Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 48W

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 C1 C C1 N N N 0 -1.683 -1.12 2.468
2 C2 C C2 S N N 0 -2.116 -1.592 1.079
3 N3 N N1 N N N 0 -1.07 -2.441 0.503
4 C4 C C3 N N N 0 -1.264 -3.84 0.106
5 C5 C C4 N N N 0 0.157 -4.434 -0.02
6 C6 C C5 S N N 0 1.0 -3.172 -0.318
7 N7 N N2 N N N 0 2.309 -3.265 0.333
8 S8 S S1 N N N 0 3.648 -2.631 -0.405
9 O9 O O1 N N N 0 4.737 -2.847 0.482
10 O10 O O2 N N N 0 3.631 -3.106 -1.744
11 C11 C C6 N Y N 0 3.418 -0.886 -0.494
12 C12 C C7 N Y N 0 2.787 -0.333 -1.607
13 C13 C C8 N Y N 0 2.593 1.01 -1.707
14 C14 C C9 N Y N 0 3.035 1.855 -0.674
15 C15 C C10 N Y N 0 2.852 3.247 -0.741
16 C16 C C11 N Y N 0 3.293 4.034 0.279
17 CL1 CL CL1 N N N 0 3.065 5.753 0.193
18 C18 C C12 N Y N 0 3.924 3.48 1.392
19 C19 C C13 N Y N 0 4.119 2.137 1.491
20 C20 C C14 N Y N 0 3.677 1.293 0.458
21 C21 C C15 N Y N 0 3.855 -0.1 0.527
22 C22 C C16 N N N 0 0.19 -2.036 0.265
23 O23 O O3 N N N 0 0.615 -0.923 0.489
24 C24 C C17 N N N 0 -2.339 -0.397 0.189
25 O25 O O4 N N N 0 -1.469 -0.04 -0.576
26 N26 N N3 N N N 0 -3.506 0.276 0.244
27 C27 C C18 N N N 0 -3.737 1.36 -0.707
28 C28 C C19 N N N 0 -4.916 1.005 -1.619
29 N29 N N4 N N N 0 -6.169 1.313 -0.916
30 C30 C C20 N N N 0 -6.976 2.46 -1.339
31 C31 C C21 N N N 0 -6.579 0.557 0.106
32 O32 O O5 N N N 0 -7.619 0.822 0.672
33 C33 C C22 N N N 0 -5.757 -0.628 0.562
34 C34 C C23 N N N 0 -4.493 -0.111 1.25
35 H1 H H1 N N N 0 -1.427 -1.984 3.082
36 H2 H H2 N N N 0 -0.814 -0.469 2.376
37 H3 H H3 N N N 0 -2.5 -0.572 2.937
38 H4 H H4 N N N 0 -3.042 -2.162 1.161
39 H5 H H5 N N N 0 -1.829 -4.374 0.87
40 H6 H H6 N N N 0 -1.781 -3.892 -0.852
41 H7 H H7 N N N 0 0.469 -4.9 0.914
42 H8 H H8 N N N 0 0.211 -5.144 -0.846
43 H9 H H9 N N N 0 1.119 -3.038 -1.393
44 H10 H H10 N N N 0 2.391 -3.698 1.198
45 H11 H H11 N N N 0 2.447 -0.98 -2.402
46 H12 H H12 N N N 0 2.102 1.425 -2.575
47 H13 H H13 N N N 0 2.365 3.69 -1.597
48 H14 H H14 N N N 0 4.264 4.127 2.188
49 H15 H H15 N N N 0 4.61 1.721 2.358
50 H16 H H16 N N N 0 4.339 -0.543 1.385
51 H17 H H17 N N N 0 -3.962 2.278 -0.164
52 H18 H H18 N N N 0 -2.843 1.508 -1.313
53 H19 H H19 N N N 0 -4.858 1.592 -2.536
54 H20 H H20 N N N 0 -4.883 -0.057 -1.862
55 H21 H H21 N N N 0 -7.691 2.141 -2.098
56 H22 H H22 N N N 0 -7.512 2.864 -0.481
57 H23 H H23 N N N 0 -6.324 3.229 -1.755
58 H24 H H24 N N N 0 -6.336 -1.229 1.263
59 H25 H H25 N N N 0 -5.482 -1.233 -0.302
60 H26 H H26 N N N 0 -4.078 -0.895 1.883
61 H27 H H27 N N N 0 -4.741 0.756 1.861