Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 9CF

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 41


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C15 C C1 N N N 0 4.047 1.85 -0.024
2 C14 C C2 N N N 0 5.272 1.106 -0.566
3 C13 C C3 N N N 0 5.318 -0.295 0.052
4 C12 C C4 R N N 0 4.009 -1.025 -0.26
5 C16 C C5 N N N 0 4.023 -2.404 0.404
6 O5 O O1 N N N 0 2.909 -0.265 0.244
7 C11 C C6 R N N 0 2.788 1.037 -0.333
8 C10 C C7 N N N 0 1.566 1.744 0.258
9 C7 C C8 S N N 0 0.296 0.999 -0.156
10 C6 C C9 N N N 0 -0.931 1.771 0.333
11 O3 O O2 N N N 0 0.296 -0.331 0.439
12 C8 C C10 N N N 0 -0.765 -1.104 0.089
13 O4 O O3 N N N 0 -0.629 -2.282 -0.177
14 C9 C C11 N Y N 0 -2.088 -0.453 0.046
15 C5 C C12 N Y N 0 -2.174 0.939 0.16
16 C4 C C13 N Y N 0 -3.398 1.547 0.114
17 C3 C C14 N Y N 0 -4.555 0.79 -0.042
18 O2 O O4 N N N 0 -5.763 1.407 -0.086
19 C2 C C15 N Y N 0 -4.483 -0.59 -0.154
20 C1 C C16 N Y N 0 -3.25 -1.221 -0.11
21 O1 O O5 N N N 0 -3.168 -2.571 -0.216
22 H1 H H1 N N N 0 4.145 1.975 1.054
23 H2 H H2 N N N 0 3.975 2.829 -0.499
24 H3 H H3 N N N 0 5.198 1.024 -1.65
25 H4 H H4 N N N 0 6.177 1.653 -0.302
26 H5 H H5 N N N 0 6.155 -0.851 -0.37
27 H6 H H6 N N N 0 5.442 -0.213 1.132
28 H7 H H7 N N N 0 3.907 -1.143 -1.339
29 H8 H H8 N N N 0 4.126 -2.286 1.483
30 H9 H H9 N N N 0 3.092 -2.924 0.183
31 H10 H H10 N N N 0 4.863 -2.983 0.021
32 H11 H H11 N N N 0 2.669 0.947 -1.413
33 H12 H H12 N N N 0 1.643 1.755 1.345
34 H13 H H13 N N N 0 1.524 2.768 -0.114
35 H14 H H14 N N N 0 0.262 0.912 -1.242
36 H15 H H15 N N N 0 -0.805 2.017 1.387
37 H16 H H16 N N N 0 -1.03 2.692 -0.242
38 H17 H H17 N N N 0 -3.467 2.621 0.201
39 H18 H H18 N N N 0 -6.043 1.661 -0.976
40 H19 H H19 N N N 0 -5.385 -1.172 -0.274
41 H20 H H20 N N N 0 -3.213 -3.035 0.631