Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 7I4

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 C11 C C1 N Y N 0 -0.674 -1.198 -0.072
2 C15 C C2 N Y N 0 3.466 -0.654 0.748
3 C16 C C3 N N N 0 4.932 -0.461 1.039
4 C18 C C4 N N N 0 7.123 -0.365 0.002
5 C19 C C5 N N N 0 7.067 1.137 0.317
6 C20 C C6 N N N 0 8.218 1.929 -0.246
7 O21 O O1 N N N 0 8.286 3.254 -0.04
8 C23 C C7 N N N 0 5.825 1.104 -0.586
9 C24 C C8 N Y N 0 2.995 -1.902 0.372
10 C26 C C9 N Y N 0 1.651 -2.083 0.105
11 C01 C C10 N N N 0 -10.017 2.142 0.668
12 C02 C C11 N N N 0 -8.679 1.401 0.712
13 C03 C C12 N N N 0 -8.924 -0.075 1.032
14 C04 C C13 N N N 0 -7.985 1.521 -0.646
15 C05 C C14 N Y N 0 -6.615 0.898 -0.566
16 C06 C C15 N Y N 0 -6.451 -0.445 -0.858
17 C07 C C16 N Y N 0 -5.199 -1.021 -0.786
18 C08 C C17 N Y N 0 -4.098 -0.248 -0.418
19 C09 C C18 N Y N 0 -2.754 -0.859 -0.339
20 N10 N N1 N Y N 0 -1.632 -0.25 -0.006
21 C12 C C19 N Y N 0 0.771 -1.009 0.214
22 C13 C C20 N Y N 0 1.251 0.243 0.593
23 C14 C C21 N Y N 0 2.594 0.412 0.863
24 N17 N N2 N N N 0 5.667 -0.317 -0.225
25 O22 O O2 N N N 0 9.081 1.372 -0.882
26 F25 F F1 N N N 0 3.851 -2.942 0.266
27 N27 N N3 N Y N 0 -1.253 -2.315 -0.43
28 O28 O O3 N Y N 0 -2.444 -2.141 -0.584
29 C29 C C22 N Y N 0 -4.271 1.106 -0.124
30 C30 C C23 N Y N 0 -5.526 1.671 -0.205
31 H1 H H1 N N N 0 5.067 0.437 1.642
32 H2 H H2 N N N 0 5.311 -1.325 1.584
33 H3 H H3 N N N 0 7.695 -0.599 -0.895
34 H4 H H4 N N N 0 7.409 -0.978 0.857
35 H5 H H5 N N N 0 6.853 1.366 1.361
36 H6 H H6 N N N 0 9.043 3.719 -0.421
37 H7 H H7 N N N 0 5.012 1.736 -0.229
38 H8 H H8 N N N 0 6.051 1.261 -1.64
39 H9 H H9 N N N 0 1.284 -3.056 -0.189
40 H10 H H10 N N N 0 -10.512 2.057 1.635
41 H11 H H11 N N N 0 -9.843 3.194 0.44
42 H12 H H12 N N N 0 -10.65 1.703 -0.104
43 H13 H H13 N N N 0 -8.047 1.84 1.484
44 H14 H H14 N N N 0 -7.971 -0.603 1.064
45 H15 H H15 N N N 0 -9.419 -0.16 1.999
46 H16 H H16 N N N 0 -9.557 -0.514 0.26
47 H17 H H17 N N N 0 -8.575 1.004 -1.402
48 H18 H H18 N N N 0 -7.89 2.573 -0.914
49 H19 H H19 N N N 0 -7.304 -1.042 -1.143
50 H20 H H20 N N N 0 -5.073 -2.069 -1.015
51 H21 H H21 N N N 0 0.572 1.078 0.679
52 H22 H H22 N N N 0 2.966 1.383 1.157
53 H24 H H24 N N N 0 -3.422 1.71 0.163
54 H25 H H25 N N N 0 -5.661 2.719 0.022