Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 987

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 59


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 -1.876 -0.381 2.002
2 C05 C C2 S N N 0 -2.527 -1.36 1.023
3 N07 N N1 N N N 0 -1.516 -2.293 0.521
4 C08 C C3 N N N 0 -1.578 -3.75 0.688
5 C11 C C4 N N N 0 -0.582 -4.326 -0.343
6 C14 C C5 S N N 0 0.401 -3.146 -0.525
7 N16 N N2 N N N 0 1.55 -3.293 0.371
8 S18 S S1 N N N 0 3.052 -2.797 -0.12
9 O19 O O1 N N N 0 3.931 -3.039 0.97
10 O20 O O2 N N N 0 3.251 -3.346 -1.416
11 C21 C C6 N Y N 0 2.983 -1.049 -0.325
12 C22 C C7 N Y N 0 2.621 -0.516 -1.561
13 C24 C C8 N Y N 0 2.557 0.83 -1.753
14 C26 C C9 N Y N 0 2.861 1.699 -0.691
15 C27 C C10 N Y N 0 2.806 3.093 -0.851
16 C29 C C11 N Y N 0 3.106 3.905 0.201
17 CL1 CL CL1 N N N 0 3.037 5.627 0.0
18 C31 C C12 N Y N 0 3.468 3.371 1.438
19 C33 C C13 N Y N 0 3.533 2.025 1.629
20 C35 C C14 N Y N 0 3.229 1.157 0.566
21 C36 C C15 N Y N 0 3.279 -0.238 0.727
22 C38 C C16 N N N 0 -0.415 -1.926 -0.157
23 O39 O O3 N N N 0 -0.117 -0.783 -0.431
24 C40 C C17 N N N 0 -3.122 -0.595 -0.131
25 O41 O O4 N N N 0 -2.502 -0.481 -1.167
26 N42 N N3 N N N 0 -4.344 -0.038 -0.012
27 C43 C C18 N N N 0 -5.06 -0.071 1.271
28 C46 C C19 N N N 0 -5.465 1.357 1.646
29 C49 C C20 N N N 0 -6.264 1.976 0.496
30 C52 C C21 S N N 0 -5.39 2.036 -0.759
31 N54 N N4 N N N 0 -6.147 2.658 -1.854
32 C57 C C22 N N N 0 -4.982 0.62 -1.16
33 H1 H H1 N N N 0 -2.643 0.256 2.444
34 H2 H H2 N N N 0 -1.369 -0.938 2.79
35 H3 H H3 N N N 0 -1.153 0.237 1.471
36 H4 H H4 N N N 0 -3.313 -1.916 1.535
37 H5 H H5 N N N 0 -1.278 -4.027 1.699
38 H6 H H6 N N N 0 -2.586 -4.111 0.481
39 H7 H H7 N N N 0 -0.07 -5.202 0.057
40 H8 H H8 N N N 0 -1.084 -4.563 -1.28
41 H9 H H9 N N N 0 0.732 -3.082 -1.561
42 H10 H H10 N N N 0 1.432 -3.681 1.253
43 H11 H H11 N N N 0 2.387 -1.182 -2.379
44 H12 H H12 N N N 0 2.275 1.228 -2.717
45 H13 H H13 N N N 0 2.526 3.52 -1.803
46 H14 H H14 N N N 0 3.702 4.036 2.257
47 H15 H H15 N N N 0 3.816 1.626 2.592
48 H16 H H16 N N N 0 3.554 -0.665 1.681
49 H17 H H17 N N N 0 -5.952 -0.691 1.175
50 H18 H H18 N N N 0 -4.41 -0.484 2.042
51 H19 H H19 N N N 0 -6.08 1.337 2.546
52 H20 H H20 N N N 0 -4.571 1.953 1.83
53 H21 H H21 N N N 0 -7.145 1.366 0.297
54 H22 H H22 N N N 0 -6.574 2.984 0.771
55 H23 H H23 N N N 0 -4.497 2.625 -0.553
56 H24 H H24 N N N 0 -6.429 3.596 -1.611
57 H25 H H25 N N N 0 -5.615 2.651 -2.711
58 H27 H H27 N N N 0 -4.28 0.664 -1.993
59 H28 H H28 N N N 0 -5.866 0.054 -1.454