Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 288

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 C1 C C1 N Y N 0 3.624 -0.155 -0.568
2 C2 C C2 N Y N 0 3.031 -0.302 0.702
3 C3 C C3 N Y N 0 2.593 -0.314 -1.526
4 C4 C C4 N Y N 0 4.998 0.095 -0.667
5 N5 N N5 N Y N 0 1.69 -0.536 0.504
6 C6 C C6 N Y N 0 3.822 -0.197 1.842
7 C7 C C7 N Y N 0 1.434 -0.538 -0.853
8 C8 C C8 N Y N 0 5.754 0.194 0.466
9 C9 C C9 N Y N 0 5.171 0.048 1.72
10 C10 C C10 N N N 0 0.117 -0.754 -1.471
11 CL11 CL CL11 N N N 0 7.457 0.504 0.34
12 N12 N N12 N N N 0 -0.964 -0.973 -0.697
13 O13 O O13 N N N 0 0.004 -0.735 -2.682
14 C14 C C14 N N N 0 -2.275 -1.188 -1.313
15 C15 C C15 R N N 0 -3.34 -1.297 -0.22
16 N16 N N16 N N N 0 -3.282 -0.108 0.641
17 O17 O O17 N N N 0 -3.099 -2.466 0.566
18 C18 C C18 N N N 0 -3.927 0.983 -0.102
19 C19 C C19 N N N 0 -4.134 -0.387 1.804
20 C20 C C20 N N N 0 -4.308 2.123 0.859
21 C21 C C21 N N N 0 -2.94 1.582 -1.125
22 C22 C C22 N N N 0 -5.595 -0.476 1.358
23 C23 C C23 N N N 0 -3.539 3.374 0.387
24 C24 C C24 N N N 0 -3.25 3.099 -1.11
25 O25 O O25 N N N 0 -5.773 -1.635 0.541
26 H3 H H3 N N N 0 2.707 -0.266 -2.598
27 H4 H H4 N N N 0 5.459 0.209 -1.637
28 HN5 H HN5 N N N 0 1.033 -0.677 1.204
29 H6 H H6 N N N 0 3.378 -0.308 2.821
30 H9 H H9 N N N 0 5.783 0.129 2.606
31 H12 H H12 N N N 0 -0.873 -0.988 0.269
32 H141 H 1H14 N N N 0 -2.256 -2.109 -1.895
33 H142 H 2H14 N N N 0 -2.511 -0.349 -1.968
34 H15 H H15 N N N 0 -4.326 -1.365 -0.679
35 H17 H H17 N N N 0 -2.256 -2.328 1.02
36 H18 H H18 N N N 0 -4.816 0.612 -0.613
37 H191 H 1H19 N N N 0 -4.026 0.415 2.535
38 H192 H 2H19 N N N 0 -3.834 -1.332 2.256
39 H201 H 1H20 N N N 0 -5.382 2.305 0.814
40 H202 H 2H20 N N N 0 -4.015 1.866 1.877
41 H211 H 1H21 N N N 0 -1.911 1.4 -0.814
42 H212 H 2H21 N N N 0 -3.119 1.166 -2.117
43 H221 H 1H22 N N N 0 -5.855 0.415 0.786
44 H222 H 2H22 N N N 0 -6.239 -0.546 2.234
45 H231 H 1H23 N N N 0 -4.156 4.265 0.499
46 H232 H 2H23 N N N 0 -2.608 3.481 0.942
47 H241 H 1H24 N N N 0 -4.126 3.32 -1.72
48 H242 H 2H24 N N N 0 -2.387 3.673 -1.448
49 H25 H H25 N N N 0 -6.705 -1.653 0.282