Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 9I9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 72


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 F2 F F1 N N N 0 10.238 -3.887 0.4
2 C24 C C1 N N N 0 10.181 -2.616 0.982
3 F F F2 N N N 0 10.063 -2.745 2.371
4 F1 F F3 N N N 0 11.349 -1.91 0.677
5 C23 C C2 N Y N 0 8.987 -1.87 0.444
6 C22 C C3 N Y N 0 7.767 -1.967 1.087
7 C21 C C4 N Y N 0 6.67 -1.285 0.599
8 C25 C C5 N Y N 0 9.118 -1.086 -0.688
9 C26 C C6 N Y N 0 8.029 -0.4 -1.185
10 C20 C C7 N Y N 0 6.795 -0.499 -0.545
11 C19 C C8 N Y N 0 5.62 0.236 -1.075
12 C18 C C9 N Y N 0 4.387 0.138 -0.434
13 C27 C C10 N Y N 0 5.747 1.032 -2.211
14 C28 C C11 N Y N 0 4.651 1.714 -2.7
15 C29 C C12 N Y N 0 3.428 1.607 -2.064
16 C17 C C13 N Y N 0 3.297 0.824 -0.932
17 C12 C C14 R N N 0 1.96 0.713 -0.244
18 N3 N N1 N N N 0 1.366 2.045 -0.114
19 C13 C C15 N N N 0 1.672 2.819 0.946
20 O3 O O1 N N N 0 2.507 2.451 1.745
21 C14 C C16 S N N 0 0.977 4.142 1.14
22 N4 N N2 N N N 0 1.101 4.56 2.542
23 C15 C C17 R N N 0 1.621 5.194 0.234
24 C16 C C18 N N N 0 1.0 6.562 0.52
25 O2 O O2 N N N 0 3.026 5.246 0.49
26 C11 C C19 N N N 0 1.034 -0.181 -1.072
27 N2 N N3 N N N 0 -0.301 -0.193 -0.467
28 C C C20 N N N 0 -1.288 -0.918 -1.029
29 O O O3 N N N 0 -1.072 -1.56 -2.035
30 C1 C C21 N N N 0 -2.661 -0.93 -0.407
31 C2 C C22 N N N 0 -3.588 -1.823 -1.234
32 N N N4 N N N 0 -4.922 -1.835 -0.63
33 C10 C C23 N N N 0 -5.839 -0.915 -1.01
34 O1 O O4 N N N 0 -5.578 -0.072 -1.848
35 C9 C C24 N Y N 0 -7.161 -0.973 -0.372
36 C4 C C25 N Y N 0 -7.389 -1.981 0.592
37 N1 N N5 N N N 0 -6.387 -2.847 0.888
38 C3 C C26 N N N 0 -5.23 -2.774 0.303
39 C8 C C27 N Y N 0 -8.175 -0.072 -0.692
40 C7 C C28 N Y N 0 -9.397 -0.171 -0.063
41 CL1 CL CL1 N N N 0 -10.663 0.949 -0.458
42 C6 C C29 N Y N 0 -9.624 -1.162 0.887
43 CL CL CL2 N N N 0 -11.173 -1.266 1.664
44 C5 C C30 N Y N 0 -8.634 -2.062 1.217
45 H1 H H1 N N N 0 7.671 -2.577 1.973
46 H2 H H2 N N N 0 5.718 -1.362 1.102
47 H3 H H3 N N N 0 10.075 -1.011 -1.184
48 H4 H H4 N N N 0 8.132 0.212 -2.069
49 H5 H H5 N N N 0 4.283 -0.474 0.449
50 H6 H H6 N N N 0 6.702 1.116 -2.709
51 H7 H H7 N N N 0 4.749 2.331 -3.581
52 H8 H H8 N N N 0 2.572 2.143 -2.449
53 H9 H H9 N N N 0 2.096 0.277 0.746
54 H10 H H10 N N N 0 0.752 2.371 -0.791
55 H11 H H11 N N N 0 -0.078 4.039 0.883
56 H12 H H12 N N N 0 2.07 4.663 2.804
57 H13 H H13 N N N 0 0.588 5.413 2.712
58 H15 H H15 N N N 0 1.451 4.928 -0.809
59 H16 H H16 N N N 0 1.169 6.828 1.564
60 H17 H H17 N N N 0 1.459 7.312 -0.125
61 H18 H H18 N N N 0 -0.072 6.523 0.325
62 H19 H H19 N N N 0 3.252 5.477 1.401
63 H20 H H20 N N N 0 0.969 0.207 -2.088
64 H21 H H21 N N N 0 1.432 -1.195 -1.094
65 H22 H H22 N N N 0 -0.473 0.321 0.338
66 H23 H H23 N N N 0 -2.596 -1.317 0.61
67 H24 H H24 N N N 0 -3.059 0.085 -0.384
68 H25 H H25 N N N 0 -3.653 -1.436 -2.251
69 H26 H H26 N N N 0 -3.19 -2.838 -1.257
70 H27 H H27 N N N 0 -4.472 -3.493 0.576
71 H28 H H28 N N N 0 -8.003 0.7 -1.428
72 H29 H H29 N N N 0 -8.822 -2.828 1.956