Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : RJU

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 C1 C C1 N N N 0 -0.001 -0.01 -3.027
2 C2 C C2 N N N 0 -1.096 0.92 -2.52
3 C6 C C6 N N N 0 -1.349 -0.478 2.52
4 C3 C C3 N N N 0 1.351 0.476 -2.52
5 C4 C C4 N N N 0 -0.257 -1.421 -2.514
6 C5 C C5 N N N 0 0.002 0.01 3.027
7 C7 C C7 N N N 0 0.259 1.421 2.513
8 C8 C C8 N N N 0 1.098 -0.92 2.521
9 N1 N N1 N N N 0 -0.002 -0.014 -4.496
10 N2 N N2 N N N 0 0.003 0.015 4.496
11 O1 O O1 N N N 2 0.261 1.428 1.077
12 O10 O O2 N N N 0 3.077 1.105 1.145
13 O11 O O3 N N N -1 -2.183 3.619 -1.194
14 O12 O O4 N N N -1 -3.93 1.56 -1.184
15 O13 O O5 N N N -1 2.047 3.705 1.17
16 O17 O O9 N N N -1 -3.319 -2.618 1.192
17 O14 O O6 N N N -1 -0.611 4.188 1.171
18 O15 O O7 N N N 2 1.106 -0.934 1.084
19 O16 O O8 N N N 2 -0.259 -1.429 -1.077
20 O18 O O10 N N N 0 -0.587 -3.211 1.161
21 O19 O O11 N N N -1 4.228 0.073 -1.188
22 O2 O O12 N N N 2 -1.363 -0.486 1.084
23 O20 O O13 N N N 0 2.49 -2.119 -1.144
24 O21 O O14 N N N -1 0.611 -4.189 -1.17
25 O22 O O15 N N N -1 -2.049 -3.704 -1.174
26 O23 O O16 N N N -1 3.931 -1.558 1.188
27 O24 O O17 N N N -1 2.18 -3.62 1.197
28 O3 O O18 N N N 2 -1.105 0.933 -1.084
29 O4 O O19 N N N 2 1.364 0.484 -1.084
30 O5 O O20 N N N -1 -4.227 -0.074 1.188
31 O6 O O21 N N N 0 -2.489 2.117 1.148
32 O7 O O22 N N N -1 3.317 2.619 -1.196
33 O8 O O23 N N N 0 0.584 3.21 -1.162
34 O9 O O24 N N N 0 -3.077 -1.102 -1.147
35 MN1 MN MN1 N N N 0 0.001 0.0 0.0
36 MO1 MO MO1 N N N 0 -2.724 0.496 0.001
37 MO2 MO MO2 N N N 0 1.792 2.112 -0.009
38 MO3 MO MO3 N N N 0 -0.933 2.608 -0.008
39 MO4 MO MO4 N N N 0 -1.793 -2.112 0.006
40 MO5 MO MO5 N N N 0 2.725 -0.496 0.0
41 MO6 MO MO6 N N N 0 0.932 -2.608 0.009
42 H1 H H1 N N N 0 -0.915 1.93 -2.89
43 H2 H H2 N N N 0 -2.064 0.572 -2.884
44 H3 H H3 N N N 0 2.135 -0.19 -2.885
45 H4 H H4 N N N 0 1.536 1.485 -2.89
46 H5 H H5 N N N 0 -1.223 -1.771 -2.88
47 H6 H H6 N N N 0 0.528 -2.086 -2.878
48 H7 H H7 N N N 0 -1.53 -1.489 2.889
49 H8 H H8 N N N 0 -2.134 0.184 2.886
50 H9 H H9 N N N 0 -0.524 2.087 2.878
51 H10 H H10 N N N 0 1.226 1.769 2.878
52 H11 H H11 N N N 0 2.066 -0.572 2.885
53 H12 H H12 N N N 0 0.917 -1.93 2.892
54 H13 H H13 N N N 0 0.716 -0.624 -4.857
55 H14 H H14 N N N 0 -0.909 -0.271 -4.856
56 H16 H H16 N N N 0 0.889 0.335 4.856
57 H17 H H17 N N N 0 -0.757 0.573 4.856