Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A1ALQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 57


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N Y N 0 5.105 -3.233 -0.159
2 N3 N N2 N Y N 0 -3.064 -0.66 -0.171
3 C4 C C1 N Y N 0 1.966 -0.155 0.04
4 C5 C C2 N Y N 0 1.388 1.09 0.529
5 C6 C C3 N Y N 0 0.11 1.673 0.491
6 C7 C C4 S N N 0 -2.271 1.651 -0.155
7 C8 C C5 N Y N 0 -3.325 0.605 0.099
8 C10 C C6 N Y N 0 -5.516 0.015 0.843
9 C13 C C7 N N N 0 -4.45 -3.925 0.312
10 C15 C C8 N N N 0 -2.504 2.288 -1.527
11 C17 C C9 N N N 0 -2.489 1.2 -2.603
12 C20 C C10 N Y N 0 2.43 1.79 1.169
13 C21 C C11 N Y N 0 5.578 -1.047 -0.28
14 C22 C C12 N N N 0 6.259 0.199 -0.468
15 N7 N N3 N N N 0 6.799 1.187 -0.618
16 N N N4 N Y N 0 6.107 -2.298 -0.444
17 C C C13 N N N 0 7.481 -2.606 -0.848
18 C2 C C14 N Y N 0 4.248 -1.218 0.107
19 C1 C C15 N Y N 0 4.008 -2.602 0.166
20 C3 C C16 N Y N 0 3.276 -0.147 0.4
21 N6 N N5 N Y N 0 3.559 1.023 1.073
22 N5 N N6 N Y N 0 2.16 2.977 1.71
23 C19 C C17 N Y N 0 0.947 3.484 1.649
24 N4 N N7 N Y N 0 -0.059 2.862 1.061
25 N2 N N8 N N N 0 -0.946 1.026 -0.125
26 C18 C C18 N N N 0 -3.86 2.996 -1.536
27 C16 C C19 N N N 0 -1.396 3.303 -1.813
28 C12 C C20 N Y N 0 -3.956 -1.617 0.034
29 O O O1 N N N 0 -3.633 -2.902 -0.268
30 C14 C C21 N N N 0 -5.921 -3.533 0.122
31 O1 O O2 N N N 0 -6.137 -2.276 0.775
32 C11 C C22 N Y N 0 -5.211 -1.306 0.55
33 C9 C C23 N Y N 0 -4.549 0.984 0.61
34 H6 H H1 N N N 0 1.452 -0.936 -0.501
35 H H H2 N N N 0 -2.328 2.419 0.616
36 H9 H H3 N N N 0 -6.483 0.284 1.243
37 H11 H H4 N N N 0 -4.256 -4.876 -0.185
38 H10 H H5 N N N 0 -4.227 -4.014 1.375
39 H17 H H6 N N N 0 -3.279 0.477 -2.399
40 H18 H H7 N N N 0 -2.655 1.654 -3.58
41 H19 H H8 N N N 0 -1.523 0.695 -2.596
42 H3 H H9 N N N 0 7.533 -2.674 -1.935
43 H4 H H10 N N N 0 8.147 -1.816 -0.501
44 H2 H H11 N N N 0 7.784 -3.556 -0.41
45 H5 H H12 N N N 0 3.071 -3.068 0.436
46 H1 H H13 N N N 0 4.428 1.265 1.429
47 H23 H H14 N N N 0 0.767 4.449 2.1
48 H7 H H15 N N N 0 -0.809 0.159 -0.538
49 H21 H H16 N N N 0 -3.912 3.691 -0.698
50 H22 H H17 N N N 0 -3.976 3.545 -2.47
51 H20 H H18 N N N 0 -4.656 2.258 -1.447
52 H14 H H19 N N N 0 -0.43 2.798 -1.806
53 H16 H H20 N N N 0 -1.562 3.757 -2.79
54 H15 H H21 N N N 0 -1.406 4.078 -1.046
55 H12 H H22 N N N 0 -6.142 -3.438 -0.941
56 H13 H H23 N N N 0 -6.564 -4.293 0.565
57 H8 H H24 N N N 0 -4.753 2.022 0.827