Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 9D8

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 2.004 1.363 -0.282
2 C2 C C2 N N N 0 2.473 1.443 1.172
3 O2 O O1 N N N 0 -3.206 -2.223 1.908
4 C4 C C3 N N N 0 4.137 0.817 -1.545
5 C5 C C4 N Y N 0 5.205 0.575 -0.51
6 C7 C C5 N Y N 0 6.847 -0.86 0.479
7 C8 C C6 N Y N 0 7.166 0.131 1.389
8 C9 C C7 N Y N 0 6.495 1.339 1.357
9 C10 C C8 N Y N 0 5.519 1.563 0.404
10 C11 C C9 N Y N 0 1.041 -1.245 -0.774
11 C12 C C10 N Y N 0 0.463 -0.662 0.355
12 C13 C C11 N Y N 0 -0.812 -1.023 0.738
13 C14 C C12 N Y N 0 -1.518 -1.96 0.005
14 C15 C C13 N Y N 0 -4.111 0.03 0.2
15 C16 C C14 N Y N 0 -4.123 1.019 -0.775
16 C17 C C15 N Y N 0 -4.053 2.35 -0.408
17 C18 C C16 N Y N 0 -3.971 2.697 0.929
18 C19 C C17 N Y N 0 -3.959 1.714 1.902
19 C20 C C18 N Y N 0 -4.03 0.383 1.542
20 C21 C C19 N Y N 0 -0.951 -2.542 -1.115
21 C22 C C20 N Y N 0 0.321 -2.185 -1.512
22 S S S1 N N N 0 -3.146 -2.416 0.501
23 O1 O O2 N N N 0 -3.423 -3.661 -0.125
24 N1 N N1 N N N 0 -4.188 -1.315 -0.167
25 CL CL CL1 N N N 0 -4.067 3.587 -1.625
26 C C C21 N N N 0 2.407 -0.862 -1.19
27 O O O3 N N N 0 3.143 -1.689 -1.694
28 N N N2 N N N 0 2.837 0.403 -1.011
29 C3 C C22 N N N 0 1.508 2.323 1.97
30 C6 C C23 N Y N 0 5.867 -0.638 -0.47
31 H1 H H1 N N N 0 0.965 1.038 -0.312
32 H2 H H2 N N N 0 2.092 2.345 -0.747
33 H3 H H3 N N N 0 2.493 0.442 1.603
34 H4 H H4 N N N 0 3.473 1.875 1.208
35 H5 H H5 N N N 0 4.106 1.878 -1.794
36 H6 H H6 N N N 0 4.362 0.24 -2.441
37 H7 H H7 N N N 0 7.365 -1.808 0.51
38 H8 H H8 N N N 0 7.931 -0.043 2.13
39 H9 H H9 N N N 0 6.743 2.113 2.068
40 H10 H H10 N N N 0 5.002 2.511 0.374
41 H11 H H11 N N N 0 1.014 0.07 0.928
42 H12 H H12 N N N 0 -1.26 -0.573 1.611
43 H13 H H13 N N N 0 -4.186 0.748 -1.818
44 H14 H H14 N N N 0 -3.915 3.737 1.214
45 H15 H H15 N N N 0 -3.894 1.988 2.945
46 H16 H H16 N N N 0 -4.02 -0.384 2.302
47 H17 H H17 N N N 0 -1.508 -3.274 -1.682
48 H18 H H18 N N N 0 0.761 -2.637 -2.389
49 H19 H H19 N N N 0 -4.852 -1.605 -0.812
50 H20 H H20 N N N 0 0.508 1.891 1.934
51 H21 H H21 N N N 0 1.841 2.38 3.006
52 H22 H H22 N N N 0 1.487 3.324 1.539
53 H23 H H23 N N N 0 5.619 -1.412 -1.181