Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : QQA

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 60


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 8.691 0.444 -0.15
2 C2 C C2 N Y N 0 8.411 -0.899 0.073
3 C11 C C3 N Y N 0 -0.043 -0.442 0.004
4 C14 C C4 N Y N 0 -0.252 -1.798 0.235
5 C15 C C5 N Y N 0 -1.546 -2.283 0.311
6 C23 C C9 N Y N 0 -4.393 0.717 -1.237
7 C16 C C6 N Y N 0 -2.601 -1.389 0.152
8 C17 C C7 N Y N 0 -2.319 -0.039 -0.078
9 C19 C C8 N Y N 0 -3.432 0.925 -0.248
10 C24 C C10 N Y N 0 -5.427 1.617 -1.391
11 C25 C C11 N Y N 0 -5.512 2.727 -0.567
12 C26 C C12 N Y N 0 -4.561 2.94 0.416
13 C27 C C13 N Y N 0 -3.525 2.042 0.583
14 C28 C C14 N N N 0 -4.472 -2.384 -0.87
15 C29 C C15 N N N 0 -5.896 -2.862 -0.913
16 C31 C C16 N N N 0 -6.155 -1.798 1.236
17 C32 C C17 N N N 0 -4.649 -1.682 1.479
18 C33 C C18 N N N 0 -7.848 -3.338 0.438
19 C4 C C19 N Y N 0 6.135 -0.494 0.018
20 C5 C C20 N Y N 0 6.346 0.86 -0.212
21 C6 C C21 N Y N 0 7.643 1.34 -0.292
22 C8 C C22 N N N 0 3.7 -0.074 -0.055
23 C9 C C23 N N N 0 2.395 -0.861 0.078
24 N10 N N1 N N N 0 1.257 0.049 -0.078
25 N12 N N2 N N N 1 10.092 0.913 -0.229
26 N13 N N3 N N N 0 9.456 -1.804 0.217
27 N18 N N4 N Y N 0 -1.063 0.387 -0.143
28 N20 N N5 N N N 0 -3.926 -1.836 0.22
29 N3 N N6 N Y N 0 7.159 -1.325 0.15
30 N30 N N7 N N N 0 -6.415 -3.017 0.452
31 N7 N N8 N N N 0 4.837 -0.984 0.101
32 O21 O O1 N N N -1 10.402 1.99 0.249
33 O22 O O2 N N N 0 10.936 0.223 -0.772
34 O36 O O3 N N N 0 -3.788 -2.506 -1.864
35 CL1 CL CL1 N N N 0 -2.336 2.306 1.821
36 CL2 CL CL2 N N N 0 -6.816 3.855 -0.768
37 H1 H H1 N N N 0 0.588 -2.466 0.354
38 H2 H H2 N N N 0 -1.733 -3.331 0.489
39 H3 H H3 N N N 0 -4.328 -0.148 -1.88
40 H4 H H4 N N N 0 -6.171 1.457 -2.157
41 H5 H H5 N N N 0 -4.632 3.807 1.056
42 H6 H H6 N N N 0 -6.505 -2.135 -1.451
43 H7 H H7 N N N 0 -5.94 -3.821 -1.428
44 H8 H H8 N N N 0 -6.676 -1.86 2.191
45 H9 H H9 N N N 0 -6.507 -0.927 0.683
46 H10 H H10 N N N 0 -4.426 -0.705 1.908
47 H11 H H11 N N N 0 -4.334 -2.462 2.173
48 H12 H H12 N N N 0 -8.014 -4.232 -0.163
49 H13 H H13 N N N 0 -8.191 -3.516 1.457
50 H14 H H14 N N N 0 -8.403 -2.503 0.009
51 H15 H H15 N N N 0 5.508 1.533 -0.319
52 H16 H H16 N N N 0 7.834 2.389 -0.462
53 H17 H H17 N N N 0 3.742 0.396 -1.038
54 H18 H H18 N N N 0 3.741 0.695 0.717
55 H19 H H19 N N N 0 2.354 -1.63 -0.694
56 H20 H H20 N N N 0 2.352 -1.331 1.061
57 H21 H H21 N N N 0 1.41 0.993 -0.239
58 H22 H H22 N N N 0 10.369 -1.485 0.281
59 H23 H H23 N N N 0 9.271 -2.756 0.254
60 H25 H H25 N N N 0 4.684 -1.928 0.261