Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : T9I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C7 C C1 N Y N 0 -0.728 0.5 0.291
2 C5 C C2 N Y N 0 -1.501 -0.898 -1.228
3 C4 C C3 R N N 0 -3.202 -0.018 0.415
4 C3 C C4 N N N 0 -6.295 -1.697 -0.537
5 C2 C C5 R N N 0 -5.365 -0.768 0.245
6 C1 C C6 R N N 0 -3.961 1.166 -0.225
7 C6 C C7 N Y N 0 0.311 0.088 -0.56
8 C10 C C8 R N N 0 4.0 0.77 -0.879
9 C18 C C9 N Y N 0 6.901 -1.062 0.46
10 C11 C C10 N N N 0 4.853 0.72 -2.164
11 C12 C C11 N N N 0 6.265 0.429 -1.614
12 C13 C C12 N Y N 0 6.038 -0.294 -0.303
13 C17 C C13 N Y N 0 6.466 -1.633 1.64
14 C14 C C14 N Y N 0 4.735 -0.097 0.121
15 C16 C C15 N Y N 0 5.165 -1.434 2.064
16 C15 C C16 N Y N 0 4.302 -0.669 1.305
17 N N N1 N Y N 0 -1.858 -0.135 -0.157
18 C C C17 S N N 0 -5.417 0.661 -0.34
19 O O O1 N N N 0 -6.294 1.486 0.43
20 C8 C C18 N Y N 0 0.767 1.803 1.454
21 C9 C C19 N Y N 0 1.6 0.598 -0.329
22 N1 N N2 N Y N 0 -0.228 -0.766 -1.464
23 N2 N N3 N Y N 0 -0.456 1.351 1.276
24 N3 N N4 N Y N 0 1.775 1.444 0.68
25 N4 N N5 N N N 0 2.663 0.228 -1.135
26 O1 O O2 N N N 0 -3.895 2.318 0.618
27 O2 O O3 N N N 0 -6.295 -2.992 0.068
28 O3 O O4 N N N 0 -3.991 -1.183 0.087
29 H1 H H1 N N N 0 -2.176 -1.52 -1.798
30 H2 H H2 N N N 0 -3.144 0.109 1.496
31 H3 H H3 N N N 0 -7.307 -1.292 -0.526
32 H4 H H4 N N N 0 -5.947 -1.778 -1.567
33 H5 H H5 N N N 0 -5.641 -0.756 1.3
34 H6 H H6 N N N 0 -3.556 1.39 -1.212
35 H7 H H7 N N N 0 3.928 1.793 -0.512
36 H8 H H8 N N N 0 7.918 -1.216 0.13
37 H9 H H9 N N N 0 4.519 -0.084 -2.82
38 H10 H H10 N N N 0 4.826 1.678 -2.684
39 H11 H H11 N N N 0 6.817 -0.207 -2.306
40 H12 H H12 N N N 0 6.805 1.361 -1.445
41 H13 H H13 N N N 0 7.143 -2.231 2.232
42 H14 H H14 N N N 0 4.824 -1.88 2.987
43 H15 H H15 N N N 0 3.285 -0.515 1.637
44 H16 H H16 N N N 0 -5.731 0.636 -1.383
45 H17 H H17 N N N 0 -7.221 1.214 0.394
46 H18 H H18 N N N 0 0.953 2.493 2.264
47 H19 H H19 N N N 0 2.523 -0.391 -1.869
48 H20 H H20 N N N 0 -4.355 3.091 0.264
49 H21 H H21 N N N 0 -6.864 -3.634 -0.376