Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 47I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 51


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O1 O O1 N N N 0 -8.902 1.65 0.034
2 C18 C C1 N Y N 0 -7.608 1.236 0.023
3 C23 C C2 N Y N 0 -7.313 -0.109 -0.152
4 C22 C C3 N Y N 0 -6.001 -0.533 -0.165
5 C21 C C4 N Y N 0 -4.97 0.391 -0.001
6 C20 C C5 N Y N 0 -5.269 1.741 0.175
7 C19 C C6 N Y N 0 -6.583 2.16 0.18
8 C2 C C7 N Y N 0 -3.558 -0.062 -0.007
9 C3 C C8 N Y N 0 -2.527 0.87 0.164
10 C4 C C9 N Y N 0 -1.224 0.468 0.16
11 C6 C C10 N Y N 0 -0.911 -0.883 -0.015
12 C7 C C11 N Y N 0 -1.94 -1.828 -0.187
13 N2 N N1 N Y N 0 -1.337 -3.052 -0.333
14 N1 N N2 N Y N 0 0.05 -2.895 -0.255
15 C1 C C12 N Y N 0 -3.266 -1.408 -0.177
16 C5 C C13 N Y N 0 0.349 -1.633 -0.068
17 C11 C C14 N Y N 0 1.711 -1.066 0.065
18 C10 C C15 N Y N 0 2.713 -1.797 0.705
19 C9 C C16 N Y N 0 3.979 -1.267 0.827
20 C12 C C17 N Y N 0 1.996 0.197 -0.453
21 C13 C C18 N Y N 0 3.265 0.722 -0.328
22 C8 C C19 N Y N 0 4.259 -0.006 0.315
23 N3 N N3 N N N 0 5.543 0.529 0.441
24 C15 C C20 N N N 0 5.62 1.865 -0.167
25 C16 C C21 N N N 0 6.548 -0.37 -0.145
26 C17 C C22 N N N 0 7.943 0.222 0.066
27 N4 N N4 N N N 1 8.014 1.545 -0.568
28 C14 C C23 N N N 0 7.022 2.438 0.045
29 H21 H H1 N N N 0 -8.112 -0.825 -0.279
30 H20 H H2 N N N 0 -5.772 -1.58 -0.3
31 H19 H H4 N N N 0 -4.473 2.46 0.301
32 H18 H H5 N N N 0 -6.816 3.205 0.316
33 H2 H H6 N N N 0 -2.765 1.914 0.299
34 H3 H H7 N N N 0 -0.435 1.193 0.292
35 H4 H H8 N N N 0 -1.801 -3.894 -0.468
36 H1 H H9 N N N 0 -4.063 -2.125 -0.307
37 H6 H H10 N N N 0 2.495 -2.776 1.104
38 H5 H H11 N N N 0 4.755 -1.833 1.322
39 H7 H H12 N N N 0 1.224 0.763 -0.952
40 H8 H H13 N N N 0 3.486 1.7 -0.729
41 H12 H H14 N N N 0 5.414 1.791 -1.235
42 H11 H H15 N N N 0 4.884 2.52 0.301
43 H14 H H16 N N N 0 6.489 -1.345 0.338
44 H13 H H17 N N N 0 6.357 -0.481 -1.213
45 H15 H H18 N N N 0 8.138 0.32 1.134
46 H16 H H19 N N N 0 8.688 -0.435 -0.38
47 H17 H H20 N N N 0 8.938 1.93 -0.439
48 H9 H H22 N N N 0 7.085 3.424 -0.417
49 H10 H H23 N N N 0 7.222 2.525 1.113
50 H24 H H24 N N N 0 -9.307 1.65 0.912
51 H23 H H25 N N N 0 7.822 1.456 -1.554