Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : C9W

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 55


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C5 C C1 N Y N 0 -3.049 -1.85 -1.58
2 C8 C C2 N Y N 0 -1.6 -2.12 0.086
3 C1 C C3 N N N 0 -3.917 -2.149 -2.776
4 C15 C C4 N N N 0 -4.012 3.085 -0.595
5 C11 C C5 N Y N 0 -2.958 -0.645 -0.939
6 C19 C C6 N N N 0 -3.041 4.484 1.331
7 C18 C C7 N N N 0 -3.672 3.157 0.905
8 C23 C C8 N N N 0 -2.646 2.044 0.624
9 C26 C C9 N N N 0 -4.777 2.739 1.784
10 C C C10 N Y N 0 3.693 1.986 -1.02
11 C01 C C11 N Y N 0 5.05 0.191 0.584
12 C02 C C12 N Y N 0 5.654 1.376 0.214
13 C03 C C13 N Y N 0 4.974 2.276 -0.591
14 N6 N N1 N Y N 0 -2.236 -2.725 -0.959
15 C9 C C14 N Y N 0 -1.998 -0.837 0.153
16 C12 C C15 N N N 0 -3.677 0.594 -1.278
17 O13 O O1 N N N 0 -4.45 0.612 -2.217
18 N14 N N2 N N N 0 -3.48 1.709 -0.547
19 N27 N N3 N N N 0 -5.629 2.416 2.462
20 S28 S S1 N N N 0 -0.447 -2.893 1.17
21 O29 O O2 N N N 0 -0.46 -2.139 2.374
22 O30 O O3 N N N 0 -0.724 -4.286 1.123
23 N31 N N4 N N N 0 1.059 -2.694 0.51
24 C33 C C16 R N N 0 1.63 -1.351 0.381
25 C35 C C17 N N N 0 1.345 -0.8 -1.022
26 O38 O O4 N N N 0 1.821 0.545 -1.083
27 C41 C C18 N Y N 0 3.084 0.792 -0.647
28 C42 C C19 N Y N 0 3.767 -0.106 0.155
29 C43 C C20 S N N 0 3.147 -1.414 0.573
30 O45 O O5 N N N 0 3.683 -2.472 -0.224
31 CL C C21 N N N 0 7.05 1.691 0.685
32 F F F1 N N N 0 5.563 3.435 -0.956
33 H11 H H1 N N N 0 -3.359 -1.946 -3.69
34 H12 H H2 N N N 0 -4.214 -3.198 -2.756
35 H13 H H3 N N N 0 -4.806 -1.519 -2.746
36 H16 H H4 N N N 0 -5.08 3.136 -0.806
37 H17 H H5 N N N 0 -3.422 3.763 -1.212
38 H20 H H6 N N N 0 -3.73 5.3 1.115
39 H21 H H7 N N N 0 -2.83 4.459 2.4
40 H22 H H8 N N N 0 -2.112 4.638 0.781
41 H24 H H9 N N N 0 -1.655 2.416 0.365
42 H25 H H10 N N N 0 -2.624 1.264 1.385
43 H H H11 N N N 0 3.161 2.69 -1.643
44 H04 H H12 N N N 0 5.582 -0.51 1.211
45 H7 H H13 N N N 0 -2.121 -3.653 -1.216
46 H10 H H14 N N N 0 -1.677 -0.096 0.87
47 H1 H H15 N N N 0 1.562 -3.466 0.208
48 H33 H H16 N N N 0 1.191 -0.692 1.13
49 H51 H H17 N N N 0 1.861 -1.406 -1.766
50 H52 H H18 N N N 0 0.272 -0.818 -1.213
51 H44 H H19 N N N 0 3.372 -1.603 1.623
52 H45 H H20 N N N 0 4.642 -2.571 -0.152
53 H2 H H21 N N N 0 7.772 1.309 -0.038
54 H3 H H22 N N N 0 7.167 2.77 0.78
55 H4 H H23 N N N 0 7.221 1.22 1.653