Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : S14

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 56


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 6.777 -0.459 0.561
2 C2 C C2 N Y N 0 6.117 -1.673 0.288
3 C3 C C3 N Y N 0 4.783 -1.664 0.03
4 C4 C C4 N Y N 0 4.08 -0.439 0.04
5 C5 C C5 N Y N 0 4.742 0.723 0.301
6 N6 N N6 N Y N 0 6.074 0.712 0.564
7 N7 N N7 N Y N 0 6.999 1.722 0.864
8 C8 C C8 N Y N 0 8.166 1.142 1.021
9 N9 N N9 N Y N 0 8.041 -0.165 0.841
10 C14 C C14 N Y N 0 2.622 -0.417 -0.241
11 C15 C C15 N Y N 0 2.146 -0.786 -1.497
12 C16 C C16 N Y N 0 0.79 -0.764 -1.752
13 C17 C C17 N Y N 0 -0.096 -0.377 -0.763
14 C18 C C18 N Y N 0 0.371 -0.005 0.485
15 C19 C C19 N Y N 0 1.725 -0.028 0.752
16 C24 C C24 S N N 0 -1.576 -0.355 -1.047
17 C25 C C25 S N N 0 -2.294 -1.307 -0.089
18 C26 C C26 N N N 0 -3.754 -1.381 -0.453
19 C28 C C28 N N N 0 -2.104 1.043 -0.855
20 N27 N N27 N N N 0 -4.683 -0.87 0.379
21 N30 N N30 N N N 0 -1.696 -2.646 -0.189
22 O32 O O32 N N N 0 -4.093 -1.9 -1.496
23 O33 O O33 N N N 0 -2.611 1.36 0.2
24 N34 N N34 N N N 0 -2.012 1.941 -1.856
25 C35 C C35 N N N 0 -2.525 3.301 -1.669
26 C39 C C39 N N N 0 -1.399 1.558 -3.13
27 C43 C C43 N N N 0 -4.426 -0.331 1.722
28 C44 C C44 S N N 0 -5.776 0.164 2.283
29 C45 C C45 N N N 0 -6.626 0.385 1.004
30 C46 C C46 N N N 0 -6.126 -0.765 0.095
31 F53 F F53 N N N 0 -5.618 1.363 2.986
32 H2 H H2 N N N 0 6.667 -2.603 0.285
33 H3 H H3 N N N 0 4.263 -2.588 -0.18
34 H5 H H5 N N N 0 4.202 1.659 0.301
35 H8 H H8 N N N 0 9.087 1.653 1.261
36 H15 H H15 N N N 0 2.837 -1.089 -2.27
37 H16 H H16 N N N 0 0.42 -1.05 -2.726
38 H18 H H18 N N N 0 -0.325 0.296 1.253
39 H19 H H19 N N N 0 2.089 0.258 1.728
40 H24 H H24 N N N 0 -1.753 -0.673 -2.075
41 H25 H H25 N N N 0 -2.192 -0.94 0.932
42 H301 H 1H30 N N N 0 -2.262 -3.259 0.378
43 H302 H 2H30 N N N 0 -1.812 -2.944 -1.145
44 H351 H 1H35 N N N 0 -2.364 3.878 -2.58
45 H352 H 2H35 N N N 0 -3.592 3.259 -1.449
46 H353 H 3H35 N N N 0 -2.001 3.776 -0.84
47 H391 H 1H39 N N N 0 -1.08 0.517 -3.082
48 H392 H 2H39 N N N 0 -2.127 1.678 -3.934
49 H393 H 3H39 N N N 0 -0.536 2.194 -3.324
50 H431 H 1H43 N N N 0 -4.019 -1.109 2.368
51 H432 H 2H43 N N N 0 -3.725 0.502 1.654
52 H44 H H44 N N N 0 -6.228 -0.597 2.919
53 H451 H 1H45 N N N 0 -6.414 1.357 0.557
54 H452 H 2H45 N N N 0 -7.689 0.28 1.218
55 H461 H 1H46 N N N 0 -6.289 -0.518 -0.954
56 H462 H 2H46 N N N 0 -6.631 -1.697 0.35