Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JLR

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N3 N N1 N N N 0 0.419 1.708 0.004
2 C5 C C1 N N N 0 -1.807 2.144 -0.142
3 C6 C C2 N N N 0 -1.566 3.539 0.262
4 C8 C C3 N Y N 0 -3.177 1.668 -0.422
5 C13 C C4 N Y N 0 -3.07 -1.891 0.124
6 C15 C C5 N Y N 0 1.452 0.774 -0.126
7 C22 C C6 N Y N 0 1.156 -0.561 -0.376
8 C24 C C7 N Y N 0 3.493 -1.081 -0.385
9 C26 C C8 N Y N 0 -3.036 -0.566 0.61
10 C28 C C9 N Y N 0 -1.692 -2.582 2.012
11 C1 C C10 N N N 0 -0.225 3.917 0.511
12 C2 C C11 N N N 0 0.736 2.969 0.375
13 N4 N N2 N N N 0 -0.78 1.327 -0.24
14 O7 O O1 N N N 0 -2.484 4.337 0.376
15 N9 N N3 N Y N 0 -3.701 0.454 -0.075
16 N10 N N4 N Y N 0 -5.025 0.416 -0.53
17 C11 C C12 N Y N 0 -5.299 1.549 -1.126
18 C12 C C13 N Y N 0 -4.168 2.366 -1.076
19 C14 C C14 N N N 0 6.091 -0.366 -0.173
20 C16 C C15 N Y N 0 2.774 1.18 -0.011
21 O17 O O2 N N N 0 5.091 0.645 -0.028
22 C18 C C16 N Y N 0 3.795 0.251 -0.14
23 F19 F F1 N N N 0 5.984 -0.95 -1.44
24 F20 F F2 N N N 0 7.358 0.209 -0.03
25 F21 F F3 N N N 0 5.909 -1.346 0.809
26 C23 C C17 N Y N 0 2.176 -1.483 -0.504
27 C25 C C18 N Y N 0 -2.389 -2.908 0.836
28 C27 C C19 N Y N 0 -3.771 -2.219 -1.047
29 C29 C C20 N Y N 0 -2.423 -4.228 0.352
30 C30 C C21 N Y N 0 -2.341 -0.288 1.767
31 C31 C C22 N Y N 0 -3.787 -3.508 -1.484
32 C32 C C23 N Y N 0 -1.676 -1.296 2.458
33 C33 C C24 N Y N 0 -3.108 -4.508 -0.79
34 H1 H H1 N N N 0 0.127 -0.877 -0.469
35 H2 H H2 N N N 0 4.288 -1.805 -0.486
36 H3 H H3 N N N 0 -1.17 -3.352 2.562
37 H4 H H4 N N N 0 0.025 4.925 0.808
38 H5 H H5 N N N 0 1.768 3.225 0.566
39 H6 H H6 N N N 0 -6.244 1.811 -1.578
40 H7 H H7 N N N 0 -4.085 3.364 -1.479
41 H8 H H8 N N N 0 3.007 2.217 0.179
42 H9 H H9 N N N 0 1.944 -2.52 -0.697
43 H10 H H10 N N N 0 -4.295 -1.452 -1.599
44 H11 H H11 N N N 0 -1.908 -5.014 0.883
45 H12 H H12 N N N 0 -2.313 0.725 2.142
46 H13 H H13 N N N 0 -4.327 -3.758 -2.385
47 H14 H H14 N N N 0 -1.138 -1.054 3.363
48 H15 H H15 N N N 0 -3.133 -5.523 -1.16