Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IUY

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 -1.16 1.507 -0.328
2 C2 C C2 R N N 0 -1.897 1.081 0.911
3 C3 C C3 N N N 0 0.181 1.53 -0.405
4 N4 N N4 N N N 0 0.966 1.172 0.664
5 C5 C C5 N N N 0 0.839 1.958 -1.692
6 C6 C C6 N Y N 0 -2.513 -0.276 0.687
7 C7 C C7 N Y N 0 -3.884 -0.434 0.782
8 C8 C C8 N Y N 0 -4.455 -1.674 0.577
9 C9 C C9 N Y N 0 -3.645 -2.77 0.273
10 C10 C C10 N Y N 0 -2.262 -2.603 0.179
11 C11 C C11 N Y N 0 -1.705 -1.357 0.381
12 C12 C C12 N N N 0 -1.91 1.894 -1.462
13 O13 O O13 N N N 0 -1.342 2.324 -2.449
14 O14 O O14 N N N 0 -3.255 1.787 -1.449
15 C15 C C15 N N N 0 -3.949 2.197 -2.63
16 C16 C C16 N N N 0 -5.454 2.004 -2.429
17 C17 C C17 N N N 0 -4.23 -4.059 0.06
18 N18 N N18 N N N 0 -4.694 -5.082 -0.109
19 N19 N N19 N Y N 1 -0.966 1.013 2.042
20 C20 C C20 N Y N 0 0.345 1.053 1.904
21 N21 N N21 N Y N 0 0.914 0.962 3.127
22 C22 C C22 N Y N 0 -0.113 0.869 4.04
23 C23 C C23 N Y N 0 -1.265 0.903 3.342
24 C24 C C24 N Y N 0 2.336 0.936 0.512
25 C25 C C25 N Y N 0 3.259 1.804 1.082
26 C26 C C26 N Y N 0 4.612 1.568 0.93
27 C27 C C27 N Y N 0 5.047 0.47 0.211
28 C28 C C28 N Y N 0 4.131 -0.396 -0.357
29 C29 C C29 N Y N 0 2.777 -0.169 -0.204
30 C30 C C30 N N N 0 4.61 -1.591 -1.14
31 F31 F F31 N N N 0 6.009 -1.611 -1.151
32 F32 F F32 N N N 0 4.131 -2.762 -0.543
33 F33 F F33 N N N 0 4.135 -1.51 -2.453
34 H2 H H2 N N N 0 -2.683 1.803 1.133
35 H5 H H5 N N N 0 0.567 2.99 -1.914
36 H5A H H5A N N N 0 1.921 1.881 -1.59
37 H5B H H5B N N N 0 0.504 1.311 -2.503
38 H7 H H7 N N N 0 -4.51 0.414 1.017
39 H8 H H8 N N N 0 -5.525 -1.796 0.652
40 H10 H H10 N N N 0 -1.629 -3.447 -0.055
41 H11 H H11 N N N 0 -0.636 -1.226 0.305
42 H15 H H15 N N N 0 -3.741 3.248 -2.827
43 H15A H H15A N N N 0 -3.615 1.595 -3.475
44 H16 H H16 N N N 0 -5.662 0.952 -2.232
45 H16A H H16A N N N 0 -5.788 2.605 -1.584
46 H16B H H16B N N N 0 -5.983 2.316 -3.329
47 HN21 H HN21 N N N 0 1.863 0.962 3.325
48 H22 H H22 N N N 0 -0.014 0.785 5.112
49 H23 H H23 N N N 0 -2.259 0.851 3.76
50 H25 H H25 N N N 0 2.92 2.662 1.643
51 H26 H H26 N N N 0 5.33 2.242 1.373
52 H27 H H27 N N N 0 6.105 0.288 0.093
53 H29 H H29 N N N 0 2.062 -0.848 -0.645