Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 78F

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 62


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 R N N 0 6.188 1.46 0.506
2 C2 C C2 R N N 0 5.434 0.234 -0.014
3 C3 C C3 S N N 0 4.083 0.127 0.696
4 C4 C C4 S N N 0 3.414 -1.197 0.322
5 C5 C C5 N N N 0 2.017 -1.231 0.886
6 C6 C C6 N N N 0 -8.124 -0.681 -0.404
7 C7 C C7 N N N 0 -9.575 -0.61 0.083
8 C8 C C8 N N N 0 -10.131 0.788 -0.203
9 N2 N N2 N N N 0 -9.288 1.792 0.461
10 N3 N N3 N N N 0 -7.918 1.728 -0.023
11 C9 C C9 S N N 0 -7.312 0.424 0.276
12 C10 C C10 N N N 0 -5.896 0.398 -0.24
13 O1 O O1 N N N 0 -5.021 -0.497 0.245
14 O2 O O2 N N N 0 -5.549 1.183 -1.09
15 C25 C C25 N N N 0 -3.675 -0.465 -0.298
16 C26 C C26 N N N 0 -2.829 -1.549 0.371
17 C27 C C27 N N N 0 -1.432 -1.516 -0.193
18 C28 C C28 N N N 0 -0.389 -1.39 0.622
19 C29 C C29 N N N 0 0.975 -1.357 0.071
20 C30 C C30 N N N 0 7.518 1.566 -0.193
21 O6 O O6 N N N 0 7.832 0.744 -1.023
22 C31 C C31 N N N 0 6.413 1.319 2.013
23 C32 C C32 N N N 0 3.187 1.29 0.266
24 O7 O O7 N N N 0 4.171 -2.283 0.86
25 O8 O O8 N N N 0 5.224 0.366 -1.421
26 C33 C C33 N N N 0 4.998 -2.947 -0.098
27 C34 C C34 N N N 0 5.508 -0.821 -2.165
28 H1 H H1 N N N 0 5.601 2.357 0.309
29 H2 H H2 N N N 0 6.021 -0.664 0.183
30 H3 H H3 N N N 0 4.235 0.165 1.775
31 H4 H H4 N N N 0 3.37 -1.288 -0.764
32 H5 H H5 N N N 0 1.863 -1.153 1.952
33 H7 H H7 N N N 0 -7.702 -1.653 -0.15
34 H8 H H8 N N N 0 -8.095 -0.543 -1.485
35 H9 H H9 N N N 0 -10.173 -1.354 -0.443
36 H10 H H10 N N N 0 -9.609 -0.804 1.155
37 H11 H H11 N N N 0 -10.131 0.967 -1.278
38 H12 H H12 N N N 0 -11.15 0.859 0.179
39 H13 H H13 N N N 0 -7.365 2.48 0.359
40 H14 H H14 N N N 0 -7.309 0.262 1.354
41 H32 H H32 N N N 0 -3.713 -0.645 -1.372
42 H33 H H33 N N N 0 -3.23 0.512 -0.108
43 H34 H H34 N N N 0 -2.791 -1.37 1.446
44 H35 H H35 N N N 0 -3.274 -2.526 0.181
45 H36 H H36 N N N 0 -1.278 -1.594 -1.259
46 H37 H H37 N N N 0 -0.543 -1.312 1.688
47 H38 H H38 N N N 0 1.129 -1.435 -0.995
48 H39 H H39 N N N 0 6.95 2.192 2.383
49 H40 H H40 N N N 0 5.451 1.242 2.518
50 H41 H H41 N N N 0 6.999 0.421 2.21
51 H42 H H42 N N N 0 2.225 1.214 0.772
52 H43 H H43 N N N 0 3.664 2.234 0.533
53 H44 H H44 N N N 0 3.035 1.252 -0.812
54 H45 H H45 N N N 0 5.431 -3.84 0.353
55 H46 H H46 N N N 0 4.396 -3.231 -0.961
56 H47 H H47 N N N 0 5.796 -2.276 -0.416
57 H48 H H48 N N N 0 6.507 -1.177 -1.913
58 H49 H H49 N N N 0 4.775 -1.589 -1.918
59 H50 H H50 N N N 0 5.458 -0.602 -3.232
60 H6 H H6 N N Y 0 -9.322 1.687 1.464
61 OXT O OXT N N Y 0 8.355 2.572 0.105
62 HXT H HXT N N Y 0 9.197 2.598 -0.37