Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : I7N

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 60


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 1.842 2.053 0.935
2 C2 C C2 N Y N 0 2.722 1.137 1.525
3 C3 C C3 N Y N 0 2.086 0.956 -1.19
4 C4 C C4 N Y N 0 2.963 0.036 -0.623
5 C5 C C5 N Y N 0 3.285 0.126 0.748
6 C6 C C6 N N N 0 4.216 -0.85 1.346
7 C7 C C7 N Y N 0 5.03 -1.709 0.458
8 O8 O O1 N N N 0 -3.009 -3.348 -0.37
9 O10 O O2 N N N 0 0.283 2.738 -2.501
10 C12 C C8 N Y N 0 4.708 -1.8 -0.909
11 C21 C C9 N N N 0 -5.135 -3.083 0.611
12 S S S1 N N N 0 0.424 3.117 -1.138
13 O O O3 N N N 0 0.866 4.404 -0.731
14 N N N1 N N N 0 -1.058 2.887 -0.434
15 C23 C C10 N N N 0 -2.02 1.936 -1.007
16 C17 C C11 R N N 0 -2.451 0.953 0.086
17 C18 C C12 N N N 0 -3.536 0.053 -0.448
18 O9 O O4 N N N 0 -3.925 0.183 -1.589
19 N1 N N2 N N N 0 -4.075 -0.895 0.344
20 C19 C C13 S N N 0 -5.13 -1.77 -0.174
21 C22 C C14 N N N 0 -3.846 -3.822 0.361
22 O7 O O5 N N N 0 -3.628 -5.008 0.95
23 C20 C C15 N N N 0 -6.466 -1.089 -0.023
24 O6 O O6 N N N 0 -6.53 0.014 0.468
25 O5 O O7 N N N 0 -7.585 -1.707 -0.433
26 C16 C C16 N N N 0 -2.981 1.735 1.29
27 C15 C C17 N N N 0 -1.87 2.624 1.852
28 C14 C C18 N N N 0 -1.432 3.626 0.779
29 C C C19 N Y N 0 1.532 1.956 -0.411
30 C13 C C20 N N N 0 3.561 -1.035 -1.444
31 O3 O O8 N N N 0 3.115 -1.285 -2.547
32 C11 C C21 N Y N 0 5.473 -2.607 -1.745
33 O4 O O9 N N N 0 4.313 -0.947 2.554
34 C10 C C22 N Y N 0 6.544 -3.315 -1.227
35 C9 C C23 N Y N 0 6.859 -3.226 0.116
36 C8 C C24 N Y N 0 6.109 -2.427 0.962
37 O2 O O10 N N N 0 3.025 1.234 2.843
38 O1 O O11 N N N 0 1.286 3.037 1.688
39 H3 H H1 N N N 0 1.838 0.889 -2.239
40 H18 H H2 N N N 0 -5.231 -2.87 1.676
41 H17 H H3 N N N 0 -5.975 -3.697 0.286
42 H20 H H4 N N N 0 -2.891 2.476 -1.377
43 H21 H H5 N N N 0 -1.551 1.392 -1.827
44 H14 H H6 N N N 0 -1.596 0.35 0.391
45 H15 H H7 N N N 0 -3.764 -0.999 1.257
46 H H H8 N N N 0 -4.945 -1.977 -1.228
47 H19 H H9 N N N 0 -2.786 -5.445 0.76
48 H16 H H10 N N N 0 -8.418 -1.231 -0.315
49 H12 H H12 N N N 0 -3.312 1.036 2.059
50 H13 H H11 N N N 0 -3.821 2.356 0.978
51 H11 H H13 N N N 0 -2.241 3.163 2.724
52 H10 H H14 N N N 0 -1.02 2.006 2.141
53 H9 H H15 N N N 0 -0.574 4.192 1.142
54 H8 H H16 N N N 0 -2.252 4.308 0.554
55 H7 H H17 N N N 0 5.231 -2.681 -2.795
56 H6 H H18 N N N 0 7.137 -3.941 -1.877
57 H5 H H19 N N N 0 7.697 -3.783 0.508
58 H4 H H20 N N N 0 6.36 -2.362 2.01
59 H1 H H22 N N N 0 1.806 3.852 1.715
60 H2 H H21 N N N 0 2.432 0.733 3.42