Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : HFF

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 54


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 6.367 0.021 -0.743
2 C2 C C2 N N N 0 5.739 -1.102 -1.566
3 C3 C C3 N Y N 0 4.81 -1.937 -0.724
4 C4 C C4 N Y N 0 4.492 -3.211 -1.177
5 C5 C C5 N Y N 0 3.639 -4.019 -0.456
6 C9 C C6 R N N 0 4.595 -0.121 1.01
7 S1 S S1 N N N 0 1.024 2.74 -0.812
8 C11 C C7 N N N 0 1.563 1.576 0.321
9 N1 N N1 N N N 0 2.846 1.581 0.735
10 C10 C C8 N N N 0 3.372 0.533 1.618
11 C8 C C9 N Y N 0 4.271 -1.484 0.461
12 C7 C C10 N Y N 0 3.408 -2.296 1.183
13 C6 C C11 N Y N 0 3.092 -3.56 0.728
14 N N N2 N N N 0 5.284 0.684 0.016
15 C20 C C12 N N N 0 3.784 2.64 0.319
16 C C C13 N N N 0 4.991 1.959 -0.274
17 O O O1 N N N 0 5.712 2.579 -1.028
18 N2 N N3 N N N 0 0.705 0.653 0.799
19 C12 C C14 N N N 0 -0.713 0.713 0.435
20 C13 C C15 N N N 0 -1.461 -0.44 1.106
21 C14 C C16 N Y N 0 -2.92 -0.378 0.732
22 C19 C C17 N Y N 0 -3.803 0.348 1.508
23 C18 C C18 N Y N 0 -5.14 0.405 1.164
24 C17 C C19 N Y N 0 -5.595 -0.264 0.044
25 S S S2 N N N 0 -7.3 -0.193 -0.394
26 O2 O O2 N N N 0 -8.009 0.11 0.8
27 N3 N N4 N N N 0 -7.494 1.111 -1.397
28 O1 O O3 N N N 0 -7.561 -1.347 -1.181
29 C16 C C20 N Y N 0 -4.712 -0.99 -0.734
30 C15 C C21 N Y N 0 -3.373 -1.044 -0.392
31 H1 H H1 N N N 0 7.101 -0.393 -0.052
32 H2 H H2 N N N 0 6.848 0.74 -1.406
33 H3 H H3 N N N 0 5.178 -0.668 -2.394
34 H4 H H4 N N N 0 6.529 -1.739 -1.964
35 H5 H H5 N N N 0 4.917 -3.572 -2.102
36 H6 H H6 N N N 0 3.397 -5.009 -0.815
37 H7 H H7 N N N 0 5.301 -0.286 1.824
38 H8 H H8 N N N 0 2.602 -0.222 1.775
39 H9 H H9 N N N 0 3.641 0.975 2.577
40 H10 H H10 N N N 0 2.982 -1.937 2.108
41 H11 H H11 N N N 0 2.421 -4.188 1.295
42 H12 H H12 N N N 0 3.313 3.281 -0.426
43 H13 H H13 N N N 0 4.08 3.234 1.184
44 H14 H H14 N N N 0 1.026 -0.051 1.385
45 H15 H H15 N N N 0 -1.134 1.662 0.768
46 H16 H H16 N N N 0 -0.814 0.631 -0.647
47 H17 H H17 N N N 0 -1.041 -1.389 0.774
48 H18 H H18 N N N 0 -1.36 -0.357 2.189
49 H19 H H19 N N N 0 -3.448 0.872 2.384
50 H20 H H20 N N N 0 -5.83 0.972 1.771
51 H21 H H21 N N N 0 -6.731 1.662 -1.629
52 H22 H H22 N N N 0 -8.372 1.324 -1.751
53 H23 H H23 N N N 0 -5.067 -1.513 -1.609
54 H24 H H24 N N N 0 -2.683 -1.608 -1.001