Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CAU

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 44


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O17 O O17 N N N 0 2.343 -0.977 -1.149
2 C16 C C16 S N N 0 2.417 -0.244 0.075
3 C18 C C18 N N N 0 3.808 0.379 0.213
4 N19 N N19 N N N 0 4.822 -0.683 0.216
5 C20 C C20 N N N 0 6.173 -0.121 0.348
6 C21 C C21 N N N 0 7.105 -1.169 0.959
7 C22 C C22 N N N 0 6.694 0.282 -1.033
8 C15 C C15 N N N 0 1.36 0.863 0.071
9 O14 O O14 N N N 0 0.057 0.277 0.06
10 C13 C C13 N Y N 0 -1.002 1.128 0.055
11 C12 C C12 N Y N 0 -0.794 2.496 0.062
12 C9 C C9 N Y N 0 -2.306 0.626 0.038
13 C11 C C11 N Y N 0 -1.873 3.364 0.057
14 C10 C C10 N Y N 0 -3.164 2.88 0.047
15 C8 C C8 N Y N 0 -3.396 1.507 0.04
16 N7 N N7 N Y N 0 -4.561 0.761 0.03
17 C3 C C3 N Y N 0 -4.264 -0.591 0.027
18 C4 C C4 N Y N 0 -2.868 -0.737 0.031
19 C2 C C2 N Y N 0 -5.068 -1.726 0.017
20 C1 C C1 N Y N 0 -4.492 -2.979 0.016
21 C6 C C6 N Y N 0 -3.113 -3.122 0.025
22 C5 C C5 N Y N 0 -2.3 -2.009 0.026
23 H17 H H17 N N N 0 2.495 -0.44 -1.939
24 H16 H H16 N N N 0 2.236 -0.917 0.913
25 H181 H H181 N N N 0 3.989 1.052 -0.625
26 H182 H H182 N N N 0 3.864 0.939 1.147
27 H191 H H191 N N N 0 4.638 -1.356 0.945
28 H20 H H20 N N N 0 6.14 0.757 0.994
29 H211 H H211 N N N 0 7.138 -2.047 0.312
30 H212 H H212 N N N 0 8.107 -0.752 1.056
31 H213 H H213 N N N 0 6.734 -1.456 1.942
32 H221 H H221 N N N 0 6.727 -0.595 -1.679
33 H222 H H222 N N N 0 6.03 1.029 -1.469
34 H223 H H223 N N N 0 7.696 0.699 -0.936
35 H151 H H151 N N N 0 1.475 1.477 0.964
36 H152 H H152 N N N 0 1.488 1.484 -0.816
37 H12 H H12 N N N 0 0.212 2.888 0.071
38 H11 H H11 N N N 0 -1.702 4.431 0.062
39 H7 H H7 N N N 0 -5.457 1.132 0.025
40 H10 H H10 N N N 0 -3.997 3.567 0.043
41 H2 H H2 N N N 0 -6.143 -1.626 0.01
42 H5 H H5 N N N 0 -1.226 -2.122 0.027
43 H1 H H1 N N N 0 -5.122 -3.857 0.01
44 H6 H H6 N N N 0 -2.675 -4.108 0.025