Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XB1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 56


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N N N 0 1.103 0.481 0.085
2 C15 C C2 N N N 0 7.207 0.857 0.185
3 C17 C C3 N N N 0 8.527 -0.841 -0.928
4 C20 C C4 N N N 0 10.816 -0.133 0.62
5 C21 C C5 N N N 0 9.611 0.802 0.479
6 C26 C C6 N N N 0 -8.134 -0.63 -0.032
7 C28 C C7 N N N 0 -8.097 -3.052 0.137
8 C02 C C8 N N N 0 -6.062 -1.719 0.089
9 C03 C C9 N Y N 0 -5.401 -0.417 0.011
10 C04 C C10 N Y N 0 -6.192 0.719 -0.085
11 C06 C C11 N Y N 0 -4.063 1.293 -0.08
12 C08 C C12 N N N 0 -1.348 0.96 0.0
13 C09 C C13 N N N 0 0.049 1.585 -0.015
14 C12 C C14 N N N 0 3.532 0.293 0.148
15 C14 C C15 N N N 0 5.948 -0.012 0.22
16 C18 C C16 N N N 0 9.741 -1.759 -0.773
17 C25 C C17 N N N 0 -8.405 1.777 -0.205
18 N05 N N1 N Y N 0 -5.34 1.782 -0.141
19 N11 N N2 N N N 0 2.44 1.08 0.07
20 N13 N N3 N N N 0 4.762 0.844 0.135
21 N16 N N4 N N N 0 8.396 0.0 0.271
22 N23 N N5 N Y N 0 -4.103 -0.013 0.01
23 N24 N N6 N N N 0 -7.562 0.584 -0.104
24 N27 N N7 N N N 0 -7.412 -1.759 0.062
25 O01 O O1 N N N 0 -5.41 -2.744 0.174
26 O19 O O2 N N N 0 10.907 -0.964 -0.541
27 O29 O O3 N N N 0 -9.348 -0.709 -0.047
28 S07 S S1 N N N 0 -2.595 2.267 -0.118
29 S22 S S2 N N N 0 3.355 -1.406 0.264
30 H1 H H1 N N N 0 0.963 -0.073 1.013
31 H2 H H2 N N N 0 1.0 -0.197 -0.762
32 H3 H H3 N N N 0 7.232 1.423 -0.746
33 H4 H H4 N N N 0 7.195 1.548 1.029
34 H5 H H5 N N N 0 8.66 -0.207 -1.805
35 H6 H H6 N N N 0 7.627 -1.444 -1.049
36 H7 H H7 N N N 0 11.727 0.458 0.717
37 H8 H H8 N N N 0 10.691 -0.757 1.505
38 H9 H H9 N N N 0 9.503 1.398 1.385
39 H10 H H10 N N N 0 9.761 1.463 -0.375
40 H11 H H11 N N N 0 -8.245 -3.443 -0.869
41 H12 H H12 N N N 0 -7.492 -3.751 0.714
42 H13 H H13 N N N 0 -9.065 -2.922 0.623
43 H14 H H14 N N N 0 -1.451 0.282 -0.847
44 H15 H H15 N N N 0 -1.488 0.407 0.928
45 H16 H H16 N N N 0 0.152 2.264 0.832
46 H17 H H17 N N N 0 0.189 2.139 -0.943
47 H19 H H19 N N N 0 5.959 -0.702 -0.623
48 H20 H H20 N N N 0 5.923 -0.577 1.152
49 H21 H H21 N N N 0 9.585 -2.43 0.072
50 H22 H H22 N N N 0 9.874 -2.345 -1.683
51 H23 H H23 N N N 0 -8.593 2.002 -1.255
52 H24 H H24 N N N 0 -9.353 1.597 0.303
53 H25 H H25 N N N 0 -7.898 2.622 0.262
54 H26 H H26 N N N 0 -5.593 2.716 -0.212
55 H27 H H27 N N N 0 2.54 2.042 0.005
56 H29 H H29 N N N 0 4.861 1.806 0.07