Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 32I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 55


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 -1.697 -1.741 -0.037
2 O1 O O1 N N N 0 4.531 -1.528 -0.25
3 C11 C C1 N N N 0 3.734 -0.611 -0.204
4 N3 N N2 N N N 0 4.172 0.663 -0.193
5 C12 C C2 N N N 0 5.527 0.927 -0.233
6 N5 N N3 N N N 0 6.38 -0.055 -0.282
7 N4 N N4 N N N 0 5.974 2.227 -0.222
8 C18 C C3 N Y N 0 2.289 -0.893 -0.161
9 N8 N N5 N Y N 0 1.412 0.109 -0.219
10 C8 C C4 N Y N 0 0.114 -0.145 -0.18
11 C10 C C5 N Y N 0 -0.86 0.968 -0.245
12 C13 C C6 N Y N 0 -1.953 0.914 -1.11
13 C15 C C7 N Y N 0 -0.712 2.105 0.569
14 O3 O O2 N N N 0 0.328 2.205 1.43
15 C17 C C8 N N N 0 0.404 3.393 2.22
16 N7 N N6 N Y N 0 -1.609 3.079 0.478
17 C14 C C9 N Y N 0 -2.627 2.987 -0.362
18 N6 N N7 N Y N 0 -2.801 1.929 -1.139
19 O2 O O3 N N N 0 -3.521 4.002 -0.425
20 C16 C C10 N N N 0 -4.603 3.858 -1.346
21 C9 C C11 N Y N 0 1.834 -2.219 -0.064
22 N2 N N8 N N N 0 2.743 -3.259 -0.009
23 N9 N N9 N Y N 0 0.531 -2.473 -0.026
24 C7 C C12 N Y N 0 -0.341 -1.476 -0.078
25 C6 C C13 N N N 0 -2.06 -2.647 -1.038
26 C1 C C14 N N N 0 -3.594 -2.783 -1.157
27 C5 C C15 N N N 0 -2.121 -2.121 1.325
28 C4 C C16 N N N 0 -3.556 -1.692 1.504
29 C3 C C17 N N N 0 -4.533 -2.841 1.2
30 C2 C C18 N N N 0 -4.098 -3.655 -0.035
31 H1 H H1 N N N 0 3.536 1.394 -0.156
32 H2 H H2 N N N 0 7.332 0.13 -0.311
33 H3 H H3 N N N 0 5.338 2.958 -0.185
34 H4 H H4 N N N 0 6.926 2.412 -0.25
35 H5 H H5 N N N 0 -2.104 0.056 -1.748
36 H6 H H6 N N N 0 1.282 3.345 2.865
37 H7 H H7 N N N 0 0.482 4.261 1.565
38 H8 H H8 N N N 0 -0.493 3.48 2.833
39 H9 H H9 N N N 0 -4.208 3.752 -2.357
40 H10 H H10 N N N 0 -5.184 2.972 -1.089
41 H11 H H11 N N N 0 -5.243 4.739 -1.296
42 H12 H H12 N N N 0 2.501 -4.091 0.428
43 H13 H H13 N N N 0 3.621 -3.157 -0.407
44 H14 H H14 N N N 0 -1.659 -2.303 -1.991
45 H15 H H15 N N N 0 -1.634 -3.622 -0.806
46 H16 H H16 N N N 0 -4.054 -1.797 -1.087
47 H17 H H17 N N N 0 -3.846 -3.237 -2.115
48 H18 H H18 N N N 0 -2.041 -3.201 1.447
49 H19 H H19 N N N 0 -1.491 -1.619 2.06
50 H20 H H20 N N N 0 -3.703 -1.363 2.533
51 H21 H H21 N N N 0 -3.765 -0.86 0.832
52 H22 H H22 N N N 0 -4.58 -3.504 2.063
53 H23 H H23 N N N 0 -5.524 -2.424 1.019
54 H24 H H24 N N N 0 -4.951 -4.232 -0.394
55 H25 H H25 N N N 0 -3.307 -4.345 0.258