Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 18I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 59


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 -6.794 -1.551 -0.911
2 C10 C C10 N Y N 0 1.582 -0.179 -0.431
3 C11 C C11 N Y N 0 2.916 -0.44 -0.644
4 C12 C C12 N Y N 0 3.653 -1.145 0.308
5 C13 C C13 N Y N 0 5.09 -1.424 0.075
6 C14 C C14 N Y N 0 5.829 -2.128 1.025
7 C15 C C15 N Y N 0 7.167 -2.386 0.803
8 C16 C C16 N Y N 0 7.776 -1.948 -0.358
9 C17 C C17 N Y N 0 7.047 -1.248 -1.306
10 C18 C C18 N Y N 0 5.706 -0.989 -1.097
11 C19 C C19 N Y N 0 3.039 -1.587 1.48
12 C2 C C2 N Y N 0 -7.504 -2.696 -1.207
13 C20 C C20 N Y N 0 1.703 -1.322 1.701
14 C21 C C21 N N N 0 -3.011 1.856 -0.517
15 C22 C C22 N Y N 0 -2.28 3.061 0.016
16 C23 C C23 N Y N 0 -2.736 3.932 0.93
17 C24 C C24 N Y N 0 -0.68 4.662 0.391
18 C25 C C25 N Y N 0 0.538 5.317 0.243
19 C26 C C26 N Y N 0 1.477 4.824 -0.637
20 C27 C C27 N Y N 0 1.22 3.68 -1.379
21 C28 C C28 N Y N 0 0.03 3.021 -1.249
22 C29 C C29 N Y N 0 -0.935 3.502 -0.363
23 C3 C C3 N Y N 0 -5.78 -4.043 -0.474
24 C4 C C4 N Y N 0 -5.005 -2.948 -0.152
25 C5 C C5 N Y N 0 -5.514 -1.669 -0.371
26 C6 C C6 N N N 0 -3.42 -0.566 -0.172
27 C7 C C7 S N N 0 -2.599 0.615 0.278
28 C8 C C8 N N N 0 -0.468 -0.342 0.971
29 C9 C C9 N Y N 0 0.963 -0.621 0.742
30 F1 F F1 N N N 0 7.648 -0.821 -2.439
31 F2 F F2 N N N 0 1.108 -1.745 2.838
32 H1 H H1 N N N 0 -7.221 -0.578 -1.099
33 H10 H H10 N N N 0 1.013 0.366 -1.169
34 H11 H H11 N N N 0 3.394 -0.099 -1.551
35 H14 H H14 N N N 0 5.355 -2.471 1.933
36 H15 H H15 N N N 0 7.739 -2.931 1.539
37 H16 H H16 N N N 0 8.823 -2.152 -0.527
38 H18 H H18 N N N 0 5.137 -0.448 -1.838
39 H19 H H19 N N N 0 3.61 -2.132 2.216
40 H2 H H2 N N N 0 -8.497 -2.614 -1.625
41 H21 H H21 N N N 0 -2.759 1.714 -1.568
42 H21A H H21A N N N 0 -4.086 2.01 -0.419
43 H23 H H23 N N N 0 -3.703 3.88 1.407
44 H25 H H25 N N N 0 0.748 6.208 0.816
45 H26 H H26 N N N 0 2.422 5.334 -0.751
46 H27 H H27 N N N 0 1.967 3.308 -2.065
47 H28 H H28 N N N 0 -0.163 2.131 -1.83
48 H3 H H3 N N N 0 -5.394 -5.038 -0.308
49 H4 H H4 N N N 0 -4.017 -3.081 0.266
50 H7 H H7 N N N 0 -2.769 0.792 1.34
51 HN2 H HN2 N N N 0 -5.206 0.272 0.243
52 HN3 H HN3 N N N 0 -0.749 0.645 -0.764
53 HN4 H HN4 N N N 0 -1.897 5.636 1.785
54 N1 N N1 N Y N 0 -6.988 -3.89 -0.984
55 N2 N N2 N N N 0 -4.762 -0.536 -0.057
56 N3 N N3 N N N 0 -1.179 0.339 0.05
57 N4 N N4 N Y N 0 -1.794 4.896 1.166
58 O1 O O1 N N N 0 -1.006 -0.726 1.992
59 O2 O O2 N N N 0 -2.872 -1.542 -0.637