Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 29Y

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 9.124 1.913 -0.039
2 N2 N N2 N N N 0 9.342 0.504 0.314
3 C3 C C3 N N N 0 10.71 0.291 0.806
4 C4 C C4 N N N 0 8.352 0.048 1.298
5 C5 C C5 N Y N 0 6.982 0.052 0.671
6 C6 C C6 N Y N 0 6.194 1.186 0.739
7 C7 C C7 N Y N 0 4.937 1.189 0.164
8 C8 C C8 N Y N 0 4.468 0.059 -0.479
9 C9 C C9 N Y N 0 5.256 -1.074 -0.548
10 C10 C C10 N Y N 0 6.515 -1.076 0.023
11 C11 C C11 S N N 0 3.097 0.062 -1.105
12 C13 C C13 N N N 0 2.713 -1.138 -1.972
13 C14 C C14 S N N 0 2.082 -0.961 -0.59
14 C16 C C16 N N N 0 0.637 -0.539 -0.533
15 O17 O O17 N N N 0 0.315 0.575 -0.889
16 N18 N N18 N N N 0 -0.299 -1.401 -0.088
17 C19 C C19 N Y N 0 -1.629 -1.013 -0.036
18 N20 N N20 N Y N 0 -2.072 0.143 -0.39
19 C21 C C21 N Y N 0 -3.395 0.372 -0.282
20 C22 C C22 N Y N 0 -4.116 1.543 -0.603
21 C23 C C23 N Y N 0 -5.464 1.598 -0.43
22 C24 C C24 N Y N 0 -6.163 0.496 0.069
23 C25 C C25 N Y N 0 -5.477 -0.666 0.391
24 C26 C C26 N Y N 0 -4.098 -0.73 0.217
25 S27 S S27 N Y N 0 -2.951 -2.033 0.515
26 C28 C C28 N Y N 0 -7.635 0.569 0.254
27 C29 C C29 N Y N 0 -8.43 1.643 -0.02
28 N30 N N30 N Y N 0 -9.698 1.301 0.285
29 N32 N N32 N Y N 0 -9.693 -0.017 0.76
30 C33 C C33 N Y N 0 -8.464 -0.461 0.739
31 H1 H H1 N N N 0 9.825 2.205 -0.821
32 H2 H H2 N N N 0 8.103 2.043 -0.4
33 H3 H H3 N N N 0 9.28 2.537 0.841
34 H5 H H5 N N N 0 10.855 0.849 1.731
35 H6 H H6 N N N 0 10.867 -0.771 0.993
36 H7 H H7 N N N 0 11.423 0.637 0.058
37 H8 H H8 N N N 0 8.6 -0.962 1.622
38 H9 H H9 N N N 0 8.36 0.718 2.158
39 H10 H H10 N N N 0 6.56 2.069 1.242
40 H11 H H11 N N N 0 4.321 2.075 0.218
41 H13 H H13 N N N 0 4.89 -1.958 -1.05
42 H14 H H14 N N N 0 7.132 -1.961 -0.034
43 H12 H H12 N N N 0 2.719 1.04 -1.403
44 H16 H H16 N N N 0 2.082 -0.951 -2.841
45 H17 H H17 N N N 0 3.452 -1.931 -2.09
46 H15 H H15 N N N 0 2.407 -1.636 0.202
47 H18 H H18 N N N 0 -0.043 -2.292 0.197
48 H19 H H19 N N N 0 -3.592 2.405 -0.989
49 H20 H H20 N N N 0 -5.999 2.503 -0.679
50 H21 H H21 N N N 0 -6.012 -1.521 0.777
51 H22 H H22 N N N 0 -8.103 2.596 -0.41
52 H31 H H31 N N N 0 -10.479 1.868 0.192
53 H23 H H23 N N N 0 -8.14 -1.444 1.046