Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 985

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 47


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 -0.011 0.731 0.076
2 N2 N N2 N Y N 0 -1.222 0.181 0.1
3 C3 C C3 N Y N 0 -2.297 0.956 0.138
4 C4 C C4 N Y N 0 -2.155 2.342 0.152
5 N5 N N5 N Y N 0 -0.951 2.885 0.128
6 C6 C C6 N Y N 0 0.123 2.117 0.091
7 N1 N N1 N N N 0 -3.564 0.387 0.162
8 C2 C C2 N N N 0 -3.813 -0.373 -1.039
9 C11 C C11 N N N 0 -5.269 -0.251 -1.523
10 N3 N N3 N N N 0 -6.25 -0.311 -0.414
11 C5 C C5 N N N 0 -5.954 -1.307 0.586
12 C14 C C14 N N N 0 -5.14 -0.645 1.717
13 C7 C C7 N N N 0 -3.735 -0.479 1.352
14 C8 C C8 N N N 0 -7.617 -0.47 -0.927
15 C10 C C10 N Y N 0 3.444 -1.766 -0.028
16 C16 C C16 N Y N 0 2.184 -2.327 -0.003
17 C12 C C12 N Y N 0 1.062 -1.52 0.031
18 C13 C C13 N Y N 0 1.196 -0.132 0.04
19 C17 C C17 N Y N 0 2.462 0.443 0.015
20 C15 C C15 N Y N 0 3.593 -0.375 -0.019
21 C18 C C18 N N N 0 4.937 0.224 -0.046
22 C19 C C19 N N N 0 6.028 -0.569 -0.078
23 C9 C C9 N N N 0 7.364 0.026 -0.105
24 O1 O O1 N N N 0 8.455 -0.767 -0.137
25 O2 O O2 N N N 0 7.491 1.235 -0.097
26 H4 H H4 N N N 0 -3.03 2.974 0.183
27 H6 H H6 N N N 0 1.105 2.565 0.072
28 H2 H H2 N N N 0 -3.149 -0.015 -1.826
29 H2A H H2A N N N 0 -3.595 -1.423 -0.844
30 H11 H H11 N N N 0 -5.388 0.698 -2.047
31 H11A H H11A N N N 0 -5.477 -1.063 -2.22
32 H5 H H5 N N N 0 -6.884 -1.707 0.991
33 H5A H H5A N N N 0 -5.37 -2.112 0.139
34 H14 H H14 N N N 0 -5.568 0.334 1.936
35 H14A H H14A N N N 0 -5.202 -1.266 2.61
36 H7 H H7 N N N 0 -3.306 -1.458 1.141
37 H7A H H7A N N N 0 -3.201 -0.034 2.192
38 H8 H H8 N N N 0 -7.702 -1.427 -1.442
39 H8A H H8A N N N 0 -8.323 -0.44 -0.097
40 H8B H H8B N N N 0 -7.84 0.339 -1.623
41 H10 H H10 N N N 0 4.317 -2.402 -0.05
42 H16 H H16 N N N 0 2.073 -3.401 -0.01
43 H12 H H12 N N N 0 0.079 -1.966 0.051
44 H17 H H17 N N N 0 2.57 1.518 0.022
45 H18 H H18 N N N 0 5.05 1.298 -0.039
46 H19 H H19 N N N 0 5.915 -1.643 -0.085
47 HO1 H HO1 N N N 0 9.292 -0.283 -0.153