Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : NY9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 58


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O2 O O1 N N N 0 -0.79 -2.393 -1.331
2 C9 C C1 N N N 0 -1.481 -1.432 -1.045
3 O O O2 N N N 0 -2.775 -1.622 -0.745
4 C8 C C2 N Y N 0 -3.583 -0.59 -0.421
5 C22 C C3 N Y N 0 -4.917 -0.804 -0.114
6 C4 C C4 N Y N 0 -5.73 0.271 0.216
7 N N N1 N N N 0 -7.069 0.056 0.524
8 C2 C C5 N N N 0 -7.932 1.187 0.873
9 C3 C C6 N N N 0 -8.579 1.746 -0.396
10 C1 C C7 N N N 0 -7.617 -1.303 0.499
11 C C C8 N N N 0 -7.462 -1.941 1.881
12 C10 C C9 N N N 0 -0.899 -0.148 -1.032
13 C20 C C10 N N N 0 -1.657 0.935 -0.714
14 C21 C C11 N N N 0 -1.059 2.318 -0.694
15 C7 C C12 N Y N 0 -3.069 0.721 -0.393
16 C6 C C13 N Y N 0 -3.902 1.794 -0.058
17 C5 C C14 N Y N 0 -5.213 1.567 0.242
18 C11 C C15 N N N 0 0.56 0.023 -1.369
19 C12 C C16 N N N 0 1.404 -0.211 -0.115
20 N1 N N2 N N N 0 2.822 -0.044 -0.443
21 C13 C C17 N N N 0 3.758 -0.204 0.514
22 O1 O O3 N N N 0 3.425 -0.486 1.649
23 N2 N N3 N N N 0 5.063 -0.05 0.213
24 C14 C C18 N N N 0 6.08 -0.224 1.252
25 C15 C C19 N Y N 0 7.447 0.001 0.66
26 C19 C C20 N Y N 0 8.157 -1.057 0.111
27 C18 C C21 N Y N 0 9.411 -0.804 -0.423
28 C17 C C22 N Y N 0 9.909 0.485 -0.391
29 N3 N N4 N Y N 0 9.206 1.467 0.14
30 C16 C C23 N Y N 0 8.007 1.264 0.651
31 H1 H H1 N N N 0 -5.323 -1.805 -0.132
32 H2 H H2 N N N 0 -8.71 0.853 1.56
33 H3 H H3 N N N 0 -7.336 1.965 1.35
34 H4 H H4 N N N 0 -9.221 2.588 -0.136
35 H5 H H5 N N N 0 -7.801 2.08 -1.083
36 H6 H H6 N N N 0 -9.175 0.968 -0.873
37 H7 H H7 N N N 0 -8.674 -1.264 0.234
38 H8 H H8 N N N 0 -7.079 -1.898 -0.238
39 H9 H H9 N N N 0 -7.869 -2.952 1.863
40 H10 H H10 N N N 0 -6.405 -1.98 2.147
41 H11 H H11 N N N 0 -8.0 -1.345 2.619
42 H12 H H12 N N N 0 -1.159 2.772 -1.68
43 H13 H H13 N N N 0 -1.583 2.929 0.042
44 H14 H H14 N N N 0 -0.004 2.254 -0.428
45 H15 H H15 N N N 0 -3.508 2.8 -0.037
46 H16 H H16 N N N 0 -5.856 2.396 0.5
47 H17 H H17 N N N 0 0.842 -0.697 -2.137
48 H18 H H18 N N N 0 0.731 1.035 -1.739
49 H19 H H19 N N N 0 1.121 0.51 0.653
50 H20 H H20 N N N 0 1.233 -1.222 0.255
51 H21 H H21 N N N 0 3.087 0.182 -1.348
52 H22 H H22 N N N 0 5.328 0.175 -0.693
53 H23 H H23 N N N 0 5.908 0.496 2.052
54 H24 H H24 N N N 0 6.02 -1.235 1.654
55 H25 H H25 N N N 0 7.742 -2.054 0.1
56 H26 H H26 N N N 0 9.992 -1.604 -0.858
57 H27 H H27 N N N 0 10.885 0.691 -0.805
58 H28 H H28 N N N 0 7.459 2.094 1.072