Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : T88

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 61


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N Y N 0 6.192 -2.205 0.176
2 C02 C C2 N Y N 0 7.316 -1.614 -0.375
3 C03 C C3 N Y N 0 7.196 -0.436 -1.091
4 C04 C C4 N Y N 0 5.956 0.15 -1.255
5 C05 C C5 N Y N 0 4.833 -0.44 -0.704
6 C06 C C6 N Y N 0 4.95 -1.62 0.007
7 C07 C C7 N N N 0 3.48 0.197 -0.888
8 C08 C C8 N N N 0 3.211 1.165 0.266
9 N09 N N1 N N N 0 1.949 1.877 0.024
10 C10 C C9 N N N 0 1.879 3.109 0.822
11 C11 C C10 N N N 0 2.777 4.176 0.193
12 C12 C C11 N N N 0 2.606 5.496 0.947
13 C13 C C12 N N N 0 3.504 6.563 0.318
14 C14 C C13 N N N 0 0.795 1.009 0.292
15 C15 C C14 R N N 0 -0.482 1.691 -0.203
16 C16 C C15 N N N 0 -1.696 0.846 0.187
17 O17 O O1 N N N 0 -2.894 1.538 -0.172
18 C18 C C16 N Y N 0 -4.072 0.919 0.108
19 C19 C C17 N Y N 0 -4.073 -0.325 0.721
20 C20 C C18 N Y N 0 -5.269 -0.953 1.006
21 C21 C C19 N Y N 0 -6.471 -0.34 0.678
22 C22 C C20 N Y N 0 -6.469 0.906 0.065
23 C23 C C21 N Y N 0 -5.272 1.536 -0.215
24 N24 N N2 N N N 0 -7.683 -0.976 0.966
25 S25 S S1 N N N 0 -8.57 -1.661 -0.254
26 C26 C C22 N N N 0 -7.504 -2.977 -0.904
27 O27 O O2 N N N 0 -9.701 -2.214 0.403
28 O28 O O3 N N N 0 -8.714 -0.618 -1.209
29 O29 O O4 N N N 0 -0.43 1.823 -1.625
30 CL1 CL CL1 N N N 0 8.874 -2.351 -0.168
31 CL2 CL CL2 N N N 0 6.34 -3.684 1.074
32 H1 H H1 N N N 0 8.073 0.025 -1.521
33 H2 H H2 N N N 0 5.863 1.069 -1.813
34 H9 H H9 N N N 0 0.85 3.468 0.845
35 H3 H H3 N N N 0 4.073 -2.08 0.437
36 H4 H H4 N N N 0 3.461 0.743 -1.831
37 H5 H H5 N N N 0 2.713 -0.577 -0.9
38 H6 H H6 N N N 0 3.139 0.606 1.199
39 H7 H H7 N N N 0 4.027 1.884 0.335
40 H10 H H10 N N N 0 2.215 2.903 1.838
41 H11 H H11 N N N 0 3.818 3.856 0.252
42 H12 H H12 N N N 0 2.499 4.315 -0.852
43 H13 H H13 N N N 0 1.566 5.816 0.887
44 H14 H H14 N N N 0 2.884 5.356 1.991
45 H15 H H15 N N N 0 3.226 6.702 -0.727
46 H16 H H16 N N N 0 3.382 7.503 0.855
47 H17 H H17 N N N 0 4.545 6.243 0.377
48 H18 H H18 N N N 0 0.925 0.06 -0.227
49 H19 H H19 N N N 0 0.717 0.829 1.365
50 H20 H H20 N N N 0 -0.566 2.679 0.25
51 H21 H H21 N N N 0 -1.657 -0.109 -0.337
52 H22 H H22 N N N 0 -1.686 0.671 1.263
53 H23 H H23 N N N 0 -3.138 -0.802 0.975
54 H24 H H24 N N N 0 -5.27 -1.922 1.483
55 H25 H H25 N N N 0 -7.403 1.384 -0.191
56 H26 H H26 N N N 0 -5.27 2.506 -0.688
57 H27 H H27 N N N 0 -8.005 -1.017 1.881
58 H28 H H28 N N N 0 -7.356 -3.736 -0.137
59 H29 H H29 N N N 0 -7.977 -3.429 -1.776
60 H30 H H30 N N N 0 -6.54 -2.556 -1.19
61 H31 H H31 N N N 0 -0.355 0.981 -2.096