Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 551

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -8.591 0.622 -0.332
2 O2 O O1 N N N 0 -6.592 -0.906 0.472
3 C3 C C2 N N N 0 -6.2 0.083 -0.11
4 C5 C C3 N N N 0 -2.494 -0.216 -0.075
5 C6 C C4 N N N 0 -1.488 -1.232 0.471
6 C7 C C5 N N N 0 0.872 -1.735 0.673
7 C8 C C6 N Y N 0 2.256 -1.242 0.339
8 C9 C C7 N Y N 0 2.849 -1.609 -0.856
9 C10 C C8 N Y N 0 4.116 -1.16 -1.168
10 C11 C C9 N Y N 0 4.8 -0.336 -0.277
11 C12 C C10 N Y N 0 4.198 0.031 0.927
12 C14 C C11 N Y N 0 6.163 0.149 -0.607
13 C15 C C12 N Y N 0 7.14 -0.748 -1.031
14 C17 C C13 N Y N 0 8.706 1.054 -1.222
15 C18 C C14 N Y N 0 7.737 1.95 -0.806
16 C19 C C15 N Y N 0 6.468 1.504 -0.498
17 CL CL CL1 N N N 0 5.042 1.058 2.043
18 C16 C C16 N Y N 0 8.406 -0.292 -1.337
19 C13 C C17 N Y N 0 2.927 -0.42 1.226
20 N1 N N1 N N N 0 -0.123 -0.783 0.163
21 C4 C C18 N N N 0 -3.915 -0.684 0.246
22 N N N2 N N N 0 -4.879 0.288 -0.277
23 C2 C C19 N N N 0 -7.192 1.083 -0.648
24 O1 O O2 N N N 0 -8.766 -0.412 0.268
25 O O O3 N N N 0 -9.644 1.363 -0.712
26 C C C20 N N N 0 -10.962 0.862 -0.369
27 H1 H H1 N N N 0 -2.318 0.755 0.388
28 H2 H H2 N N N 0 -2.375 -0.131 -1.155
29 H3 H H3 N N N 0 -1.607 -1.317 1.551
30 H4 H H4 N N N 0 -1.664 -2.203 0.008
31 H5 H H5 N N N 0 0.712 -2.71 0.212
32 H6 H H6 N N N 0 0.769 -1.824 1.755
33 H7 H H7 N N N 0 2.318 -2.248 -1.546
34 H8 H H8 N N N 0 4.577 -1.448 -2.101
35 H9 H H9 N N N 0 6.908 -1.799 -1.121
36 H10 H H10 N N N 0 9.698 1.407 -1.462
37 H11 H H11 N N N 0 7.975 3.0 -0.722
38 H12 H H12 N N N 0 5.713 2.205 -0.174
39 H13 H H13 N N N 0 9.165 -0.987 -1.666
40 H14 H H14 N N N 0 2.458 -0.133 2.155
41 H15 H H15 N N N 0 0.043 0.144 0.526
42 H20 H H20 N N N 0 -7.072 1.168 -1.728
43 H17 H H17 N N N 0 -4.091 -1.655 -0.217
44 H18 H H18 N N N 0 -4.035 -0.769 1.326
45 H19 H H19 N N N 0 -4.566 1.079 -0.742
46 H21 H H21 N N N 0 -7.016 2.054 -0.185
47 H22 H H22 N N N 0 -11.11 -0.115 -0.829
48 H23 H H23 N N N 0 -11.045 0.769 0.714
49 H24 H H24 N N N 0 -11.721 1.554 -0.733