Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DY1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 57


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C2 C C1 N Y N 0 4.816 0.208 0.582
2 C3 C C2 N Y N 0 3.583 0.627 0.135
3 C5 C C3 N Y N 0 2.806 -1.661 0.198
4 C7 C C4 N Y N 0 0.665 -1.422 -0.493
5 C9 C C5 N N N 0 1.271 2.232 -0.14
6 C10 C C6 N Y N 0 -0.859 1.003 -0.458
7 C11 C C7 N Y N 0 -1.211 0.585 0.812
8 C12 C C8 N Y N 0 -2.543 0.536 1.179
9 C13 C C9 N Y N 0 -3.523 0.906 0.276
10 C15 C C10 N Y N 0 -1.839 1.373 -1.36
11 C18 C C11 N N N 0 -1.705 -0.704 -0.273
12 C20 C C12 N N N 0 -1.112 -3.134 -0.357
13 C21 C C13 N N N 0 -0.021 -4.127 -0.768
14 C22 C C14 N N N 0 1.266 -3.828 0.003
15 F3 F F1 N N N 0 6.275 -1.53 1.273
16 C1 C C15 N Y N 0 5.059 -1.137 0.835
17 S S S1 N N N 0 3.296 2.335 -0.187
18 O2 O O1 N N N 0 2.378 2.732 0.822
19 O3 O O2 N N N 0 4.597 2.901 -0.259
20 C23 C C16 N N N 0 2.5 2.361 -1.817
21 C4 C C17 N Y N 0 2.564 -0.299 -0.063
22 N N N1 N Y N 0 1.254 -0.19 -0.481
23 C8 C C18 R N N 0 0.593 1.063 -0.856
24 C14 C C19 N Y N 0 -3.171 1.325 -0.993
25 C16 C C20 N N N 0 -4.975 0.852 0.676
26 F2 F F2 N N N 0 -5.184 -0.241 1.525
27 F1 F F3 N N N 0 -5.319 2.033 1.343
28 F F F4 N N N 0 -5.768 0.713 -0.467
29 C17 C C21 S N N 0 -0.76 -1.739 -0.886
30 C19 C C22 N N N 0 -3.124 -1.205 -0.36
31 O1 O O3 N N N 0 -3.348 -2.311 -0.79
32 O O O4 N N N 0 -4.138 -0.422 0.04
33 C6 C C23 N Y N 0 1.557 -2.353 -0.104
34 C C C24 N Y N 0 4.065 -2.072 0.642
35 H1 H H1 N N N 0 5.604 0.931 0.733
36 H2 H H2 N N N 0 1.486 1.951 0.891
37 H3 H H3 N N N 0 2.201 2.481 -0.65
38 H4 H H4 N N N 0 0.609 3.098 -0.149
39 H5 H H5 N N N 0 -0.446 0.296 1.516
40 H6 H H6 N N N 0 -2.818 0.208 2.17
41 H7 H H7 N N N 0 -1.564 1.7 -2.352
42 H8 H H8 N N N 0 -1.44 -0.543 0.772
43 H9 H H9 N N N 0 -1.617 0.236 -0.819
44 H10 H H10 N N N 0 -2.067 -3.451 -0.775
45 H11 H H11 N N N 0 -1.184 -3.103 0.73
46 H12 H H12 N N N 0 -0.352 -5.142 -0.549
47 H13 H H13 N N N 0 0.175 -4.031 -1.836
48 H14 H H14 N N N 0 1.134 -4.092 1.052
49 H15 H H15 N N N 0 2.089 -4.402 -0.422
50 H16 H H16 N N N 0 1.529 1.869 -1.755
51 H17 H H17 N N N 0 2.364 3.393 -2.139
52 H18 H H18 N N N 0 3.128 1.835 -2.536
53 H19 H H19 N N N 0 0.669 1.204 -1.934
54 H20 H H20 N N N 0 -3.936 1.614 -1.698
55 H21 H H21 N N N 0 -0.852 -1.725 -1.972
56 H22 H H22 N N N 0 -5.022 -0.812 0.035
57 H23 H H23 N N N 0 4.257 -3.116 0.84