Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : ML1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 33


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 2.29 0.285 -0.045
2 C2 C C2 N Y N 0 -0.089 2.685 0.11
3 C3 C C3 N N N 0 -4.387 -2.766 -0.062
4 C4 C C4 N N N 0 4.451 -0.813 -0.293
5 C5 C C5 N N N 0 5.741 -1.339 0.282
6 C6 C C6 N N N 0 1.446 0.898 1.074
7 C8 C C8 N Y N 0 -1.069 0.656 0.261
8 C9 C C9 N Y N 0 -1.429 -0.679 0.458
9 C12 C C12 N Y N 0 -3.279 1.124 -0.596
10 C13 C C13 N Y N 0 -2.001 1.565 -0.271
11 C7 C C7 N Y N 0 0.156 1.424 0.5
12 C10 C C10 N Y N 0 -2.7 -1.099 0.12
13 C11 C C11 N Y N 0 -3.618 -0.199 -0.416
14 N1 N N1 N N N 0 3.544 -0.226 0.513
15 N2 N N2 N Y N 0 -1.372 2.789 -0.353
16 O1 O O1 N N N 0 -3.057 -2.398 0.31
17 O2 O O2 N N N 0 4.229 -0.918 -1.48
18 H11 H H11 N N N 0 1.739 -0.533 -0.51
19 H12A H H12A N N N 0 2.509 1.047 -0.793
20 H2 H H2 N N N 0 0.62 3.498 0.159
21 H31 H H31 N N N 0 -4.54 -3.826 0.141
22 H32 H H32 N N N 0 -5.101 -2.178 0.515
23 H33 H H33 N N N 0 -4.533 -2.575 -1.125
24 H51 H H51 N N N 0 5.608 -2.378 0.584
25 H52 H H52 N N N 0 6.526 -1.278 -0.472
26 H53 H H53 N N N 0 6.023 -0.742 1.149
27 H61 H H61 N N N 0 1.227 0.136 1.822
28 H62 H H62 N N N 0 1.997 1.716 1.539
29 H9 H H9 N N N 0 -0.719 -1.378 0.873
30 H12 H H12 N N N 0 -3.999 1.813 -1.012
31 H111 H H111 N N N 0 -4.612 -0.536 -0.67
32 HN1 H HN1 N N N 0 3.722 -0.142 1.463
33 H16 H H16 N N N 0 -1.78 3.604 -0.686