Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : W54

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 45


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C31 C C31 N N N 0 1.136 -0.199 9.762
2 C3 C C3 N Y N 0 0.383 0.19 8.516
3 C4 C C4 N Y N 0 0.941 0.598 7.282
4 C5 C C5 N Y N 0 -0.137 0.832 6.497
5 O1 O O1 N Y N 0 -1.217 0.571 7.247
6 N2 N N2 N Y N 0 -0.908 0.211 8.36
7 C1C C C1C N N N 0 -0.126 1.295 5.063
8 C2C C C2C N N N 0 -0.098 0.079 4.135
9 C3C C C3C N N N 0 -0.086 0.549 2.679
10 C4C C C4C N N N 0 -0.058 -0.666 1.751
11 C5C C C5C N N N 0 -0.047 -0.196 0.295
12 O1B O O1B N N N 0 -0.021 -1.331 -0.571
13 C1B C C1B N Y N 0 -0.012 -0.854 -1.843
14 C2B C C2B N Y N 0 1.196 -0.595 -2.477
15 CL1 CL CL1 N N N 0 2.692 -0.88 -1.643
16 C3B C C3B N Y N 0 1.209 -0.111 -3.769
17 C4B C C4B N Y N 0 0.0060 0.117 -4.439
18 C5B C C5B N Y N 0 -1.206 -0.144 -3.798
19 C6B C C6B N Y N 0 -1.211 -0.633 -2.509
20 CL2 CL CL2 N N N 0 -2.719 -0.958 -1.712
21 C2A C C2A N N N 0 0.016 0.636 -5.823
22 N3A N N3A N N N 0 -1.065 0.869 -6.5
23 C4A C C4A N N N 0 -0.681 1.366 -7.836
24 C5A C C5A N N N 0 0.818 0.992 -7.9
25 O1A O O1A N N N 0 1.151 0.915 -6.497
26 H311 H 1H31 N N N 0 1.3 0.684 10.378
27 H312 H 2H31 N N N 0 0.555 -0.93 10.323
28 H313 H 3H31 N N N 0 2.097 -0.632 9.485
29 H4 H H4 N N N 0 1.985 0.7 7.026
30 H1C1 H 1H1C N N N 0 -1.021 1.884 4.864
31 H1C2 H 2H1C N N N 0 0.757 1.908 4.886
32 H2C1 H 1H2C N N N 0 0.797 -0.508 4.334
33 H2C2 H 2H2C N N N 0 -0.982 -0.532 4.312
34 H3C1 H 1H3C N N N 0 -0.982 1.138 2.48
35 H3C2 H 2H3C N N N 0 0.797 1.162 2.502
36 H4C1 H 1H4C N N N 0 0.836 -1.254 1.95
37 H4C2 H 2H4C N N N 0 -0.942 -1.278 1.928
38 H5C1 H 1H5C N N N 0 -0.943 0.392 0.096
39 H5C2 H 2H5C N N N 0 0.836 0.416 0.118
40 H3B H H3B N N N 0 2.149 0.09 -4.261
41 H5B H H5B N N N 0 -2.138 0.032 -4.314
42 H4A1 H 1H4A N N N 0 -1.244 0.856 -8.617
43 H4A2 H 2H4A N N N 0 -0.817 2.446 -7.903
44 H5A1 H 1H5A N N N 0 0.961 0.031 -8.394
45 H5A2 H 2H5A N N N 0 1.396 1.773 -8.394