Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : C9I

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 CAA C C1 N Y N 0 5.96 0.649 -0.844
2 CAB C C2 N Y N 0 6.273 -0.529 -0.169
3 CAD C C3 N Y N 0 4.153 -0.656 0.734
4 CAE C C4 N Y N 0 3.773 0.523 0.099
5 CAF C C5 N Y N 0 4.693 1.187 -0.71
6 CAG C C6 N N N 0 7.628 -1.111 -0.299
7 CAK C C7 N N N 0 1.417 0.413 1.068
8 CAL C C8 R N N 0 0.219 1.366 0.892
9 CAN C C9 N N N 0 2.006 2.148 -0.303
10 CAP C C10 N N N 0 -0.939 0.646 0.251
11 CAR C C11 S N N 0 -2.676 -1.063 0.281
12 CAS C C12 N Y N 0 -3.953 -0.319 0.574
13 CAU C C13 N N N 0 -2.77 -2.482 0.846
14 CAV C C14 N N N 0 -1.527 -3.276 0.442
15 CAW C C15 N Y N 0 -5.046 -0.418 -0.305
16 CAX C C16 N Y N 0 -6.239 0.288 -0.012
17 CAY C C17 N Y N 0 -6.306 1.074 1.151
18 CAZ C C18 N Y N 0 -5.228 1.147 1.979
19 CBA C C19 N Y N 0 -4.057 0.447 1.694
20 CBB C C20 N Y N 0 -4.978 -1.205 -1.467
21 CBC C C21 N Y N 0 -6.057 -1.277 -2.294
22 CBD C C22 N Y N 0 -7.23 -0.582 -2.007
23 CBE C C23 N Y N 0 -7.331 0.189 -0.89
24 NAC N N1 N Y N 0 5.368 -1.136 0.59
25 NAH N N2 N N N 0 2.48 1.026 0.258
26 NAI N N3 N N N 0 8.521 -0.521 -1.041
27 NAJ N N4 N N N 0 7.945 -2.276 0.365
28 NAQ N N5 N N N 0 -1.549 -0.363 0.904
29 OAM O O1 N N N 0 0.726 2.41 0.01
30 OAO O O2 N N N 0 2.672 2.861 -1.026
31 OAT O O3 N N N 0 -1.323 0.976 -0.851
32 H1 H H1 N N N 0 6.7 1.14 -1.459
33 H2 H H2 N N N 0 3.444 -1.177 1.36
34 H3 H H3 N N N 0 4.423 2.099 -1.221
35 H4 H H4 N N N 0 1.715 0.362 2.115
36 H5 H H5 N N N 0 1.173 -0.581 0.692
37 H6 H H6 N N N 0 -0.078 1.788 1.852
38 H7 H H7 N N N 0 -2.522 -1.111 -0.797
39 H8 H H8 N N N 0 -2.834 -2.436 1.934
40 H9 H H9 N N N 0 -3.659 -2.972 0.45
41 H10 H H10 N N N 0 -1.463 -3.322 -0.645
42 H11 H H11 N N N 0 -0.637 -2.785 0.838
43 H12 H H12 N N N 0 -1.594 -4.286 0.845
44 H13 H H13 N N N 0 -7.207 1.622 1.385
45 H14 H H14 N N N 0 -5.283 1.752 2.872
46 H15 H H15 N N N 0 -3.216 0.522 2.367
47 H16 H H16 N N N 0 -4.076 -1.748 -1.703
48 H17 H H17 N N N 0 -6.003 -1.882 -3.187
49 H18 H H18 N N N 0 -8.071 -0.656 -2.68
50 H19 H H19 N N N 0 -8.247 0.722 -0.679
51 H20 H H20 N N N 0 9.409 -0.902 -1.126
52 H21 H H21 N N N 0 7.28 -2.716 0.918
53 H22 H H22 N N N 0 8.833 -2.657 0.28
54 H23 H H23 N N N 0 -1.242 -0.627 1.785