Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DIF

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 30


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 0.619 0.068 -3.8
2 C2 C C2 N Y N 0 1.005 0.243 -2.485
3 CL2 CL CL2 N N N 0 2.508 1.03 -2.117
4 C3 C C3 N Y N 0 0.188 -0.211 -1.457
5 C4 C C4 N Y N 0 -1.011 -0.846 -1.756
6 CL4 CL CL4 N N N 0 -2.035 -1.417 -0.476
7 C5 C C5 N Y N 0 -1.392 -1.013 -3.074
8 C6 C C6 N Y N 0 -0.577 -0.559 -4.094
9 N1 N N1 N N N 0 0.574 -0.035 -0.124
10 C7 C C7 N Y N 0 0.146 0.87 2.071
11 C8 C C8 N Y N 0 -0.23 0.704 0.744
12 C9 C C9 N Y N 0 -1.415 1.267 0.286
13 C10 C C10 N Y N 0 -2.208 1.999 1.148
14 C11 C C11 N Y N 0 -1.827 2.167 2.467
15 C12 C C12 N Y N 0 -0.651 1.603 2.927
16 C13 C C13 N N N 0 1.427 0.256 2.573
17 C14 C C14 N N N 0 1.149 -1.129 3.095
18 O1 O O1 N N N 0 2.149 -1.871 3.597
19 O2 O O2 N N N 0 0.026 -1.573 3.062
20 H1 H H1 N N N 0 1.253 0.421 -4.6
21 H5 H H5 N N N 0 -2.326 -1.502 -3.307
22 H6 H H6 N N N 0 -0.876 -0.694 -5.123
23 HN1 H HN1 N N N 0 1.402 -0.428 0.196
24 H9 H H9 N N N 0 -1.713 1.136 -0.743
25 H10 H H10 N N N 0 -3.127 2.44 0.791
26 H11 H H11 N N N 0 -2.449 2.739 3.139
27 H12 H H12 N N N 0 -0.356 1.737 3.957
28 H131 H 1H13 N N N 0 1.835 0.871 3.376
29 H132 H 2H13 N N N 0 2.148 0.199 1.757
30 HO1 H HO1 N N N 0 1.971 -2.76 3.932