Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : MOA

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 43


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 -2.058 -0.257 -3.574
2 C2 C C2 N N N 0 0.451 0.527 1.551
3 C3 C C3 N N N 0 -0.405 0.874 2.479
4 C4 C C4 N N N 0 -0.796 -0.11 3.551
5 C5 C C5 N N N 0 0.156 0.025 4.74
6 C6 C C6 N N N 0 -0.234 -0.959 5.811
7 C7 C C7 N N N 0 2.594 -1.372 -3.31
8 C8 C C8 N N N 0 3.499 1.214 -1.421
9 C9 C C9 N N N 0 -1.0 2.259 2.475
10 C10 C C10 N N N 0 -0.307 -1.346 -4.545
11 C11 C C11 N Y N 0 0.203 -0.697 -3.282
12 C12 C C12 N Y N 0 1.425 -0.658 -2.682
13 C13 C C13 N Y N 0 1.597 0.039 -1.489
14 C14 C C14 N Y N 0 0.524 0.694 -0.902
15 C15 C C15 N Y N 0 -0.721 0.666 -1.508
16 C16 C C16 N Y N 0 -0.891 -0.038 -2.71
17 C17 C C17 N N N 0 0.716 1.447 0.388
18 O1 O O1 N N N 0 -3.171 0.181 -3.361
19 O2 O O2 N N N 0 -1.719 -1.012 -4.633
20 O3 O O3 N N N 0 2.817 0.074 -0.895
21 O4 O O4 N N N 0 -1.77 1.31 -0.939
22 O5 O O5 N N N 0 0.466 -1.02 6.955
23 O6 O O6 N N N 0 -1.178 -1.694 5.641
24 H21 H 1H2 N N N 0 0.967 -0.418 1.62
25 H41 H 1H4 N N N 0 -1.816 0.093 3.877
26 H42 H 2H4 N N N 0 -0.738 -1.123 3.152
27 H51 H 1H5 N N N 0 1.176 -0.178 4.413
28 H52 H 2H5 N N N 0 0.098 1.037 5.139
29 H71 H 1H7 N N N 0 2.642 -2.393 -2.931
30 H72 H 2H7 N N N 0 2.468 -1.392 -4.393
31 H73 H 3H7 N N N 0 3.516 -0.848 -3.061
32 H81 H 1H8 N N N 0 4.489 1.284 -0.971
33 H82 H 2H8 N N N 0 3.597 1.113 -2.501
34 H83 H 3H8 N N N 0 2.931 2.116 -1.19
35 H91 H 1H9 N N N 0 -0.532 2.853 1.69
36 H92 H 2H9 N N N 0 -2.073 2.193 2.291
37 H93 H 3H9 N N N 0 -0.826 2.732 3.441
38 H1O1 H 1H1O N N N 0 0.224 -0.951 -5.41
39 H102 H 2H10 N N N 0 -0.181 -2.427 -4.488
40 H171 H 1H17 N N N 0 1.74 1.817 0.444
41 H172 H 2H17 N N N 0 0.023 2.288 0.424
42 HO41 H 1HO4 N N N 0 -2.197 0.678 -0.344
43 HO51 H 1HO5 N N N 0 0.215 -1.652 7.642