Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : ANB

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 45


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 1.573 0.085 -2.436
2 C10 C C10 R N N 0 0.363 0.469 -1.619
3 C11 C C11 N N N 0 1.704 0.076 0.445
4 C12 C C12 N N N 0 1.739 -0.515 1.863
5 C13 C C13 S N N 0 0.537 0.031 2.607
6 C14 C C14 S N N 0 -0.73 -0.521 1.902
7 C15 C C15 N N N 0 -1.827 -0.163 2.914
8 C16 C C16 N N N 0 -1.149 -0.486 4.274
9 C17 C C17 N N N 0 0.361 -0.408 4.03
10 C18 C C18 N N N 0 0.54 1.56 2.537
11 C19 C C19 N N N 0 0.442 1.972 -1.345
12 C7 C C7 N N N 0 -2.105 -0.231 -0.183
13 C2 C C2 N N N 0 1.505 -0.371 -3.677
14 C3 C C3 N N N 0 0.193 -0.535 -4.326
15 C4 C C4 N N N 0 -1.017 -0.233 -3.549
16 C5 C C5 N N N 0 -0.925 0.216 -2.305
17 C6 C C6 N N N 0 -2.198 0.496 -1.528
18 C8 C C8 R N N 0 -0.826 0.189 0.542
19 C9 C C9 S N N 0 0.399 -0.255 -0.271
20 O1 O O1 N N N 0 0.114 -0.912 -5.481
21 O2 O O2 N N N 0 1.239 -0.66 4.821
22 HC1 H 1HC N N N 0 2.55 0.187 -1.987
23 H111 H 1H11 N N N 0 1.809 1.159 0.509
24 H112 H 2H11 N N N 0 2.538 -0.327 -0.128
25 H121 H 1H12 N N N 0 2.657 -0.214 2.369
26 H122 H 2H12 N N N 0 1.681 -1.602 1.814
27 HC41 H 1HC4 N N N 0 -0.672 -1.601 1.766
28 H151 H 1H15 N N N 0 -2.082 0.893 2.85
29 H152 H 2H15 N N N 0 -2.709 -0.785 2.764
30 H161 H 1H16 N N N 0 -1.445 0.248 5.022
31 H162 H 2H16 N N N 0 -1.429 -1.487 4.602
32 H181 H 1H18 N N N 0 0.586 1.876 1.495
33 H182 H 2H18 N N N 0 -0.37 1.946 2.994
34 H183 H 3H18 N N N 0 1.407 1.946 3.073
35 H191 H 1H19 N N N 0 0.447 2.514 -2.291
36 H192 H 2H19 N N N 0 -0.421 2.279 -0.755
37 H193 H 3H19 N N N 0 1.355 2.194 -0.794
38 HC61 H 1HC6 N N N 0 -3.059 0.129 -2.087
39 HC2 H 2HC N N N 0 2.409 -0.623 -4.211
40 HC4 H 4HC N N N 0 -1.99 -0.379 -3.995
41 HC62 H 2HC6 N N N 0 -2.297 1.569 -1.36
42 HC9 H 9HC N N N 0 0.346 -1.331 -0.44
43 HC71 H 1HC7 N N N 0 -2.088 -1.307 -0.354
44 HC72 H 2HC7 N N N 0 -2.97 0.024 0.427
45 HC8 H 8HC N N N 0 -0.812 1.272 0.665