Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CC9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 47


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O1 O O1 N N N 0 1.119 1.567 -0.001
2 C1 C C1 N N N 0 1.23 0.357 -0.007
3 C2 C C2 N N N 0 2.509 -0.232 -0.008
4 C3 C C3 N N N 0 3.616 0.551 -0.007
5 C4 C C4 N Y N 0 4.949 -0.063 -0.008
6 C10 C C10 N Y N 0 6.094 0.743 -0.007
7 C8 C C8 N Y N 0 7.345 0.16 -0.008
8 O3 O O3 N N N 0 8.459 0.939 -0.007
9 C9 C C9 N N N 0 8.26 2.355 -0.006
10 C7 C C7 N Y N 0 7.467 -1.23 -0.009
11 O2 O O2 N N N 0 8.699 -1.802 -0.01
12 C6 C C6 N Y N 0 6.332 -2.031 -0.009
13 C5 C C5 N Y N 0 5.08 -1.458 -0.003
14 C11 C C11 N N N 0 0.0 -0.513 -0.008
15 C12 C C12 N N N 0 -1.23 0.357 0.0
16 O4 O O4 N N N 0 -1.119 1.567 0.005
17 C13 C C13 N N N 0 -2.509 -0.232 0.001
18 C14 C C14 N N N 0 -3.616 0.551 0.008
19 C15 C C15 N Y N 0 -4.949 -0.063 0.009
20 C16 C C16 N Y N 0 -6.094 0.743 0.01
21 C17 C C17 N Y N 0 -7.345 0.16 0.01
22 O5 O O5 N N N 0 -8.459 0.94 0.012
23 C20 C C20 N Y N 0 -6.332 -2.031 0.008
24 C18 C C18 N N N 0 -8.26 2.355 0.012
25 C19 C C19 N Y N 0 -7.467 -1.23 0.009
26 O6 O O6 N N N 0 -8.699 -1.801 0.009
27 H3 H H3 N N N 0 5.999 1.819 -0.007
28 C21 C C21 N Y N 0 -5.08 -1.458 0.003
29 H1 H H1 N N N 0 2.608 -1.307 -0.008
30 H2 H H2 N N N 0 3.517 1.626 -0.007
31 H4 H H4 N N N 0 7.701 2.644 -0.896
32 H5 H H5 N N N 0 7.701 2.642 0.884
33 H6 H H6 N N N 0 9.228 2.857 -0.005
34 H7 H H7 N N N 0 9.056 -1.968 0.874
35 H8 H H8 N N N 0 6.432 -3.106 -0.01
36 H9 H H9 N N N 0 4.2 -2.083 -0.003
37 H10 H H10 N N N 0 -0.003 -1.138 -0.9
38 H11 H H11 N N N 0 0.003 -1.146 0.879
39 H13 H H13 N N N 0 -2.608 -1.307 -0.004
40 H14 H H14 N N N 0 -3.517 1.626 0.012
41 H16 H H16 N N N 0 -5.999 1.819 0.011
42 H17 H H17 N N N 0 -7.702 2.644 -0.878
43 H18 H H18 N N N 0 -9.228 2.857 0.013
44 H22 H H22 N N N 0 -4.2 -2.083 -0.002
45 H19 H H19 N N N 0 -7.701 2.643 0.902
46 H20 H H20 N N N 0 -9.056 -1.966 -0.874
47 H21 H H21 N N N 0 -6.432 -3.106 0.007