Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CCD

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 30


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O7 O O7 N N N 0 2.79 1.334 -0.095
2 C5 C C5 R N N 0 2.688 -0.019 0.355
3 C6 C C6 N N N 0 3.959 -0.78 -0.029
4 C4 C C4 N N N 0 1.477 -0.685 -0.3
5 C3 C C3 N N N 0 0.196 0.0 0.182
6 C2 C C2 N N N 0 -1.016 -0.666 -0.473
7 N1 N N1 N N N 1 -2.245 -0.01 -0.01
8 C9 C C9 N N N 0 -2.209 1.412 -0.379
9 C10 C C10 N N N 0 -3.409 -0.649 -0.639
10 C8 C C8 N N N 0 -2.347 -0.135 1.45
11 HO7 H HO7 N N N 0 2.894 1.302 -1.056
12 HXT H HXT N N N 0 2.569 -0.033 1.438
13 H61 H 1H6 N N N 0 4.822 -0.306 0.438
14 H62 H 2H6 N N N 0 3.881 -1.812 0.315
15 H63 H 3H6 N N N 0 4.078 -0.766 -1.112
16 H41 H 1H4 N N N 0 1.553 -0.592 -1.384
17 H42 H 2H4 N N N 0 1.45 -1.739 -0.027
18 H31 H 1H3 N N N 0 0.12 -0.093 1.265
19 H32 H 2H3 N N N 0 0.223 1.054 -0.091
20 H21 H 1H2 N N N 0 -0.94 -0.574 -1.557
21 H22 H 2H2 N N N 0 -1.042 -1.721 -0.2
22 H91 H 1H9 N N N 0 -2.134 1.505 -1.462
23 H92 H 2H9 N N N 0 -3.122 1.9 -0.035
24 H93 H 3H9 N N N 0 -1.346 1.887 0.088
25 H101 H 1H10 N N N 0 -3.435 -1.704 -0.366
26 H102 H 2H10 N N N 0 -4.321 -0.162 -0.296
27 H103 H 3H10 N N N 0 -3.333 -0.556 -1.723
28 H81 H 1H8 N N N 0 -1.484 0.34 1.916
29 H82 H 2H8 N N N 0 -3.26 0.353 1.793
30 H83 H 3H8 N N N 0 -2.374 -1.19 1.723