Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CRR

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 C5 C C5 N Y N 0 2.108 -1.118 -0.094
2 C4 C C4 N Y N 0 1.965 -1.437 -1.443
3 C3 C C3 N Y N 0 2.591 -2.547 -1.951
4 C2 C C2 N Y N 0 3.365 -3.354 -1.128
5 C1 C C1 N Y N 0 3.517 -3.054 0.208
6 C20 C C20 N Y N 0 2.891 -1.933 0.742
7 N3 N N3 N Y N 0 2.853 -1.384 2.006
8 C19 C C19 N Y N 0 2.082 -0.26 2.009
9 C6 C C6 N Y N 0 1.588 -0.039 0.762
10 C7 C C7 N Y N 0 0.71 1.074 0.345
11 C8 C C8 N Y N 0 1.118 2.316 -0.126
12 C36 C C36 N N N 0 2.506 2.755 -0.297
13 O39 O O39 N N N 0 3.42 2.004 -0.017
14 O40 O O40 N N N 0 2.769 3.993 -0.766
15 N1 N N1 N Y N 0 -0.001 3.062 -0.403
16 C9 C C9 N Y N 0 -1.119 2.318 -0.118
17 C35 C C35 N N N 0 -2.507 2.758 -0.279
18 O37 O O37 N N N 0 -3.421 2.008 0.007
19 O38 O O38 N N N 0 -2.772 3.996 -0.746
20 C10 C C10 N Y N 0 -0.709 1.072 0.345
21 C11 C C11 N Y N 0 -1.586 -0.042 0.761
22 C12 C C12 N Y N 0 -2.107 -1.119 -0.097
23 C13 C C13 N Y N 0 -1.972 -1.43 -1.449
24 C14 C C14 N Y N 0 -2.603 -2.537 -1.959
25 C15 C C15 N Y N 0 -3.375 -3.346 -1.137
26 C16 C C16 N Y N 0 -3.519 -3.054 0.201
27 C17 C C17 N Y N 0 -2.887 -1.937 0.738
28 N2 N N2 N Y N 0 -2.841 -1.395 2.005
29 C18 C C18 N Y N 0 -2.064 -0.275 2.011
30 H4 H H4 N N N 0 1.363 -0.812 -2.086
31 H3 H H3 N N N 0 2.481 -2.795 -2.996
32 H2 H H2 N N N 0 3.853 -4.225 -1.54
33 H1 H H1 N N N 0 4.122 -3.688 0.839
34 HN3 H HN3 N N N 0 3.309 -1.746 2.782
35 H19 H H19 N N N 0 1.888 0.358 2.873
36 HO40 H HO40 N N N 0 3.712 4.191 -0.845
37 HN1 H HN1 N N N 0 -0.002 3.969 -0.747
38 HO38 H HO38 N N N 0 -3.716 4.196 -0.817
39 H13 H H13 N N N 0 -1.373 -0.803 -2.092
40 H14 H H14 N N N 0 -2.5 -2.779 -3.006
41 H15 H H15 N N N 0 -3.867 -4.214 -1.551
42 H16 H H16 N N N 0 -4.121 -3.69 0.833
43 HN2 H HN2 N N N 0 -3.293 -1.761 2.781
44 H18 H H18 N N N 0 -1.86 0.335 2.878