Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : I91

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 36


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C5 C C1 N Y N 0 4.673 1.791 -0.51
2 C6 C C2 N Y N 0 3.66 0.876 -0.241
3 C4 C C3 N Y N 0 5.94 1.59 0.01
4 C3 C C4 N Y N 0 6.208 0.485 0.797
5 C2 C C5 N Y N 0 5.212 -0.435 1.074
6 C1 C C6 N Y N 0 3.931 -0.245 0.565
7 C9 C C7 N Y N 0 1.236 0.104 -0.506
8 C14 C C8 N Y N 0 -0.791 -1.705 0.085
9 C13 C C9 N N N 0 -4.734 1.311 1.594
10 C11 C C10 N Y N 0 -1.05 -0.604 -0.72
11 C10 C C11 N Y N 0 -0.046 0.297 -1.016
12 O5 O O1 N N N 0 -2.626 0.863 -2.099
13 S S S1 N N N 0 -2.67 -0.355 -1.368
14 O4 O O2 N N N 0 -3.066 -1.593 -1.943
15 N N N1 N N N 0 -3.678 -0.092 -0.081
16 C12 C C12 N N N 0 -3.497 1.093 0.761
17 O3 O O3 N N N 0 -5.67 0.554 1.495
18 O2 O O4 N N N 0 -4.795 2.346 2.446
19 O6 O O5 N N N 0 -1.785 -2.584 0.369
20 C15 C C13 N Y N 0 0.485 -1.911 0.602
21 C8 C C14 N Y N 0 1.503 -1.011 0.311
22 C C C15 N N N 0 2.861 -1.222 0.856
23 O O O6 N N N 0 3.097 -2.197 1.542
24 C7 C C16 N N N 0 2.306 1.078 -0.796
25 O1 O O7 N N N 0 2.072 2.047 -1.492
26 H3 H H1 N N N 0 4.472 2.654 -1.128
27 H2 H H2 N N N 0 6.725 2.302 -0.2
28 H1 H H3 N N N 0 7.2 0.339 1.197
29 H H H4 N N N 0 5.428 -1.296 1.689
30 H4 H H5 N N N 0 -0.255 1.152 -1.643
31 H5 H H6 N N N 0 -4.388 -0.723 0.115
32 H7 H H7 N N N 0 -3.326 1.965 0.129
33 H6 H H8 N N N 0 -2.639 0.946 1.416
34 H8 H H9 N N N 0 -5.609 2.445 2.959
35 H9 H H10 N N N 0 -1.904 -3.272 -0.3
36 H10 H H11 N N N 0 0.683 -2.769 1.228