V7U
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N33 | C35 | sing | 1.40Å | 1.34Å | |
O44 | N42 | doub | 1.22Å | 1.22Å | |
N42 | O43 | sing | 1.22Å | 1.22Å | |
N42 | C40 | sing | 1.48Å | 1.45Å | |
C35 | C40 | doub | 1.39Å | 1.44Å | Aromatic |
C35 | C36 | sing | 1.39Å | 1.41Å | Aromatic |
C40 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
C36 | C37 | doub | 1.38Å | 1.36Å | Aromatic |
C39 | C38 | doub | 1.38Å | 1.37Å | Aromatic |
C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
C38 | N41 | sing | 1.48Å | 1.46Å | |
N41 | O45 | sing | 1.22Å | 1.22Å | |
N41 | O46 | doub | 1.22Å | 1.22Å | |
C36 | H1 | sing | 1.08Å | 1.08Å | |
C37 | H2 | sing | 1.08Å | 1.08Å | |
C39 | H3 | sing | 1.08Å | 1.08Å | |
N33 | H4 | sing | 0.97Å | 1.00Å | |
N33 | H5 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N33 | C35 | C40 | 124.4° | 120.1° |
N33 | C35 | C36 | 118.7° | 120.1° |
C35 | N33 | H4 | 109.5° | 120.1° |
C35 | N33 | H5 | 109.4° | 120.0° |
O44 | N42 | O43 | 123.0° | 120.0° |
O44 | N42 | C40 | 118.7° | 120.0° |
O43 | N42 | C40 | 118.3° | 120.0° |
N42 | C40 | C35 | 122.9° | 120.0° |
N42 | C40 | C39 | 115.9° | 120.0° |
C40 | C35 | C36 | 116.9° | 119.8° |
C35 | C40 | C39 | 121.2° | 119.9° |
C35 | C36 | C37 | 121.3° | 120.0° |
C35 | C36 | H1 | 119.4° | 120.0° |
C40 | C39 | C38 | 118.6° | 120.1° |
C40 | C39 | H3 | 120.7° | 120.0° |
C36 | C37 | C38 | 119.8° | 120.1° |
C37 | C36 | H1 | 119.3° | 120.0° |
C36 | C37 | H2 | 120.1° | 120.0° |
C39 | C38 | C37 | 122.2° | 120.1° |
C39 | C38 | N41 | 119.3° | 120.0° |
C38 | C39 | H3 | 120.7° | 119.9° |
C37 | C38 | N41 | 118.6° | 119.9° |
C38 | C37 | H2 | 120.1° | 119.9° |
C38 | N41 | O45 | 118.5° | 120.0° |
C38 | N41 | O46 | 117.9° | 120.0° |
O45 | N41 | O46 | 123.6° | 120.0° |
H4 | N33 | H5 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N33 | C35 | C40 | N42 | 1.3° | 0.3° |
N33 | C35 | C40 | C36 | 177.6° | 179.7° |
N33 | C35 | C40 | C39 | 178.5° | 179.7° |
N33 | C35 | C36 | C37 | 179.5° | 179.7° |
N33 | C35 | C36 | H1 | 0.5° | 0.3° |
C35 | N33 | H4 | H5 | 120.0° | 179.9° |
O44 | N42 | O43 | C40 | 179.5° | 179.9° |
O44 | N42 | C40 | C35 | 3.2° | 37.3° |
O44 | N42 | C40 | C39 | 176.6° | 142.7° |
O43 | N42 | C40 | C35 | 177.3° | 142.7° |
O43 | N42 | C40 | C39 | 2.9° | 37.4° |
N42 | C40 | C35 | C39 | 179.8° | 179.9° |
N42 | C40 | C35 | C36 | 178.9° | 180.0° |
N42 | C40 | C39 | C38 | 179.9° | 180.0° |
N42 | C40 | C39 | H3 | 0.1° | 0.0° |
C40 | C35 | C36 | C37 | 1.7° | 0.0° |
C35 | C40 | C39 | C38 | 0.3° | 0.1° |
C40 | C35 | C36 | H1 | 178.3° | 180.0° |
C35 | C40 | C39 | H3 | 179.7° | 179.9° |
C40 | C35 | N33 | H4 | 180.0° | 7.6° |
C40 | C35 | N33 | H5 | 60.0° | 172.3° |
C36 | C35 | C40 | C39 | 0.9° | 0.1° |
C35 | C36 | C37 | H1 | 180.0° | 180.0° |
C35 | C36 | C37 | C38 | 1.4° | 0.1° |
C35 | C36 | C37 | H2 | 178.6° | 180.0° |
C36 | C35 | N33 | H4 | 2.5° | 172.1° |
C36 | C35 | N33 | H5 | 117.6° | 8.0° |
C40 | C39 | C38 | H3 | 180.0° | 180.0° |
C40 | C39 | C38 | C37 | 0.7° | 0.0° |
C40 | C39 | C38 | N41 | 179.9° | 180.0° |
C36 | C37 | C38 | C39 | 0.1° | 0.1° |
C36 | C37 | C38 | H2 | 180.0° | 179.9° |
C36 | C37 | C38 | N41 | 179.1° | 180.0° |
C39 | C38 | C37 | N41 | 179.2° | 180.0° |
C39 | C38 | N41 | O45 | 0.7° | 180.0° |
C39 | C38 | N41 | O46 | 178.0° | 0.0° |
C39 | C38 | C37 | H2 | 179.9° | 180.0° |
C37 | C38 | N41 | O45 | 179.9° | 0.0° |
C37 | C38 | N41 | O46 | 1.2° | 180.0° |
C38 | C37 | C36 | H1 | 178.6° | 180.0° |
C37 | C38 | C39 | H3 | 179.3° | 180.0° |
C38 | N41 | O45 | O46 | 178.6° | 180.0° |
N41 | C38 | C37 | H2 | 0.9° | 0.0° |
N41 | C38 | C39 | H3 | 0.1° | 0.0° |
H1 | C36 | C37 | H2 | 1.4° | 0.0° |