Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : AQL

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 66


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O O O1 N N N 0 -0.718 0.765 1.217
2 C C C1 N N N 0 -0.576 -0.391 0.861
3 C29 C C2 N Y N 0 -1.728 -1.284 0.618
4 C23 C C3 N Y N 0 -3.024 -0.775 0.531
5 C24 C C4 N N N 0 -3.27 0.703 0.693
6 C25 C C5 N N N 0 -3.043 1.398 -0.625
7 C26 C C6 N N N 0 -3.963 2.19 -1.115
8 C28 C C7 N N N 0 -3.82 2.738 -2.512
9 C27 C C8 N N N 0 -5.165 2.554 -0.282
10 C21 C C9 N Y N 0 -4.079 -1.632 0.296
11 O5 O O2 N N N 0 -5.346 -1.145 0.211
12 C22 C C10 N N N 0 -5.803 -0.75 -1.085
13 C20 C C11 N Y N 0 -3.845 -3.001 0.146
14 O4 O O3 N N N 0 -4.886 -3.84 -0.088
15 C19 C C12 N Y N 0 -2.561 -3.51 0.234
16 C18 C C13 N Y N 0 -1.488 -2.66 0.475
17 O3 O O4 N N N 0 -0.241 -3.164 0.573
18 C2 C C14 N Y N 0 0.854 -2.38 0.497
19 C3 C C15 N Y N 0 2.098 -2.956 0.267
20 C4 C C16 N Y N 0 3.23 -2.167 0.196
21 C10 C C17 N Y N 0 3.136 -0.774 0.359
22 C9 C C18 N N N 0 4.374 0.03 0.283
23 C8 C C19 N N N 0 5.453 -0.532 -0.26
24 C5 C C20 N N N 0 5.382 -1.941 -0.787
25 C6 C C21 N N N 0 6.767 -2.584 -0.694
26 C7 C C22 N N N 0 4.938 -1.91 -2.251
27 O1 O O5 N N N 0 4.451 -2.714 -0.029
28 C11 C C23 N Y N 0 1.899 -0.178 0.586
29 C1 C C24 N Y N 0 0.756 -0.983 0.64
30 O2 O O6 N N N 0 1.802 1.165 0.745
31 C12 C C25 N N N 0 1.592 1.945 -0.433
32 C13 C C26 N Y N 0 1.51 3.404 -0.063
33 C17 C C27 N Y N 0 0.294 3.987 0.26
34 C16 C C28 N Y N 0 0.258 5.327 0.595
35 N N N1 N Y N 0 1.362 6.049 0.609
36 C15 C C29 N Y N 0 2.535 5.528 0.308
37 C14 C C30 N Y N 0 2.649 4.193 -0.031
38 H1 H H1 N N N 0 -4.297 0.868 1.018
39 H2 H H2 N N N 0 -2.584 1.107 1.439
40 H3 H H3 N N N 0 -2.121 1.241 -1.166
41 H4 H H4 N N N 0 -4.29 2.056 -3.22
42 H5 H H5 N N N 0 -4.305 3.713 -2.571
43 H6 H H6 N N N 0 -2.763 2.843 -2.754
44 H7 H H7 N N N 0 -5.128 2.016 0.665
45 H8 H H8 N N N 0 -5.163 3.627 -0.091
46 H9 H H9 N N N 0 -6.075 2.282 -0.819
47 H10 H H10 N N N 0 -6.826 -0.381 -1.012
48 H11 H H11 N N N 0 -5.159 0.039 -1.472
49 H12 H H12 N N N 0 -5.773 -1.607 -1.757
50 H13 H H13 N N N 0 -5.083 -3.97 -1.026
51 H14 H H14 N N N 0 -2.393 -4.57 0.116
52 H15 H H15 N N N 0 2.181 -4.026 0.143
53 H16 H H16 N N N 0 4.404 1.043 0.658
54 H17 H H17 N N N 0 6.377 0.023 -0.324
55 H18 H H18 N N N 0 6.724 -3.598 -1.093
56 H19 H H19 N N N 0 7.48 -1.996 -1.272
57 H20 H H20 N N N 0 7.083 -2.617 0.349
58 H21 H H21 N N N 0 3.947 -1.462 -2.32
59 H22 H H22 N N N 0 5.645 -1.321 -2.833
60 H23 H H23 N N N 0 4.904 -2.927 -2.641
61 H24 H H24 N N N 0 2.421 1.792 -1.124
62 H25 H H25 N N N 0 0.661 1.639 -0.91
63 H26 H H26 N N N 0 -0.613 3.401 0.249
64 H27 H H27 N N N 0 -0.685 5.789 0.847
65 H28 H H28 N N N 0 3.417 6.151 0.33
66 H29 H H29 N N N 0 3.614 3.771 -0.272