Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 0QQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 50


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C11 C C1 N Y N 0 -3.395 -0.258 -0.096
2 C13 C C2 N Y N 0 -4.78 1.171 -1.272
3 C14 C C3 N Y N 0 -5.876 0.803 -0.501
4 N01 N N1 N N N 0 3.101 3.479 -0.96
5 C02 C C4 N N N 0 3.524 2.28 -0.435
6 N03 N N2 N N N 0 3.515 1.254 -1.2
7 C04 C C5 R N N 0 3.88 -0.11 -0.883
8 C05 C C6 N Y N 0 2.622 -0.91 -0.658
9 C06 C C7 N Y N 0 1.388 -0.301 -0.771
10 C07 C C8 N Y N 0 0.229 -1.039 -0.564
11 N08 N N3 N N N 0 -1.022 -0.424 -0.678
12 C09 C C9 N N N 0 -2.044 -0.825 0.104
13 O10 O O1 N N N 0 -1.855 -1.653 0.975
14 N12 N N4 N Y N 0 -3.596 0.642 -1.053
15 O15 O O2 N N N 0 -7.092 1.361 -0.736
16 C16 C C10 N N N 0 -8.226 0.683 -0.184
17 C17 C C11 N N N 0 -7.91 0.319 1.273
18 O18 O O3 N N N 0 -6.754 -0.528 1.285
19 C19 C C12 N Y N 0 -5.709 -0.14 0.512
20 C20 C C13 N Y N 0 -4.447 -0.678 0.718
21 C21 C C14 N Y N 0 0.315 -2.387 -0.243
22 C22 C C15 N Y N 0 1.552 -2.992 -0.132
23 C23 C C16 N Y N 0 2.706 -2.256 -0.344
24 F24 F F1 N N N 0 3.914 -2.85 -0.235
25 C25 C C17 N N N 0 4.639 -0.707 -2.07
26 C26 C C18 R N N 0 4.756 -0.211 0.36
27 F27 F F2 N N N 0 5.977 0.433 0.129
28 C28 C C19 R N N 0 4.035 0.462 1.536
29 S29 S S1 N N N 0 4.052 2.252 1.242
30 C30 C C20 N N N 0 4.766 0.146 2.842
31 H1 H H1 N N N 0 -4.901 1.9 -2.059
32 H2 H H2 N N N 0 2.808 3.529 -1.883
33 H3 H H3 N N N 0 3.096 4.276 -0.406
34 H4 H H4 N N N 0 1.323 0.748 -1.02
35 H5 H H5 N N N 0 -1.155 0.29 -1.321
36 H6 H H6 N N N 0 -9.097 1.336 -0.218
37 H7 H H7 N N N 0 -8.425 -0.225 -0.754
38 H8 H H8 N N N 0 -7.706 1.226 1.842
39 H9 H H9 N N N 0 -8.757 -0.208 1.712
40 H10 H H10 N N N 0 -4.282 -1.41 1.495
41 H11 H H11 N N N 0 -0.584 -2.963 -0.082
42 H12 H H12 N N N 0 1.62 -4.041 0.118
43 H13 H H13 N N N 0 4.011 -0.667 -2.96
44 H19 H H19 N N N 0 4.25 0.626 3.673
45 H14 H H14 N N N 0 5.551 -0.136 -2.242
46 H15 H H15 N N N 0 4.895 -1.744 -1.853
47 H16 H H16 N N N 0 4.934 -1.261 0.594
48 H17 H H17 N N N 0 3.007 0.103 1.592
49 H18 H H18 N N N 0 5.789 0.519 2.785
50 H20 H H20 N N N 0 4.781 -0.933 2.998