Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 1I2

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 68


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C02 C C1 N N N 0 0.585 -1.68 -0.181
2 C03 C C2 N Y N 0 -0.776 -1.107 -0.152
3 C06 C C3 N Y N 0 -3.024 1.561 -0.245
4 C07 C C4 N Y N 0 -2.6 2.623 0.547
5 C09 C C5 N Y N 0 -3.256 3.838 0.48
6 C10 C C6 N Y N 0 -4.335 3.997 -0.374
7 C12 C C7 N Y N 0 -4.758 2.94 -1.163
8 C13 C C8 N Y N 0 -4.102 1.726 -1.104
9 C14 C C9 N Y N 0 -2.974 -0.886 -0.047
10 C15 C C10 N Y N 0 -4.429 -1.133 0.052
11 C16 C C11 N Y N 0 -5.189 -0.471 1.017
12 C17 C C12 N Y N 0 -6.545 -0.705 1.104
13 C18 C C13 N Y N 0 -7.154 -1.596 0.235
14 C20 C C14 N Y N 0 -6.405 -2.256 -0.725
15 C21 C C15 N Y N 0 -5.049 -2.025 -0.824
16 C22 C C16 N Y N 0 -1.984 -1.828 -0.024
17 C23 C C17 N N N 0 -2.146 -3.32 0.11
18 C25 C C18 N N N 0 3.005 -1.436 -0.325
19 C26 C C19 N N N 0 4.03 -0.31 -0.472
20 C28 C C20 N N N 0 6.396 0.177 -0.634
21 C29 C C21 N N N 0 6.73 0.749 0.745
22 C30 C C22 N N N 0 7.275 -0.365 1.641
23 C31 C C23 N N N 0 7.661 -0.41 -1.263
24 C32 C C24 N N N 0 8.206 -1.524 -0.367
25 C33 C C25 N N N 0 8.54 -0.952 1.012
26 C34 C C26 N N N 0 9.595 0.148 0.866
27 C35 C C27 N N N 0 9.05 1.262 -0.03
28 C36 C C28 N N N 0 7.784 1.849 0.599
29 C37 C C29 N N N 0 8.715 0.689 -1.409
30 F08 F F1 N N N 0 -1.548 2.467 1.38
31 F11 F F2 N N N 0 -4.975 5.185 -0.438
32 N04 N N1 N Y N 0 -1.087 0.172 -0.236
33 N05 N N2 N Y N 0 -2.361 0.328 -0.179
34 N24 N N3 N N N 0 1.655 -0.869 -0.303
35 N27 N N4 N N N 0 5.384 -0.878 -0.494
36 H2 H H2 N N N 0 -5.6 3.066 -1.827
37 O01 O O1 N N N 0 0.741 -2.882 -0.089
38 CL1 CL CL1 N N N 0 -8.861 -1.886 0.35
39 H1 H H1 N N N 0 -2.928 4.664 1.094
40 H3 H H3 N N N 0 -4.434 0.902 -1.719
41 H4 H H4 N N N 0 -4.715 0.223 1.695
42 H5 H H5 N N N 0 -7.134 -0.194 1.851
43 H6 H H6 N N N 0 -6.885 -2.949 -1.4
44 H7 H H7 N N N 0 -4.466 -2.541 -1.574
45 H8 H H8 N N N 0 -2.243 -3.765 -0.88
46 H9 H H9 N N N 0 -1.273 -3.737 0.613
47 H10 H H10 N N N 0 -3.04 -3.537 0.695
48 H11 H H11 N N N 0 3.097 -2.123 -1.167
49 H12 H H12 N N N 0 3.188 -1.975 0.604
50 H13 H H13 N N N 0 3.846 0.229 -1.402
51 H14 H H14 N N N 0 3.938 0.377 0.37
52 H15 H H15 N N N 0 6.008 0.971 -1.273
53 H16 H H16 N N N 0 5.829 1.168 1.193
54 H17 H H17 N N N 0 7.513 0.043 2.623
55 H18 H H18 N N N 0 6.524 -1.148 1.745
56 H19 H H19 N N N 0 7.423 -0.818 -2.246
57 H20 H H20 N N N 0 7.455 -2.307 -0.263
58 H21 H H21 N N N 0 9.108 -1.942 -0.815
59 H22 H H22 N N N 0 8.929 -1.745 1.65
60 H23 H H23 N N N 0 9.833 0.555 1.849
61 H24 H H24 N N N 0 10.496 -0.271 0.418
62 H25 H H25 N N N 0 9.801 2.045 -0.134
63 H26 H H26 N N N 0 7.396 2.642 -0.039
64 H27 H H27 N N N 0 8.022 2.256 1.581
65 H28 H H28 N N N 0 9.617 0.271 -1.857
66 H29 H H29 N N N 0 8.327 1.483 -2.047
67 H30 H H30 N N N 0 1.53 0.09 -0.377
68 H31 H H31 N N N 0 5.555 -1.437 0.328