Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 94E

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 28


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 R N N 0 0.57 -1.074 0.717
2 C3 C C2 S N N 0 -1.703 -1.164 -0.343
3 C6 C C3 S N N 0 0.344 0.394 1.116
4 C2 C C4 R N N 0 -0.718 -1.857 0.599
5 C4 C C5 R N N 0 -1.996 0.236 0.208
6 C5 C C6 R N N 0 -0.701 1.044 0.204
7 C7 C C7 N N N 0 -0.99 2.462 0.699
8 O6 O O1 N N N 0 1.613 1.027 0.808
9 O1 O O2 N N N 0 1.278 -0.987 -0.533
10 O7 O O3 N N N 0 -1.875 3.114 -0.214
11 O4 O O4 N N N 0 -2.967 0.882 -0.617
12 O3 O O5 N N N 0 -2.915 -1.917 -0.412
13 O2 O O6 N N N 0 -0.427 -3.162 0.094
14 S14 S S1 N N N 0 2.247 0.186 -0.305
15 O15 O O7 N N N 0 3.44 -0.369 0.231
16 O16 O O8 N N N 0 2.212 0.979 -1.484
17 H1 H H1 N N N 0 1.208 -1.554 1.459
18 H2 H H2 N N N 0 -1.265 -1.082 -1.337
19 H3 H H3 N N N 0 0.09 0.49 2.172
20 H4 H H4 N N N 0 -1.172 -1.95 1.585
21 H5 H H5 N N N 0 -2.374 0.156 1.227
22 H6 H H6 N N N 0 -0.31 1.091 -0.812
23 H7 H H7 N N N 0 -1.453 2.416 1.684
24 H8 H H8 N N N 0 -0.057 3.022 0.762
25 H9 H H9 N N N 0 -2.103 4.019 0.038
26 H10 H H10 N N N 0 -3.812 0.415 -0.67
27 H11 H H11 N N N 0 -2.802 -2.815 -0.753
28 H12 H H12 N N N 0 -1.206 -3.726 -0.01