Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : C6H

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 62


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N N N 0 4.201 -2.684 2.04
2 O02 O O1 N N N 0 4.495 -2.349 0.683
3 C03 C C2 N Y N 0 4.429 -1.038 0.345
4 C04 C C3 N Y N 0 3.226 -0.483 -0.111
5 C05 C C4 N N N 0 2.03 -1.321 -0.231
6 O06 O O2 N N N 0 2.081 -2.496 0.064
7 C07 C C5 N N N 0 0.737 -0.722 -0.722
8 C08 C C6 N N N 0 -0.345 -1.803 -0.754
9 C09 C C7 N N N 0 -1.658 -1.196 -1.252
10 C10 C C8 N N N 0 -2.708 -2.3 -1.403
11 C11 C C9 N N N 0 -4.036 -1.679 -1.843
12 N12 N N1 N N N 0 -4.473 -0.696 -0.843
13 C13 C C10 N N N 0 -5.81 -0.18 -1.162
14 C14 C C11 N N N 0 -6.334 0.642 0.017
15 C15 C C12 N N N 0 -7.672 1.283 -0.362
16 C16 C C13 N N N 0 -8.196 2.104 0.818
17 C17 C C14 N N N 0 -8.393 1.19 2.029
18 C18 C C15 N N N 0 -7.056 0.55 2.408
19 C19 C C16 N N N 0 -6.532 -0.272 1.228
20 C20 C C17 N N N 0 -3.503 0.399 -0.715
21 C21 C C18 N N N 0 -2.159 -0.161 -0.241
22 C22 C C19 N Y N 0 3.168 0.881 -0.453
23 C23 C C20 N Y N 0 4.271 1.671 -0.346
24 CL CL CL1 N N N 0 4.174 3.35 -0.774
25 C25 C C21 N Y N 0 5.482 1.139 0.107
26 N26 N N2 N Y N 0 6.727 1.681 0.313
27 C27 C C22 N Y N 0 7.585 0.72 0.774
28 C28 C C23 N Y N 0 6.942 -0.453 0.882
29 C29 C C24 N Y N 0 5.56 -0.222 0.454
30 H1 H H1 N N N 0 4.29 -3.762 2.175
31 H2 H H2 N N N 0 4.904 -2.176 2.7
32 H3 H H3 N N N 0 3.185 -2.371 2.28
33 H4 H H4 N N N 0 0.43 0.08 -0.051
34 H5 H H5 N N N 0 0.88 -0.322 -1.726
35 H6 H H6 N N N 0 -0.038 -2.605 -1.425
36 H7 H H7 N N N 0 -0.488 -2.204 0.25
37 H8 H H8 N N N 0 -1.494 -0.715 -2.217
38 H9 H H9 N N N 0 -2.376 -3.018 -2.153
39 H10 H H10 N N N 0 -2.843 -2.807 -0.448
40 H11 H H11 N N N 0 -3.904 -1.183 -2.805
41 H12 H H12 N N N 0 -4.789 -2.461 -1.937
42 H14 H H14 N N N 0 -5.754 0.452 -2.049
43 H15 H H15 N N N 0 -6.486 -1.014 -1.352
44 H16 H H16 N N N 0 -5.615 1.423 0.264
45 H17 H H17 N N N 0 -7.531 1.934 -1.224
46 H18 H H18 N N N 0 -8.391 0.502 -0.609
47 H19 H H19 N N N 0 -7.476 2.885 1.065
48 H20 H H20 N N N 0 -9.148 2.561 0.548
49 H21 H H21 N N N 0 -8.766 1.776 2.869
50 H22 H H22 N N N 0 -9.112 0.41 1.781
51 H23 H H23 N N N 0 -6.336 1.331 2.655
52 H24 H H24 N N N 0 -7.196 -0.101 3.27
53 H25 H H25 N N N 0 -7.251 -1.052 0.981
54 H26 H H26 N N N 0 -5.579 -0.728 1.498
55 H27 H H27 N N N 0 -3.373 0.884 -1.682
56 H28 H H28 N N N 0 -3.869 1.126 0.01
57 H29 H H29 N N N 0 -2.285 -0.634 0.732
58 H30 H H30 N N N 0 -1.435 0.65 -0.162
59 H31 H H31 N N N 0 2.239 1.305 -0.805
60 H32 H H32 N N N 0 6.963 2.608 0.154
61 H33 H H33 N N N 0 8.626 0.881 1.015
62 H34 H H34 N N N 0 7.363 -1.389 1.219