Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CJ7

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 44


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C5 C C1 N Y N 0 -4.221 1.854 0.148
2 C4 C C2 N Y N 0 -5.599 1.918 0.104
3 N4 N N1 N Y N 0 -1.016 0.851 0.159
4 C3 C C3 N Y N 0 -6.348 0.756 -0.027
5 C2 C C4 N Y N 0 -5.727 -0.471 -0.116
6 C1 C C5 N Y N 0 -4.339 -0.555 -0.075
7 N2 N N2 N N N 0 5.149 0.109 0.283
8 C C C6 N N N 0 -3.877 -3.031 -0.281
9 N3 N N3 N Y N 0 0.095 0.198 0.136
10 N1 N N4 N Y N 0 -0.997 -1.831 -0.078
11 F F F1 N N N 0 -6.221 3.114 0.19
12 C6 C C7 N Y N 0 -3.582 0.619 0.058
13 C7 C C8 N Y N 0 -2.169 0.204 0.066
14 C8 C C9 N Y N 0 -2.167 -1.2 -0.058
15 N N N5 N Y N 0 -3.468 -1.632 -0.14
16 C9 C C10 N Y N 0 0.122 -1.126 0.02
17 S S S1 N N N 0 1.674 -1.959 -0.007
18 C10 C C11 N N N 0 2.793 -0.545 0.153
19 C11 C C12 N N N 0 4.241 -1.039 0.154
20 C12 C C13 N N N 0 6.528 -0.336 0.525
21 C13 C C14 N N N 0 7.417 0.88 0.799
22 C14 C C15 N N N 0 7.369 1.823 -0.407
23 C15 C C16 N N N 0 5.916 2.232 -0.668
24 C16 C C17 N N N 0 5.071 0.978 -0.899
25 H1 H H1 N N N 0 -3.64 2.759 0.246
26 H2 H H2 N N N 0 -7.426 0.815 -0.06
27 H3 H H3 N N N 0 -6.318 -1.369 -0.218
28 H5 H H5 N N N 0 -3.942 -3.286 -1.339
29 H6 H H6 N N N 0 -3.143 -3.675 0.203
30 H7 H H7 N N N 0 -4.851 -3.174 0.188
31 H8 H H8 N N N 0 2.641 0.134 -0.686
32 H9 H H9 N N N 0 2.587 -0.022 1.087
33 H10 H H10 N N N 0 4.448 -1.562 -0.78
34 H11 H H11 N N N 0 4.393 -1.718 0.992
35 H12 H H12 N N N 0 6.549 -1.002 1.387
36 H13 H H13 N N N 0 6.898 -0.866 -0.352
37 H14 H H14 N N N 0 7.055 1.403 1.684
38 H15 H H15 N N N 0 8.443 0.551 0.963
39 H16 H H16 N N N 0 7.966 2.711 -0.199
40 H17 H H17 N N N 0 7.767 1.313 -1.284
41 H18 H H18 N N N 0 5.531 2.777 0.195
42 H19 H H19 N N N 0 5.871 2.87 -1.55
43 H20 H H20 N N N 0 5.448 0.441 -1.769
44 H21 H H21 N N N 0 4.034 1.265 -1.07