Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : J50

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C17 C C1 N Y N 0 -4.498 1.183 0.022
2 C12 C C2 N Y N 0 -1.06 0.163 -0.512
3 C14 C C3 N Y N 0 -3.039 0.95 0.023
4 C15 C C4 N Y N 0 -2.136 1.545 0.847
5 C16 C C5 N Y N 0 -0.87 1.031 0.501
6 C19 C C6 N Y N 0 -6.428 2.293 0.923
7 C20 C C7 N Y N 0 -7.233 1.62 0.021
8 C21 C C8 N Y N 0 -6.678 0.726 -0.877
9 C22 C C9 N Y N 0 -5.317 0.503 -0.882
10 C23 C C10 N N N 0 4.037 1.184 -0.427
11 C24 C C11 N N N 0 3.99 2.44 0.405
12 C11 C C12 N N N 0 0.019 -0.629 -1.204
13 C18 C C13 N Y N 0 -5.065 2.08 0.929
14 C01 C C14 N N N 0 3.032 -0.905 -1.214
15 C03 C C15 N N N 0 1.816 0.598 0.419
16 C04 C C16 N N N 0 1.561 -0.611 1.328
17 C05 C C17 N N N 0 1.477 -1.873 0.479
18 C06 C C18 N N N 0 2.768 -2.103 -0.295
19 C08 C C19 N N N 0 -0.027 -4.094 0.356
20 C09 C C20 N N N 0 -0.441 -2.914 -0.502
21 N02 N N1 N N N 0 2.999 0.323 -0.408
22 N10 N N2 N N N 0 0.323 -1.829 -0.42
23 O13 O O1 N Y N 0 -2.371 0.116 -0.798
24 O25 O O2 N N N 0 5.008 0.947 -1.114
25 O26 O O3 N N N 0 -1.416 -2.958 -1.222
26 S07 S S1 N N N 0 1.133 -3.318 1.553
27 H1 H H1 N N N 0 -2.348 2.272 1.617
28 H2 H H2 N N N 0 0.073 1.285 0.961
29 H3 H H3 N N N 0 -6.868 2.99 1.621
30 H4 H H4 N N N 0 -8.299 1.791 0.02
31 H5 H H5 N N N 0 -7.312 0.203 -1.579
32 H6 H H6 N N N 0 -4.885 -0.195 -1.583
33 H7 H H7 N N N 0 3.138 3.047 0.098
34 H8 H H8 N N N 0 3.887 2.175 1.457
35 CL1 CL CL1 N N N 0 5.512 3.376 0.167
36 H10 H H10 N N N 0 -0.324 -0.921 -2.196
37 H11 H H11 N N N 0 0.917 -0.018 -1.295
38 H12 H H12 N N N 0 -4.438 2.606 1.634
39 H13 H H13 N N N 0 4.012 -1.01 -1.68
40 H14 H H14 N N N 0 2.262 -0.858 -1.983
41 H15 H H15 N N N 0 0.951 0.762 -0.223
42 H16 H H16 N N N 0 1.994 1.483 1.03
43 H17 H H17 N N N 0 2.377 -0.707 2.043
44 H18 H H18 N N N 0 2.676 -3.008 -0.895
45 H19 H H19 N N N 0 3.597 -2.214 0.405
46 H20 H H20 N N N 0 -0.888 -4.52 0.871
47 H21 H H21 N N N 0 0.481 -4.85 -0.243
48 H22 H H22 N N N 0 0.622 -0.47 1.864