Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : AJM

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 44


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O1 O O1 N N N 0 -0.322 -2.88 -0.393
2 C15 C C15 R N N 0 0.201 -1.584 -0.692
3 C5 C C5 R N N 0 -0.552 -0.516 0.077
4 C4 C C4 N N N 0 0.09 -0.517 1.462
5 C6 C C6 N Y N 0 -2.024 -0.491 0.164
6 C7 C C7 N Y N 0 -2.982 -1.481 0.207
7 C8 C C8 N Y N 0 -4.31 -1.086 0.303
8 C9 C C9 N Y N 0 -4.667 0.246 0.352
9 C11 C C11 N Y N 0 -2.388 0.879 0.149
10 C10 C C10 N Y N 0 -3.718 1.257 0.304
11 C14 C C14 S N N 0 1.633 -1.478 -0.158
12 C13 C C13 S N N 0 2.548 -0.826 -1.193
13 C16 C C16 N N N 0 3.799 -0.275 -0.474
14 C3 C C3 S N N 0 1.592 -0.54 1.073
15 N2 N N2 N N N 0 1.907 0.831 0.632
16 C17 C C17 S N N 0 3.349 0.877 0.43
17 O2 O O2 N N N 0 4.007 0.766 1.693
18 C2 C C2 S N N 0 1.2 1.164 -0.592
19 C12 C C12 N N N 0 1.851 0.417 -1.776
20 C1 C C1 R N N 0 -0.259 0.841 -0.613
21 N1 N N1 N N N 0 -1.245 1.696 0.044
22 C18 C C18 N N N 0 -1.577 2.765 -0.908
23 HO1 H HO1 N N N 0 0.195 -3.515 -0.909
24 H15 H H15 N N N 0 0.153 -1.39 -1.763
25 H41 H 1H4 N N N 0 -0.183 -1.395 2.047
26 H42 H 2H4 N N N 0 -0.171 0.403 1.985
27 H7 H H7 N N N 0 -2.71 -2.526 0.167
28 H8 H H8 N N N 0 -5.083 -1.84 0.339
29 H9 H H9 N N N 0 -5.712 0.509 0.43
30 H10 H H10 N N N 0 -4.005 2.297 0.34
31 H14 H H14 N N N 0 2.007 -2.468 0.104
32 H13 H H13 N N N 0 2.821 -1.53 -1.979
33 H161 H 1H16 N N N 0 4.254 -1.061 0.129
34 H162 H 2H16 N N N 0 4.517 0.09 -1.209
35 H3 H H3 N N N 0 2.228 -0.863 1.898
36 H17 H H17 N N N 0 3.624 1.824 -0.035
37 HO2 H HO2 N N N 0 4.957 0.814 1.519
38 H2 H H2 N N N 0 1.312 2.234 -0.768
39 H121 H 1H12 N N N 0 1.086 0.114 -2.49
40 H122 H 2H12 N N N 0 2.583 1.06 -2.264
41 H1 H H1 N N N 0 -0.56 0.739 -1.656
42 H181 H 1H18 N N N 0 -1.988 2.327 -1.818
43 H182 H 2H18 N N N 0 -2.314 3.433 -0.461
44 H183 H 3H18 N N N 0 -0.676 3.328 -1.151