 0.586
24 C31 C C24 N N N 0 -0.101 -0.422 1.357
25 N21 N N1 N N N 0 -1.371 1.672 1.36
26 O2 O O1 N N N 0 5.088 3.328 -2.178
27 O4 O O2 N N N 0 5.073 3.334 0.04
28 O6 O O3 N N N 0 2.935 1.49 -2.108
29 O9 O O4 N N N 0 1.349 0.283 -0.756
30 BR1 BR BR1 N N N 0 -5.689 -0.999 -1.687
31 CL1 CL CL1 N N N 0 3.807 -5.299 -0.785
32 H1 H H1 N N N 0 6.492 4.519 -3.159
33 H2 H H2 N N N 0 5.877 5.177 -1.624
34 H3 H H3 N N N 0 7.033 3.824 -1.612
35 H4 H H4 N N N 0 3.451 1.842 1.156
36 H5 H H5 N N N 0 3.043 0.1 2.668
37 H6 H H6 N N N 0 1.672 -0.815 3.337
38 H7 H H7 N N N 0 0.87 -2.851 2.191
39 H8 H H8 N N N 0 1.543 -4.822 0.878
40 H9 H H9 N N N 0 5.036 -2.752 -0.434
41 H10 H H10 N N N 0 4.356 -0.779 0.871
42 H11 H H11 N N N 0 0.442 1.394 3.337
43 H12 H H12 N N N 0 1.774 2.231 2.503
44 H13 H H13 N N N 0 -0.399 3.375 2.114
45 H14 H H14 N N N 0 0.275 2.731 0.598
46 H15 H H15 N N N 0 -2.141 2.677 -0.316
47 H16 H H16 N N N 0 -2.538 3.416 1.253
48 H17 H H17 N N N 0 -3.374 0.749 -1.129
49 H18 H H18 N N N 0 -7.035 -0.235 0.828
50 H19 H H19 N N N 0 -6.451 1.279 2.68
51 H20 H H20 N N N 0 -4.328 2.524 2.63
52 H21 H H21 N N N 0 -0.657 0.731 -0.376
53 H22 H H22 N N N 0 -2.016 -0.094 0.425
54 H23 H H23 N N N 0 0.12 -1.317 0.775
55 H24 H H24 N N N 0 -0.537 -0.708 2.313
56 H26 H H26 N N N 0 2.15 0.938 -1.984