Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : J97

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 C14 C C1 N Y N 0 -2.666 -1.902 0.274
2 C01 C C2 N N N 0 -1.005 0.225 0.327
3 C02 C C3 N N N 0 0.228 0.799 -0.036
4 C03 C C4 N N N 0 1.47 0.027 0.064
5 C04 C C5 N N N 0 0.245 2.136 -0.498
6 C07 C C6 N N N 0 -2.094 2.276 -0.234
7 C08 C C7 N N N 0 -2.172 1.004 0.214
8 C09 C C8 N N N 0 -3.353 3.096 -0.348
9 C17 C C9 N Y N 0 3.822 -0.159 -0.236
10 C18 C C10 N Y N 0 5.01 0.532 -0.05
11 C19 C C11 N Y N 0 6.201 -0.172 0.123
12 C20 C C12 N Y N 0 6.19 -1.569 0.107
13 C21 C C13 N Y N 0 5.003 -2.247 -0.079
14 C22 C C14 N Y N 0 3.822 -1.548 -0.25
15 C23 C C15 N N N 0 7.471 0.557 0.322
16 C26 C C16 N Y N 0 -2.763 -2.578 -0.937
17 C27 C C17 N Y N 0 -4.004 -2.941 -1.427
18 C28 C C18 N Y N 0 -5.148 -2.63 -0.715
19 C30 C C20 N Y N 0 -3.818 -1.597 0.989
20 C29 C C19 N Y N 0 -5.056 -1.957 0.49
21 F10 F F1 N N N 0 -3.532 3.492 -1.678
22 F11 F F2 N N N 0 -4.448 2.329 0.062
23 F12 F F3 N N N 0 -3.246 4.23 0.465
24 N06 N N1 N N N 0 -0.904 2.831 -0.584
25 N15 N N2 N N N 0 2.624 0.543 -0.404
26 O05 O O1 N N N 0 1.3 2.658 -0.818
27 O16 O O2 N N N 0 1.459 -1.081 0.569
28 O24 O O3 N N N 0 8.621 -0.126 0.488
29 O25 O O4 N N N 0 7.479 1.771 0.335
30 S13 S S1 N N N 0 -1.087 -1.438 0.903
31 CL1 CL CL1 N N N 0 -3.704 -0.752 2.502
32 CL2 CL CL2 N N N 0 -1.327 -2.968 -1.832
33 H2 H H2 N N N 0 -3.129 0.585 0.486
34 H3 H H3 N N N 0 5.012 1.612 -0.039
35 H4 H H4 N N N 0 7.111 -2.118 0.24
36 H5 H H5 N N N 0 4.996 -3.327 -0.091
37 H6 H H6 N N N 0 2.896 -2.085 -0.395
38 H7 H H7 N N N 0 -4.08 -3.466 -2.367
39 H8 H H8 N N N 0 -6.116 -2.911 -1.102
40 H9 H H9 N N N 0 -5.951 -1.717 1.043
41 H10 H H10 N N N 0 2.623 1.4 -0.857
42 H11 H H11 N N N 0 9.426 0.395 0.614
43 H1 H H1 N N N 0 -0.882 3.747 -0.902