Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : J0T

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 65


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C02 C C1 N Y N 0 -7.284 1.672 -0.057
2 C03 C C2 N Y N 0 -6.764 2.425 -1.107
3 C05 C C3 N Y N 0 -8.793 3.694 -1.2
4 C06 C C4 N Y N 0 -9.316 2.948 -0.156
5 C08 C C5 N Y N 0 -6.472 0.593 0.559
6 C12 C C6 N Y N 0 -5.208 0.215 0.207
7 C14 C C7 R N N 0 -3.663 -2.656 0.0
8 C15 C C8 S N N 0 -3.605 -1.527 1.034
9 C16 C C9 R N N 0 -2.468 -0.569 0.664
10 C24 C C10 N N N 0 1.656 -1.296 0.193
11 C33 C C11 N Y N 0 8.608 0.805 0.277
12 C35 C C12 N Y N 0 10.622 2.077 -0.035
13 C37 C C13 N Y N 0 10.321 0.777 1.96
14 C01 C C14 N Y N 0 -8.566 1.939 0.418
15 C04 C C15 N Y N 0 -7.521 3.431 -1.673
16 C13 C C16 R N N 0 -2.305 -3.361 -0.052
17 C27 C C20 N N N 0 4.134 -1.382 -0.114
18 C17 C C17 S N N 0 -1.155 -1.353 0.587
19 C20 C C18 N N N 0 -2.337 -4.452 -1.125
20 C25 C C19 R N N 0 2.893 -0.491 -0.209
21 C30 C C21 N Y N 0 7.276 0.366 -0.208
22 C31 C C22 N Y N 0 6.406 -0.469 0.43
23 C34 C C23 N Y N 0 9.384 1.667 -0.495
24 C36 C C24 N Y N 0 11.089 1.632 1.191
25 C38 C C25 N Y N 0 9.084 0.362 1.509
26 F07 F F1 N N N 0 -10.56 3.209 0.302
27 F39 F F2 N N N 0 11.376 2.912 -0.782
28 N09 N N1 N Y N 0 -6.831 -0.206 1.58
29 N10 N N2 N Y N 0 -5.862 -1.012 1.836
30 N11 N N3 N Y N 0 -4.877 -0.799 1.037
31 N28 N N4 N Y N 0 5.331 -0.581 -0.383
32 N29 N N5 N Y N 0 5.537 0.133 -1.433
33 N32 N N6 N Y N 0 6.681 0.716 -1.363
34 O18 O O1 N N N 0 -1.287 -2.409 -0.371
35 O19 O O2 N N N 0 -3.968 -2.112 -1.285
36 O21 O O3 N N N 0 -1.112 -5.186 -1.094
37 O22 O O4 N N N 0 -2.359 0.45 1.661
38 O26 O O5 N N N 0 2.743 -0.026 -1.552
39 S23 S S1 N N N 0 0.185 -0.241 0.08
40 H1 H H1 N N N 0 -5.77 2.222 -1.478
41 H2 H H2 N N N 0 -9.381 4.482 -1.646
42 H3 H H3 N N N 0 -4.598 0.641 -0.576
43 H4 H H4 N N N 0 -4.434 -3.371 0.285
44 H5 H H5 N N N 0 -3.422 -1.947 2.023
45 H6 H H6 N N N 0 -2.677 -0.112 -0.303
46 H7 H H7 N N N 0 1.544 -2.149 -0.477
47 H8 H H8 N N N 0 1.771 -1.651 1.217
48 H9 H H9 N N N 0 10.69 0.433 2.915
49 H10 H H10 N N N 0 -8.974 1.357 1.232
50 H11 H H11 N N N 0 -7.117 4.015 -2.488
51 H12 H H12 N N N 0 -2.091 -3.81 0.918
52 H13 H H13 N N N 0 -0.926 -1.776 1.565
53 H14 H H14 N N N 0 -3.17 -5.127 -0.931
54 H15 H H15 N N N 0 -2.462 -3.993 -2.105
55 H16 H H16 N N N 0 3.006 0.361 0.46
56 H17 H H17 N N N 0 4.199 -1.808 0.887
57 H18 H H18 N N N 0 4.062 -2.185 -0.847
58 H19 H H19 N N N 0 6.547 -0.945 1.389
59 H20 H H20 N N N 0 9.02 2.013 -1.451
60 H21 H H21 N N N 0 12.057 1.954 1.547
61 H22 H H22 N N N 0 8.486 -0.306 2.111
62 H23 H H23 N N N 0 -4.018 -2.772 -1.99
63 H24 H H24 N N N 0 -1.062 -5.895 -1.75
64 H25 H H25 N N N 0 -1.657 1.093 1.49
65 H26 H H26 N N N 0 2.638 -0.733 -2.204