Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XT9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 50


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C29 C C1 R N N 0 -1.458 -2.652 -0.615
2 C30 C C2 N N N 0 -0.509 -3.276 0.429
3 C31 C C3 N N N 0 0.748 -2.453 0.718
4 C32 C C4 R N N 0 -1.784 -1.26 -0.146
5 C37 C C8 N N N 0 1.163 1.409 1.365
6 C33 C C5 R N N 0 -0.423 -0.546 -0.12
7 C34 C C6 S N N 0 0.381 -1.012 1.097
8 C36 C C7 S N N 0 1.563 -0.05 1.159
9 C38 C C9 N N N 0 0.384 -0.722 -1.391
10 C39 C C10 N N N 0 1.646 0.147 -1.276
11 C41 C C11 N N N 0 3.619 0.585 0.054
12 C42 C C12 N N N 0 4.576 0.174 -1.068
13 C43 C C13 N N N 0 5.869 0.984 -0.958
14 C44 C C14 N Y N 0 -0.862 0.858 0.081
15 C45 C C15 N Y N 0 -0.132 1.816 0.745
16 C46 C C16 N Y N 0 -0.746 3.053 0.787
17 C47 C C17 N Y N 0 -2.01 3.214 0.236
18 C48 C C18 N Y N 0 -2.753 2.195 -0.362
19 C50 C C19 N Y N 0 -2.156 0.937 -0.426
20 N28 N N1 N N N 0 -2.689 -3.448 -0.711
21 N40 N N2 N N N 0 2.378 -0.194 -0.052
22 O35 O O1 N N N 0 -0.405 -0.973 2.29
23 O49 O O2 N N N 0 -4.0 2.418 -0.858
24 O51 O O3 N N N 0 -2.569 -0.303 -0.837
25 H1 H H1 N N N 0 -0.967 -2.61 -1.587
26 H2 H H2 N N N 0 -1.059 -3.406 1.361
27 H3 H H3 N N N 0 -0.203 -4.26 0.073
28 H4 H H4 N N N 0 1.295 -2.911 1.542
29 H5 H H5 N N N 0 1.38 -2.44 -0.169
30 H6 H H6 N N N 0 -2.15 -1.318 0.879
31 H7 H H7 N N N 0 2.189 -0.346 2.001
32 H8 H H8 N N N 0 1.104 1.598 2.437
33 H9 H H9 N N N 0 1.95 2.04 0.952
34 H15 H H15 N N N 0 3.391 1.647 -0.035
35 H10 H H10 N N N 0 0.667 -1.769 -1.505
36 H11 H H11 N N N 0 -0.206 -0.403 -2.25
37 H12 H H12 N N N 0 2.286 -0.029 -2.141
38 H13 H H13 N N N 0 1.361 1.198 -1.247
39 H14 H H14 N N N 0 4.088 0.393 1.019
40 H16 H H16 N N N 0 4.804 -0.888 -0.98
41 H17 H H17 N N N 0 4.107 0.366 -2.033
42 H18 H H18 N N N 0 5.64 2.046 -1.046
43 H19 H H19 N N N 0 6.337 0.793 0.007
44 H20 H H20 N N N 0 6.55 0.692 -1.757
45 H28 H H28 N N N 0 -4.011 2.688 -1.787
46 H21 H H21 N N N 0 -0.244 3.891 1.248
47 H22 H H22 N N N 0 -2.45 4.2 0.273
48 H23 H H23 N N N 0 -2.49 -4.386 -1.025
49 H24 H H24 N N Y 0 -3.183 -3.458 0.169
50 H27 H H27 N N N 0 0.037 -1.35 3.064