Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 1J9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 51


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 7.674 0.125 -1.572
2 C10 C C10 N Y N 0 1.076 -0.403 -0.851
3 C11 C C11 N Y N 0 2.42 -0.965 -2.64
4 C12 C C12 S N N 0 -1.258 -0.779 -1.064
5 C13 C C13 N N N 0 -1.488 -2.269 -0.803
6 C14 C C14 N N N 0 -2.123 -3.822 0.909
7 C15 C C15 N N N 0 -2.536 -3.905 2.38
8 C16 C C16 N N N 0 -2.493 -0.0050 -0.683
9 C17 C C17 N Y N 0 -4.831 0.374 -0.869
10 C18 C C18 N Y N 0 -6.053 0.023 -1.431
11 C19 C C19 N Y N 0 -7.201 0.666 -1.0
12 C2 C C2 N Y N 0 8.508 0.623 -0.588
13 C20 C C20 N Y N 0 -7.085 1.641 -0.018
14 C21 C C21 N Y N 0 -5.838 1.938 0.496
15 C3 C C3 N Y N 0 7.982 1.046 0.619
16 C4 C C4 N Y N 0 6.621 0.97 0.846
17 C5 C C5 N Y N 0 5.781 0.47 -0.141
18 C6 C C6 N Y N 0 6.313 0.047 -1.352
19 C7 C C7 N Y N 0 3.47 -0.083 -0.796
20 C8 C C8 N Y N 0 2.22 0.023 -0.154
21 C9 C C9 N Y N 0 2.457 0.574 1.125
22 CL1 CL CL1 N N N 0 -8.493 2.477 0.557
23 CL2 CL CL2 N N N 0 5.962 1.499 2.362
24 H1 H H1 N N N 0 8.087 -0.2 -2.516
25 H10 H H10 N N N 0 -2.922 -4.222 0.284
26 H11 H H11 N N N 0 -1.214 -4.404 0.753
27 H12 H H12 N N N 0 -2.634 -4.951 2.671
28 H13 H H13 N N N 0 -1.777 -3.426 2.998
29 H14 H H14 N N N 0 -4.112 -3.254 3.472
30 H15 H H15 N N N 0 -3.701 -0.898 -2.028
31 H16 H H16 N N N 0 -6.106 -0.739 -2.193
32 H17 H H17 N N N 0 -8.164 0.415 -1.419
33 H18 H H18 N N N 0 -5.742 2.696 1.26
34 H2 H H2 N N N 0 9.572 0.683 -0.762
35 H3 H H3 N N N 0 8.636 1.434 1.386
36 H4 H H4 N N N 0 5.662 -0.342 -2.122
37 H5 H H5 N N N 0 1.705 0.785 1.87
38 H6 H H6 N N N 0 2.495 -1.364 -3.641
39 H7 H H7 N N N 0 -1.044 -0.625 -2.122
40 H8 H H8 N N N 0 -2.273 -2.637 -1.463
41 H9 H H9 N N N 0 -0.566 -2.818 -0.994
42 N1 N N1 N Y N 0 4.4 0.391 0.085
43 N2 N N2 N Y N 0 3.737 0.78 1.256
44 N3 N N3 N Y N 0 1.226 -0.884 -2.078
45 N4 N N4 N Y N 0 3.519 -0.58 -2.03
46 N5 N N5 N N N 0 -3.667 -0.266 -1.293
47 N6 N N6 N Y N 0 -4.762 1.305 0.069
48 O1 O O1 N N N 0 -0.151 -0.324 -0.283
49 O2 O O2 N N N 0 -1.882 -2.458 0.558
50 O3 O O3 N N N 0 -3.788 -3.241 2.561
51 O4 O O4 N N N 0 -2.432 0.851 0.173