Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : MWD

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 C01 C C6 N N N 0 8.538 2.139 0.388
2 C02 C C7 N N N 0 7.594 0.968 0.105
3 C03 C C8 N N N 0 6.145 1.454 0.169
4 C05 C C9 N N N 0 3.908 0.527 -0.099
5 C07 C C10 N N N 0 1.633 -0.253 -0.558
6 C08 C C11 S N N 0 0.903 -1.281 0.312
7 C09 C C12 N N N 0 -0.584 -1.15 0.105
8 C12 C C13 N Y N 0 -2.598 0.102 0.301
9 C13 C C14 N Y N 0 -3.194 1.293 -0.093
10 C14 C C15 N Y N 0 -4.571 1.378 -0.181
11 C16 C C16 N Y N 0 -5.356 0.277 0.125
12 C18 C C1 N Y N 0 -4.762 -0.909 0.517
13 C19 C C2 N Y N 0 -3.386 -0.999 0.606
14 C20 C C3 N N N 0 1.352 -2.689 -0.085
15 C21 C C4 N N N 0 2.856 -2.834 0.155
16 C22 C C5 N N N 0 3.608 -1.823 -0.717
17 CL1 CL CL1 N N N 0 -7.085 0.386 0.015
18 F15 F F1 N N N 0 -5.153 2.536 -0.563
19 H1 H H1 N N N 0 -5.375 -1.768 0.751
20 H10 H H10 N N N 0 8.383 2.919 -0.358
21 H11 H H11 N N N 0 8.332 2.54 1.38
22 H12 H H12 N N N 0 7.8 0.567 -0.887
23 H13 H H13 N N N 0 7.749 0.189 0.851
24 H14 H H14 N N N 0 5.939 1.855 1.161
25 H15 H H15 N N N 0 5.99 2.234 -0.578
26 H16 H H16 N N N 0 1.325 -0.369 -1.598
27 H17 H H17 N N N 0 1.393 0.754 -0.217
28 H18 H H18 N N N 0 1.142 -1.105 1.36
29 H19 H H19 N N N 0 -2.583 2.151 -0.331
30 H2 H H2 N N N 0 -2.924 -1.926 0.913
31 H20 H H20 N N N 0 5.603 -0.548 -0.283
32 H21 H H21 N N N 0 -0.684 0.786 0.658
33 H3 H H3 N N N 0 1.135 -2.856 -1.14
34 H4 H H4 N N N 0 0.816 -3.424 0.516
35 H5 H H5 N N N 0 3.077 -2.643 1.205
36 H6 H H6 N N N 0 3.171 -3.844 -0.106
37 H7 H H7 N N N 0 4.671 -1.854 -0.477
38 H8 H H8 N N N 0 3.461 -2.068 -1.769
39 H9 H H9 N N N 0 9.57 1.793 0.343
40 N04 N N1 N N N 0 5.241 0.333 -0.102
41 N06 N N2 N N N 0 3.08 -0.479 -0.445
42 N11 N N3 N N N 0 -1.204 0.012 0.39
43 O10 O O1 N N N 0 -1.222 -2.09 -0.318
44 O23 O O2 N N N 0 3.451 1.609 0.216