Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 4O0

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 58


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 2.0 -0.189 -1.005
2 C2 C C2 N Y N 0 0.258 -1.905 -0.384
3 C3 C C3 N Y N 0 0.96 -2.904 0.288
4 C4 C C4 N Y N 0 0.285 -4.007 0.772
5 N1 N N1 N N N 0 3.444 1.26 0.386
6 C5 C C5 N Y N 0 -1.087 -4.131 0.595
7 C6 C C6 N Y N 0 -1.792 -3.162 -0.061
8 C7 C C7 N Y N 0 -1.131 -2.038 -0.559
9 C8 C C8 N Y N 0 -1.566 -0.842 -1.291
10 C9 C C9 N Y N 0 -0.469 -0.092 -1.506
11 C10 C C10 N N N 0 -0.451 1.231 -2.227
12 O1 O O1 N N N 0 -7.511 2.831 1.687
13 O2 O O2 N N N 0 -7.742 1.948 -0.336
14 C11 C C11 N Y N 0 -3.848 0.438 -0.419
15 C12 C C12 N Y N 0 -3.046 0.668 0.692
16 C13 C C13 N Y N 0 -3.54 1.374 1.774
17 C14 C C14 N Y N 0 -4.832 1.855 1.76
18 C15 C C15 N Y N 0 -5.65 1.631 0.649
19 C16 C C16 N Y N 0 -5.15 0.923 -0.447
20 C17 C C17 N N N 0 -7.034 2.144 0.631
21 C18 C C18 N N N 0 3.801 2.115 1.524
22 C19 C C19 N N N 0 5.253 2.528 1.265
23 C20 C C20 N Y N 0 5.629 1.863 -0.034
24 C21 C C21 N Y N 0 4.531 1.144 -0.486
25 C22 C C22 N Y N 0 4.634 0.434 -1.683
26 F F F2 N N N 0 -5.933 0.701 -1.526
27 F1 F F1 N N N 0 2.294 -2.793 0.465
28 CL CL CL1 N N N 0 1.161 -5.251 1.609
29 S S S1 N N N 0 -3.212 -0.462 -1.793
30 N N N2 N Y N 0 0.632 -0.713 -0.964
31 C C C23 N N N 0 2.245 0.669 0.21
32 O O O3 N N N 0 1.365 0.827 1.029
33 C23 C C24 N Y N 0 5.809 0.449 -2.403
34 C24 C C25 N Y N 0 6.897 1.167 -1.944
35 C25 C C26 N Y N 0 6.804 1.874 -0.759
36 C27 C C27 N N N 0 6.253 2.685 2.404
37 C26 C C28 N N N 0 5.766 3.915 1.633
38 H1 H H1 N N N 0 2.707 -1.019 -1.012
39 H3 H H3 N N N 0 -1.6 -5.0 0.979
40 H2 H H2 N N N 0 2.133 0.41 -1.905
41 H4 H H4 N N N 0 -2.859 -3.266 -0.195
42 H5 H H5 N N N 0 -0.605 2.038 -1.51
43 H6 H H6 N N N 0 0.512 1.363 -2.72
44 H7 H H7 N N N 0 -1.246 1.25 -2.972
45 H8 H H8 N N N 0 -8.423 3.147 1.629
46 H9 H H9 N N N 0 -2.033 0.294 0.711
47 H10 H H10 N N N 0 -2.911 1.549 2.635
48 H11 H H11 N N N 0 -5.215 2.402 2.61
49 H12 H H12 N N N 0 3.157 2.994 1.555
50 H13 H H13 N N N 0 3.724 1.556 2.456
51 H14 H H14 N N N 0 3.787 -0.129 -2.048
52 H15 H H15 N N N 0 5.881 -0.104 -3.328
53 H16 H H16 N N N 0 7.818 1.176 -2.509
54 H17 H H17 N N N 0 7.654 2.436 -0.4
55 H18 H H18 N N N 0 5.884 2.549 3.421
56 H19 H H19 N N N 0 7.275 2.351 2.227
57 H20 H H20 N N N 0 6.468 4.391 0.949
58 H21 H H21 N N N 0 5.077 4.588 2.143