Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IE1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 54


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N Y N 0 6.414 2.876 0.272
2 C11 C C2 N Y N 0 5.384 2.0 -0.005
3 C13 C C3 N N N 0 0.236 -1.139 0.121
4 C15 C C4 N N N 0 2.951 -3.535 -0.742
5 C16 C C5 N N N 0 -4.286 3.894 -0.031
6 C17 C C6 N N N 0 -5.407 3.931 -1.086
7 C18 C C7 N N N 0 -5.871 2.588 -0.493
8 C20 C C8 N N N 0 -3.706 1.377 0.299
9 C22 C C9 N N N 0 -4.239 0.017 0.193
10 C23 C C10 N N N 0 -3.559 -1.139 0.381
11 C26 C C11 N N N 0 -5.662 -0.378 -0.141
12 C27 C C12 N N N 0 -3.93 -3.617 0.336
13 C28 C C13 N N N 0 -2.121 -1.217 0.735
14 N1 N N1 N Y N 0 3.337 -2.127 -0.617
15 C2 C C14 N Y N 0 2.541 -1.056 -0.789
16 N3 N N2 N Y N 0 3.253 0.021 -0.585
17 C4 C C15 N Y N 0 4.512 -0.32 -0.28
18 N5 N N3 N Y N 0 4.609 -1.631 -0.288
19 C6 C C16 N Y N 0 5.616 0.627 0.019
20 C7 C C17 N Y N 0 6.887 0.145 0.324
21 C8 C C18 N Y N 0 7.91 1.03 0.6
22 C9 C C19 N Y N 0 7.676 2.392 0.57
23 C12 C C20 N N N 0 1.079 -1.092 -1.154
24 N14 N N4 N N N 0 -1.185 -1.173 -0.234
25 N19 N N5 N N N 0 -4.483 2.432 -0.018
26 O21 O O1 N N N 0 -2.562 1.555 0.674
27 N24 N N6 N N N 0 -4.372 -2.226 0.202
28 N25 N N7 N N N 0 -5.646 -1.853 -0.113
29 O29 O O2 N N N 0 -1.786 -1.321 1.898
30 H33 H H1 N N N 0 6.236 3.941 0.254
31 H34 H H2 N N N 0 4.401 2.379 -0.241
32 H38 H H3 N N N 0 0.49 -2.032 0.692
33 H37 H H4 N N N 0 0.438 -0.253 0.723
34 H41 H H5 N N N 0 3.1 -3.862 -1.771
35 H40 H H6 N N N 0 3.564 -4.141 -0.076
36 H42 H H7 N N N 0 1.901 -3.649 -0.473
37 H44 H H8 N N N 0 -3.313 4.203 -0.413
38 H43 H H9 N N N 0 -4.55 4.381 0.908
39 H46 H H10 N N N 0 -6.119 4.744 -0.942
40 H45 H H11 N N N 0 -5.047 3.856 -2.112
41 H47 H H12 N N N 0 -6.601 2.691 0.31
42 H48 H H13 N N N 0 -6.164 1.854 -1.244
43 H49 H H14 N N N 0 -6.352 0.01 0.609
44 H1 H H15 N N N 0 -5.935 -0.016 -1.132
45 H51 H H16 N N N 0 -4.145 -3.971 1.344
46 H50 H H17 N N N 0 -4.459 -4.237 -0.388
47 H52 H H18 N N N 0 -2.858 -3.676 0.15
48 H30 H H19 N N N 0 7.072 -0.919 0.345
49 H31 H H20 N N N 0 8.895 0.657 0.837
50 H32 H H21 N N N 0 8.479 3.081 0.786
51 H35 H H22 N N N 0 0.877 -1.978 -1.756
52 H36 H H23 N N N 0 0.826 -0.199 -1.725
53 H39 H H24 N N N 0 -1.452 -1.165 -1.166
54 H2 H H25 N N N 0 -5.925 -2.235 -1.005