Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : C3I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N N N 0 -0.255 1.963 -1.185
2 C12 C C2 N N N 0 -1.936 0.268 -2.046
3 C13 C C3 N N N 0 -2.144 1.244 0.176
4 C16 C C4 N N N 0 -3.847 0.537 1.858
5 C17 C C5 N N N 0 -5.3 1.043 1.746
6 C18 C C6 N N N 0 -5.368 1.697 0.344
7 C19 C C7 N N N 0 -4.494 0.752 -0.517
8 C20 C C8 N Y N 0 -2.955 -1.088 0.187
9 C21 C C9 N Y N 0 -2.052 -1.709 1.03
10 C22 C C10 N Y N 0 -1.708 -3.031 0.82
11 C23 C C11 N Y N 0 -2.267 -3.733 -0.231
12 C24 C C12 N Y N 0 -3.171 -3.112 -1.073
13 C25 C C13 N Y N 0 -3.514 -1.789 -0.864
14 C26 C C14 N Y N 0 3.316 -0.4 -0.679
15 C27 C C15 N Y N 0 4.429 -1.145 -0.34
16 C01 C C16 N N N 0 7.73 -0.553 1.135
17 O02 O O1 N N N 0 6.629 -1.258 0.558
18 C03 C C17 N Y N 0 5.534 -0.524 0.224
19 C04 C C18 N Y N 0 5.522 0.845 0.447
20 C05 C C19 N Y N 0 4.41 1.591 0.109
21 C06 C C20 N Y N 0 3.304 0.97 -0.456
22 N07 N N1 N N N 0 2.178 1.727 -0.805
23 C08 C C21 N N N 0 0.947 1.184 -0.716
24 O09 O O2 N N N 0 0.808 0.069 -0.261
25 N11 N N2 N N N 0 -1.465 1.161 -0.984
26 O14 O O3 N N N 0 -1.798 2.038 1.026
27 C15 C C22 N N N 0 -3.334 0.352 0.419
28 H1 H H1 N N N 0 -0.334 2.888 -0.613
29 H2 H H2 N N N 0 -0.146 2.198 -2.243
30 H3 H H3 N N N 0 -1.514 -0.726 -1.898
31 H4 H H4 N N N 0 -3.024 0.21 -2.016
32 H5 H H5 N N N 0 -1.619 0.656 -3.014
33 H6 H H6 N N N 0 -3.235 1.272 2.381
34 H7 H H7 N N N 0 -3.822 -0.415 2.388
35 H8 H H8 N N N 0 -6.0 0.209 1.813
36 H9 H H9 N N N 0 -5.509 1.78 2.522
37 H10 H H10 N N N 0 -6.394 1.716 -0.024
38 H11 H H11 N N N 0 -4.946 2.701 0.365
39 H12 H H12 N N N 0 -5.063 -0.128 -0.816
40 H13 H H13 N N N 0 -4.115 1.276 -1.394
41 H14 H H14 N N N 0 -1.615 -1.161 1.851
42 H15 H H15 N N N 0 -1.002 -3.516 1.478
43 H16 H H16 N N N 0 -1.998 -4.766 -0.395
44 H17 H H17 N N N 0 -3.608 -3.66 -1.895
45 H18 H H18 N N N 0 -4.219 -1.304 -1.523
46 H19 H H19 N N N 0 2.458 -0.883 -1.123
47 H20 H H20 N N N 0 4.438 -2.21 -0.514
48 H21 H H21 N N N 0 8.535 -1.255 1.353
49 H22 H H22 N N N 0 8.086 0.202 0.434
50 H23 H H23 N N N 0 7.409 -0.07 2.057
51 H24 H H24 N N N 0 6.382 1.328 0.887
52 H25 H H25 N N N 0 4.401 2.657 0.283
53 H26 H H26 N N N 0 2.283 2.642 -1.11