Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : H17

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 N1 N N1 N N N 0 -3.022 -0.948 -0.817
2 C4 C C1 N N N 0 4.742 3.053 -0.028
3 C5 C C2 N N N 0 3.306 2.471 -0.103
4 C6 C C3 R N N 0 3.545 1.022 -0.575
5 C7 C C4 N Y N 0 2.592 0.09 0.129
6 C8 C C5 N Y N 0 2.861 -0.328 1.418
7 C10 C C6 N Y N 0 0.846 -1.621 1.42
8 C13 C C7 N N N 0 -1.803 -0.722 -0.289
9 C15 C C8 N Y N 0 -3.883 1.24 -0.269
10 C17 C C9 N Y N 0 -6.217 1.535 0.178
11 C20 C C10 N Y N 0 1.447 -0.344 -0.514
12 O1 O O1 N N N 0 4.923 -1.384 -1.069
13 C2 C C11 N N N 0 5.534 -0.502 -0.497
14 C1 C C12 N N N 0 6.933 -0.719 -0.095
15 C C C13 N N N 0 7.528 -1.878 -0.358
16 N N N2 N N N 0 4.931 0.673 -0.231
17 C3 C C14 N N N 0 5.552 1.823 0.451
18 C11 C C15 N Y N 0 0.574 -1.199 0.132
19 C9 C C16 N Y N 0 1.987 -1.184 2.064
20 C12 C C17 N N N 0 -0.671 -1.676 -0.571
21 O O O2 N N N 0 -1.618 0.249 0.413
22 C14 C C18 N Y N 0 -4.096 -0.115 -0.483
23 C19 C C19 N Y N 0 -5.375 -0.642 -0.366
24 C18 C C20 N Y N 0 -6.433 0.184 -0.036
25 CL CL CL1 N N N 0 -8.033 -0.472 0.111
26 C16 C C21 N Y N 0 -4.944 2.06 0.066
27 H1 H H1 N N N 0 -3.155 -1.687 -1.433
28 H2 H H2 N N N 0 5.081 3.386 -1.01
29 H3 H H3 N N N 0 4.798 3.865 0.697
30 H4 H H4 N N N 0 2.833 2.484 0.879
31 H5 H H5 N N N 0 2.704 3.021 -0.826
32 H6 H H6 N N N 0 3.402 0.955 -1.654
33 H7 H H7 N N N 0 3.754 0.013 1.921
34 H8 H H8 N N N 0 0.163 -2.289 1.924
35 H9 H H9 N N N 0 -2.889 1.653 -0.359
36 H10 H H10 N N N 0 -7.044 2.178 0.44
37 H11 H H11 N N N 0 1.235 -0.014 -1.52
38 H12 H H12 N N N 0 7.476 0.065 0.413
39 H13 H H13 N N N 0 8.555 -2.037 -0.063
40 H14 H H14 N N N 0 6.985 -2.662 -0.865
41 H15 H H15 N N N 0 6.597 1.919 0.158
42 H16 H H16 N N N 0 5.469 1.712 1.532
43 H17 H H17 N N N 0 2.2 -1.514 3.07
44 H18 H H18 N N N 0 -0.934 -2.669 -0.209
45 H19 H H19 N N N 0 -0.489 -1.716 -1.645
46 H20 H H20 N N N 0 -5.543 -1.695 -0.533
47 H21 H H21 N N N 0 -4.778 3.114 0.233