Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 230

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 56


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 -1.047 1.984 -1.014
2 N3 N N3 N N N 0 -5.606 -0.832 0.515
3 C4 C C4 N Y N 0 -2.193 1.276 -0.63
4 C5 C C5 N Y N 0 -3.229 1.084 -1.539
5 C6 C C6 N Y N 0 -4.359 0.385 -1.159
6 C7 C C7 N N N 0 0.124 1.763 -0.384
7 C8 C C8 N Y N 0 4.926 -3.846 0.026
8 C10 C C10 N Y N 0 5.159 -1.738 1.137
9 C13 C C13 N Y N 0 4.067 -3.272 -0.894
10 C15 C C15 N N N 0 -5.89 -2.01 -0.073
11 C17 C C17 N N N 0 -7.86 -2.211 1.265
12 C20 C C20 N N N 0 1.24 3.971 0.036
13 C21 C C21 R N N 0 1.325 2.614 -0.707
14 C22 C C22 N N N 0 3.456 3.032 0.298
15 C24 C C24 N N N 0 4.034 6.177 1.018
16 C1 C C1 N Y N 0 -4.46 -0.124 0.13
17 C2 C C2 N Y N 0 -3.426 0.069 1.036
18 C3 C C3 N Y N 0 -2.294 0.761 0.655
19 F1 F F1 N N N 0 -3.131 1.58 -2.791
20 O1 O O1 N N N 0 0.21 0.88 0.443
21 C9 C C9 N Y N 0 5.47 -3.08 1.042
22 C11 C C11 N Y N 0 4.292 -1.16 0.22
23 C12 C C12 N Y N 0 3.749 -1.931 -0.799
24 CL1 CL CL1 N N N 0 5.318 -5.534 -0.091
25 N2 N N2 N N N 0 3.976 0.201 0.314
26 C14 C C14 N N N 0 -6.422 -0.32 1.474
27 C16 C C16 N N N 0 -7.04 -2.723 0.303
28 C18 C C18 N N N 0 -7.537 -0.983 1.859
29 O2 O O2 N N N 0 -5.148 -2.457 -0.933
30 C19 C C19 R N N 0 2.734 4.382 0.105
31 N4 N N4 N N N 0 2.554 1.981 -0.196
32 O3 O O3 N N N 0 2.97 5.245 1.219
33 C23 C C23 N N N 0 2.809 0.657 -0.182
34 O4 O O4 N N N 0 1.986 -0.125 -0.618
35 HN1 H HN1 N N N 0 -1.095 2.63 -1.736
36 H6 H H6 N N N 0 -5.164 0.236 -1.863
37 H10 H H10 N N N 0 5.583 -1.14 1.931
38 H13 H H13 N N N 0 3.644 -3.872 -1.686
39 H17 H H17 N N N 0 -8.749 -2.746 1.567
40 H201 H 1H20 N N N 0 0.662 4.695 -0.539
41 H202 H 2H20 N N N 0 0.823 3.844 1.035
42 H21 H H21 N N N 0 1.398 2.774 -1.782
43 H221 H 1H22 N N N 0 4.384 3.023 -0.273
44 H222 H 2H22 N N N 0 3.667 2.872 1.355
45 H241 H 1H24 N N N 0 4.961 5.636 0.829
46 H242 H 2H24 N N N 0 3.804 6.812 0.162
47 H243 H 3H24 N N N 0 4.149 6.795 1.908
48 H2 H H2 N N N 0 -3.505 -0.326 2.038
49 H3 H H3 N N N 0 -1.487 0.906 1.359
50 H9 H H9 N N N 0 6.137 -3.532 1.761
51 H12 H H12 N N N 0 3.078 -1.483 -1.517
52 HN2 H HN2 N N N 0 4.597 0.815 0.737
53 H14 H H14 N N N 0 -6.177 0.627 1.934
54 H16 H H16 N N N 0 -7.273 -3.668 -0.166
55 H18 H H18 N N N 0 -8.177 -0.566 2.622
56 H19 H H19 N N N 0 3.047 4.857 -0.825