Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JC8

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 40


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C13 C C1 S N N 0 -5.45 -0.195 0.693
2 C14 C C2 N N N 0 -5.991 -1.561 0.176
3 C11 C C3 R N N 0 -3.149 -0.836 0.194
4 F F F1 N N N 0 0.999 2.898 -0.053
5 C10 C C4 N Y N 0 0.014 1.975 0.006
6 C6 C C5 N Y N 0 0.339 0.617 0.051
7 C3 C C6 N Y N 0 1.754 0.179 0.033
8 N1 N N1 N Y N 0 2.716 1.08 -0.135
9 C2 C C7 N Y N 0 3.986 0.739 -0.158
10 C4 C C8 N Y N 0 2.059 -1.172 0.199
11 C5 C C9 N Y N 0 3.381 -1.571 0.182
12 C1 C C10 N Y N 0 4.37 -0.595 -0.003
13 C C C11 N N N 0 5.798 -0.971 -0.03
14 O O O1 N N N 0 6.122 -2.134 0.109
15 N N N2 N N N 0 6.741 -0.025 -0.209
16 N2 N N3 N Y N 0 -1.246 2.364 0.028
17 C9 C C12 N Y N 0 -2.24 1.498 0.086
18 C8 C C13 N Y N 0 -2.0 0.137 0.127
19 C7 C C14 N Y N 0 -0.694 -0.322 0.113
20 C16 C C15 R N N 0 -4.083 -0.678 -1.062
21 C15 C C16 N N N 0 -5.061 -1.89 -1.018
22 N3 N N4 N N N 0 -4.982 0.436 -0.592
23 C12 C C17 N N N 0 -4.088 -0.513 1.382
24 H1 H H1 N N N 0 -6.15 0.395 1.285
25 H2 H H2 N N N 0 -5.907 -2.325 0.949
26 H3 H H3 N N N 0 -7.024 -1.464 -0.158
27 H4 H H4 N N N 0 -2.78 -1.859 0.271
28 H5 H H5 N N N 0 4.741 1.5 -0.297
29 H6 H H6 N N N 0 1.271 -1.897 0.34
30 H7 H H7 N N N 0 3.647 -2.61 0.308
31 H8 H H8 N N N 0 6.482 0.904 -0.32
32 H9 H H9 N N N 0 7.678 -0.272 -0.226
33 H10 H H10 N N N 0 -3.258 1.859 0.102
34 H11 H H11 N N N 0 -0.479 -1.38 0.148
35 H12 H H12 N N N 0 -3.572 -0.517 -2.012
36 H13 H H13 N N N 0 -4.516 -2.816 -0.837
37 H14 H H14 N N N 0 -5.634 -1.955 -1.944
38 H15 H H15 N N N 0 -5.751 0.561 -1.234
39 H17 H H17 N N N 0 -3.729 0.358 1.929
40 H18 H H18 N N N 0 -4.178 -1.374 2.045