Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 826

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 52


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O01 O O01 N N N 0 8.245 2.826 -8.302
2 C02 C C02 N Y N 0 8.265 2.007 -7.215
3 C03 C C03 N Y N 0 9.089 2.308 -6.131
4 C04 C C04 N Y N 0 9.109 1.469 -5.017
5 C05 C C05 N Y N 0 8.306 0.333 -4.991
6 C06 C C06 N Y N 0 7.482 0.028 -6.071
7 C07 C C07 N Y N 0 7.461 0.867 -7.186
8 C08 C C08 N N N 0 8.327 -0.552 -3.816
9 O09 O O09 N N N 0 9.155 -1.462 -3.833
10 N10 N N10 N N N 0 7.425 -0.293 -2.777
11 C11 C C11 N N N 0 7.474 -1.132 -1.56
12 C12 C C12 N N N 0 6.121 -1.809 -1.282
13 C13 C C13 N Y N 0 5.023 -0.812 -1.402
14 C14 C C14 N Y N 0 5.197 0.365 -2.099
15 C15 C C15 N N N 0 6.436 0.816 -2.785
16 N16 N N16 N Y N 0 4.031 1.073 -2.046
17 C17 C C17 N Y N 0 3.091 0.368 -1.325
18 C18 C C18 N Y N 0 3.69 -0.826 -0.908
19 C19 C C19 N Y N 0 2.929 -1.736 -0.146
20 C20 C C20 N Y N 0 1.603 -1.421 0.17
21 C21 C C21 N Y N 0 1.032 -0.224 -0.258
22 C22 C C22 N Y N 0 1.766 0.694 -1.014
23 C23 C C23 N N N 0 3.809 2.368 -2.656
24 C24 C C24 N Y N 0 4.156 3.487 -1.712
25 C25 C C25 N Y N 0 5.448 3.994 -1.697
26 C26 C C26 N Y N 0 5.769 5.031 -0.821
27 C27 C C27 N Y N 0 4.795 5.551 0.032
28 O28 O O28 N N N 0 5.108 6.561 0.888
29 C29 C C29 N Y N 0 3.5 5.033 0.009
30 C30 C C30 N Y N 0 3.178 3.996 -0.867
31 HO1 H HO1 N N N 0 8.9 3.535 -8.201
32 HC3 H HC3 N N N 0 9.716 3.195 -6.148
33 HC4 H HC4 N N N 0 9.755 1.714 -4.177
34 HC6 H HC6 N N N 0 6.852 -0.857 -6.059
35 HC7 H HC7 N N N 0 6.817 0.628 -8.027
36 H111 H 1H11 N N N 0 7.747 -0.468 -0.731
37 H112 H 2H11 N N N 0 8.258 -1.891 -1.642
38 H121 H 1H12 N N N 0 6.131 -2.264 -0.286
39 H122 H 2H12 N N N 0 5.952 -2.608 -2.015
40 H151 H 1H15 N N N 0 6.22 1.128 -3.811
41 H152 H 2H15 N N N 0 6.889 1.655 -2.247
42 H19 H H19 N N N 0 3.36 -2.673 0.194
43 H20 H H20 N N N 0 1.012 -2.119 0.758
44 H21 H H21 N N N 0 0.0 0.0 0.0
45 H22 H H22 N N N 0 1.319 1.625 -1.348
46 H231 H 1H23 N N N 0 2.76 2.424 -2.969
47 H232 H 2H23 N N N 0 4.411 2.422 -3.572
48 H25 H H25 N N N 0 6.213 3.596 -2.357
49 H26 H H26 N N N 0 6.779 5.43 -0.807
50 H28 H H28 N N N 0 4.748 6.379 1.77
51 H29 H H29 N N N 0 2.736 5.433 0.671
52 H30 H H30 N N N 0 2.167 3.599 -0.878