Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 1R9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 46


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 -2.614 2.524 0.438
2 C2 C C2 N Y N 0 -2.12 1.283 0.051
3 C3 C C3 N Y N 0 -2.994 0.236 -0.198
4 C4 C C4 N Y N 0 -4.368 0.433 -0.058
5 C5 C C5 N Y N 0 -4.854 1.683 0.33
6 C6 C C6 N Y N 0 -3.975 2.717 0.58
7 C7 C C7 N N N 0 -1.661 3.66 0.708
8 C8 C C8 N N N 0 -5.307 -0.678 -0.322
9 N9 N N9 N N N 0 -6.634 -0.485 -0.187
10 O10 O O10 N N N 0 -4.883 -1.765 -0.661
11 C11 C C11 N N N 0 -7.565 -1.586 -0.449
12 C12 C C12 N N N 0 -8.995 -1.222 -0.854
13 C13 C C13 N N N 0 -8.715 -1.789 0.54
14 C14 C C14 N N N 0 -0.192 -0.098 0.231
15 C15 C C15 N Y N 0 1.263 -0.269 0.181
16 C16 C C16 N Y N 0 1.951 -1.416 0.472
17 N17 N N17 N Y N 0 3.247 -1.305 0.35
18 C18 C C18 N Y N 0 3.715 -0.147 -0.024
19 S19 S S19 N Y N 0 2.439 0.963 -0.271
20 C20 C C20 N Y N 0 5.147 0.161 -0.213
21 C21 C C21 N Y N 0 5.543 1.439 -0.611
22 C22 C C22 N Y N 0 6.882 1.72 -0.785
23 C23 C C23 N Y N 0 7.833 0.739 -0.568
24 C24 C C24 N Y N 0 7.449 -0.53 -0.174
25 C25 C C25 N Y N 0 6.112 -0.824 0.01
26 N26 N N26 N N N 0 -0.742 1.091 -0.087
27 O27 O O27 N N N 0 -0.903 -1.029 0.56
28 CL1 CL CL1 N N N 0 5.632 -2.415 0.511
29 H1 H H1 N N N 0 -2.613 -0.728 -0.498
30 H2 H H2 N N N 0 -5.917 1.84 0.438
31 H3 H H3 N N N 0 -4.352 3.684 0.881
32 H4 H H4 N N N 0 -1.49 4.218 -0.213
33 H5 H H5 N N N 0 -2.09 4.323 1.459
34 H6 H H6 N N N 0 -0.714 3.261 1.072
35 H10 H H10 N N N 0 -9.495 -1.872 -1.571
36 H7 H H7 N N N 0 -6.973 0.383 0.083
37 H8 H H8 N N N 0 -7.125 -2.476 -0.899
38 H9 H H9 N N N 0 -9.243 -0.163 -0.927
39 H11 H H11 N N N 0 -9.032 -2.812 0.74
40 H12 H H12 N N N 0 -8.779 -1.103 1.385
41 H13 H H13 N N N 0 1.465 -2.332 0.776
42 H14 H H14 N N N 0 4.802 2.207 -0.782
43 H15 H H15 N N N 0 7.189 2.709 -1.093
44 H16 H H16 N N N 0 8.88 0.965 -0.706
45 H17 H H17 N N N 0 8.196 -1.292 -0.007
46 H18 H H18 N N N 0 -0.182 1.813 -0.412