Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A1AL1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 46


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N Y N 0 -3.137 -1.453 0.608
2 N3 N N2 N N N 0 -6.263 1.143 1.025
3 C4 C C1 N Y N 0 -2.961 -0.207 0.174
4 C5 C C2 N Y N 0 -4.279 -1.825 1.15
5 C6 C C3 N Y N 0 -5.194 0.272 0.877
6 C7 C C4 N Y N 0 -4.004 0.706 0.299
7 C8 C C5 N Y N 0 0.654 -0.064 -0.567
8 C10 C C6 N Y N 0 1.985 1.767 -1.33
9 C13 C C7 N Y N 0 1.753 -0.569 0.096
10 C15 C C8 N N N 0 5.367 1.809 0.311
11 O1 O O1 N N N 0 4.041 -0.254 2.316
12 S S S1 N N N 0 4.319 -0.594 0.965
13 O O O2 N N N 0 4.373 -1.95 0.545
14 C14 C C9 N N N 0 5.763 0.326 0.356
15 C16 C C10 N N N 0 4.381 2.026 -0.824
16 C11 C C11 N Y N 0 3.102 1.258 -0.669
17 C9 C C12 N Y N 0 0.773 1.114 -1.28
18 C12 C C13 N Y N 0 2.971 0.094 0.054
19 C3 C C14 S N N 0 -0.664 -0.794 -0.52
20 C1 C C15 N N N 0 -0.845 -1.602 -1.807
21 C2 C C16 N N N 0 0.294 -2.615 -1.938
22 C C C17 N N N 0 -2.183 -2.343 -1.759
23 N N N3 N N N 0 -1.755 0.176 -0.394
24 CL CL CL1 N N N 0 -3.826 2.343 -0.252
25 N2 N N4 N Y N 0 -5.29 -0.992 1.286
26 H10 H H1 N N N 0 -6.185 2.062 0.724
27 H11 H H2 N N N 0 -7.089 0.833 1.428
28 H9 H H3 N N N 0 -4.39 -2.844 1.492
29 H13 H H4 N N N 0 2.072 2.688 -1.888
30 H14 H H5 N N N 0 1.665 -1.489 0.655
31 H17 H H6 N N N 0 4.903 2.092 1.255
32 H18 H H7 N N N 0 6.255 2.419 0.144
33 H16 H H8 N N N 0 6.029 -0.018 -0.643
34 H15 H H9 N N N 0 6.605 0.187 1.035
35 H19 H H10 N N N 0 4.145 3.088 -0.882
36 H20 H H11 N N N 0 4.855 1.724 -1.758
37 H12 H H12 N N N 0 -0.082 1.522 -1.798
38 H H H13 N N N 0 -0.675 -1.467 0.337
39 H4 H H14 N N N 0 -0.833 -0.928 -2.664
40 H5 H H15 N N N 0 0.282 -3.288 -1.081
41 H7 H H16 N N N 0 0.165 -3.19 -2.855
42 H6 H H17 N N N 0 1.247 -2.087 -1.972
43 H1 H H18 N N N 0 -2.995 -1.621 -1.665
44 H2 H H19 N N N 0 -2.312 -2.918 -2.675
45 H3 H H20 N N N 0 -2.195 -3.016 -0.902
46 H8 H H21 N N N 0 -1.634 1.085 -0.709