Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 94I

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 C5 C C1 N Y N 0 -0.148 -0.351 0.082
2 C3 C C2 N Y N 0 -0.527 -2.765 -0.474
3 C2 C C3 N Y N 0 -2.42 -3.83 0.275
4 C7 C C4 N Y N 0 1.265 1.942 -0.044
5 C14 C C5 N N N 0 -2.726 0.211 -1.138
6 C13 C C6 N N N 0 -4.085 -0.256 -0.887
7 C12 C C7 N N N 0 -5.059 0.923 -0.664
8 C9 C C8 N N N 0 -2.607 2.35 -0.09
9 C10 C C9 N N N 0 -3.841 2.612 0.794
10 C16 C C10 N N N 0 5.36 -0.666 0.007
11 N4 N N1 N Y N 0 -0.06 2.013 -0.056
12 N6 N N2 N N N 0 3.982 -0.591 -0.006
13 N8 N N3 N N N 0 5.982 -1.891 -0.041
14 O1 O O1 N N N 0 4.036 1.628 0.093
15 C15 C C11 N N N 0 3.372 0.61 0.041
16 N7 N N4 N N N 0 6.071 0.424 0.063
17 C6 C C12 N Y N 0 1.901 0.69 0.027
18 N3 N N5 N Y N 0 1.173 -0.423 0.088
19 N9 N N6 N N N 0 2.02 3.098 -0.108
20 C8 C C13 N Y N 0 -0.785 0.905 0.005
21 C4 C C14 N Y N 0 -0.958 -1.59 0.149
22 N2 N N7 N Y N 0 -1.281 -3.847 -0.389
23 N1 N N8 N Y N 0 -2.865 -2.743 0.873
24 C1 C C15 N Y N 0 -2.174 -1.616 0.838
25 N5 N N9 N N N 0 -2.164 0.979 -0.007
26 C11 C C16 N N N 0 -4.863 1.458 0.729
27 H1 H H1 N N N 0 0.404 -2.786 -1.02
28 H2 H H2 N N N 0 -3.01 -4.733 0.325
29 H3 H H3 N N N 0 -2.088 -0.652 -1.327
30 H4 H H4 N N N 0 -2.73 0.845 -2.024
31 H5 H H5 N N N 0 -4.424 -0.84 -1.743
32 H6 H H6 N N N 0 -4.852 1.709 -1.39
33 H7 H H7 N N N 0 -2.858 2.579 -1.126
34 H8 H H8 N N N 0 -1.797 3.004 0.232
35 H9 H H9 N N N 0 -3.516 2.737 1.827
36 H10 H H10 N N N 0 -4.324 3.531 0.463
37 H11 H H11 N N N 0 3.453 -1.403 -0.048
38 H12 H H12 N N N 0 5.453 -2.702 -0.083
39 H13 H H13 N N N 0 6.951 -1.943 -0.032
40 H14 H H14 N N N 0 7.04 0.371 0.072
41 H15 H H15 N N N 0 1.585 3.954 -0.239
42 H16 H H16 N N N 0 2.985 3.052 -0.021
43 H17 H H17 N N N 0 -2.544 -0.73 1.333
44 H18 H H18 N N N 0 -5.821 1.816 1.105
45 H19 H H19 N N N 0 -4.518 0.647 1.37
46 H20 H H20 N N N 0 -4.086 -0.89 -0.001
47 H21 H H21 N N N 0 -6.085 0.576 -0.783