VHL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
RE | N1 | sing | 0.00Å | 2.18Å | |
RE | N3 | sing | 0.00Å | 2.16Å | |
C1 | O1 | trip | 0.00Å | 1.17Å | |
C2 | O2 | trip | 0.00Å | 1.14Å | |
C3 | O3 | trip | 0.00Å | 1.13Å | |
N1 | C4 | sing | 0.00Å | 1.32Å | Aromatic |
N1 | C6 | sing | 0.00Å | 1.39Å | Aromatic |
C4 | N2 | doub | 0.00Å | 1.33Å | Aromatic |
N2 | C5 | sing | 0.00Å | 1.37Å | Aromatic |
C5 | C6 | doub | 0.00Å | 1.32Å | Aromatic |
N3 | C7 | sing | 0.00Å | 1.31Å | Aromatic |
N3 | C9 | sing | 0.00Å | 1.38Å | Aromatic |
C7 | N4 | doub | 0.00Å | 1.33Å | Aromatic |
N4 | C8 | sing | 0.00Å | 1.32Å | Aromatic |
C8 | C9 | doub | 0.00Å | 1.35Å | Aromatic |
C6 | H61 | sing | 0.00Å | 1.08Å | |
C5 | H51 | sing | 0.00Å | 1.08Å | |
C4 | H41 | sing | 0.00Å | 1.08Å | |
C7 | H71 | sing | 0.00Å | 1.08Å | |
C9 | H91 | sing | 0.00Å | 1.08Å | |
C8 | H81 | sing | 0.00Å | 1.08Å | |
RE | C1 | sing | 0.00Å | 1.88Å | |
RE | C2 | sing | 0.00Å | 1.91Å | |
RE | C3 | sing | 0.00Å | 1.90Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | RE | N3 | 82.8° | 90.0° |
RE | N1 | C4 | 125.3° | 90.0° |
RE | N1 | C6 | 129.8° | 90.0° |
N1 | RE | C1 | 91.6° | 90.0° |
N1 | RE | C2 | 176.7° | 90.0° |
N1 | RE | C3 | 94.0° | 90.0° |
RE | N3 | C7 | 128.2° | 90.0° |
RE | N3 | C9 | 126.6° | 90.0° |
N3 | RE | C1 | 94.3° | 90.0° |
N3 | RE | C2 | 93.9° | 90.0° |
N3 | RE | C3 | 174.7° | 90.0° |
O1 | C1 | RE | 179.7° | 90.0° |
O2 | C2 | RE | 179.5° | 90.0° |
O3 | C3 | RE | 179.1° | 90.0° |
C4 | N1 | C6 | 104.9° | 90.0° |
N1 | C4 | N2 | 111.5° | 90.0° |
N1 | C4 | H41 | 124.3° | 90.0° |
N1 | C6 | C5 | 109.2° | 90.0° |
N1 | C6 | H61 | 125.4° | 90.0° |
C4 | N2 | C5 | 107.1° | 90.0° |
N2 | C4 | H41 | 124.3° | 90.0° |
N2 | C5 | C6 | 107.3° | 90.0° |
N2 | C5 | H51 | 126.3° | 90.0° |
C5 | C6 | H61 | 125.4° | 90.0° |
C6 | C5 | H51 | 126.4° | 90.0° |
C7 | N3 | C9 | 105.2° | 90.0° |
N3 | C7 | N4 | 110.8° | 90.0° |
N3 | C7 | H71 | 124.6° | 90.0° |
N3 | C9 | C8 | 108.5° | 90.0° |
N3 | C9 | H91 | 125.7° | 90.0° |
C7 | N4 | C8 | 108.5° | 90.0° |
N4 | C7 | H71 | 124.6° | 90.0° |
N4 | C8 | C9 | 107.0° | 90.0° |
N4 | C8 | H81 | 126.5° | 90.0° |
C8 | C9 | H91 | 125.7° | 90.0° |
C9 | C8 | H81 | 126.5° | 90.0° |
C1 | RE | C2 | 88.0° | 90.0° |
C1 | RE | C3 | 89.9° | 90.0° |
C2 | RE | C3 | 89.4° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | RE | N3 | C1 | 91.1° | 90.0° |
N1 | RE | N3 | C2 | 179.4° | 90.0° |
N1 | RE | N3 | C3 | 52.4° | 90.0° |
N1 | RE | C1 | O1 | 76.5° | 90.0° |
N1 | RE | C2 | O2 | 40.4° | 90.0° |
N1 | RE | C3 | O3 | 177.2° | 90.0° |
RE | N1 | C4 | C6 | 179.4° | 90.0° |
RE | N1 | C4 | N2 | 180.0° | 90.0° |
RE | N1 | C6 | C5 | 179.7° | 90.0° |
N1 | RE | N3 | C7 | 80.6° | 90.0° |
N1 | RE | N3 | C9 | 99.3° | 90.0° |
RE | N1 | C6 | H61 | 0.3° | 90.0° |
RE | N1 | C4 | H41 | 0.0° | 90.0° |
N1 | RE | C1 | C2 | 176.7° | 90.0° |
N1 | RE | C1 | C3 | 94.0° | 90.0° |
N1 | RE | C2 | C3 | 174.3° | 90.0° |
N3 | RE | C1 | O1 | 6.4° | 90.0° |
N3 | RE | C2 | O2 | 50.3° | 90.0° |
N3 | RE | C3 | O3 | 130.8° | 90.0° |
N3 | RE | N1 | C4 | 61.1° | 90.0° |
N3 | RE | N1 | C6 | 118.2° | 90.0° |
RE | N3 | C7 | C9 | 179.9° | 90.0° |
RE | N3 | C7 | N4 | 180.0° | 90.0° |
RE | N3 | C9 | C8 | 179.9° | 90.0° |
RE | N3 | C7 | H71 | 0.0° | 90.0° |
RE | N3 | C9 | H91 | 0.1° | 90.0° |
N3 | RE | C1 | C2 | 93.8° | 90.0° |
N3 | RE | C1 | C3 | 176.9° | 90.0° |
N3 | RE | C2 | C3 | 175.9° | 90.0° |
O1 | C1 | RE | C2 | 100.1° | 90.0° |
O1 | C1 | RE | C3 | 170.5° | 90.0° |
O2 | C2 | RE | C1 | 44.0° | 90.0° |
O2 | C2 | RE | C3 | 133.9° | 90.0° |
O3 | C3 | RE | C1 | 85.6° | 90.0° |
O3 | C3 | RE | C2 | 2.4° | 90.0° |
N1 | C4 | N2 | H41 | 180.0° | 90.0° |
N1 | C4 | N2 | C5 | 0.6° | 90.0° |
C4 | N1 | C6 | C5 | 0.3° | 90.0° |
C4 | N1 | C6 | H61 | 179.7° | 90.0° |
C4 | N1 | RE | C1 | 155.3° | 90.0° |
C4 | N1 | RE | C2 | 71.0° | 90.0° |
C4 | N1 | RE | C3 | 114.7° | 90.0° |
C6 | N1 | C4 | N2 | 0.6° | 90.0° |
N1 | C6 | C5 | N2 | 0.0° | 90.0° |
N1 | C6 | C5 | H61 | 180.0° | 90.0° |
N1 | C6 | C5 | H51 | 180.0° | 90.0° |
C6 | N1 | C4 | H41 | 179.5° | 90.0° |
C6 | N1 | RE | C1 | 24.0° | 90.0° |
C6 | N1 | RE | C2 | 108.2° | 90.0° |
C6 | N1 | RE | C3 | 66.0° | 90.0° |
C4 | N2 | C5 | C6 | 0.3° | 90.0° |
C4 | N2 | C5 | H51 | 179.7° | 90.0° |
N2 | C5 | C6 | H51 | 180.0° | 90.0° |
N2 | C5 | C6 | H61 | 180.0° | 90.0° |
C5 | N2 | C4 | H41 | 179.4° | 90.0° |
N3 | C7 | N4 | H71 | 180.0° | 90.0° |
N3 | C7 | N4 | C8 | 0.1° | 90.0° |
C7 | N3 | C9 | C8 | 0.1° | 90.0° |
C7 | N3 | C9 | H91 | 179.8° | 90.0° |
C7 | N3 | RE | C1 | 171.7° | 90.0° |
C7 | N3 | RE | C2 | 100.0° | 90.0° |
C7 | N3 | RE | C3 | 28.2° | 90.0° |
C9 | N3 | C7 | N4 | 0.0° | 90.0° |
N3 | C9 | C8 | N4 | 0.2° | 90.0° |
N3 | C9 | C8 | H91 | 180.0° | 90.0° |
C9 | N3 | C7 | H71 | 180.0° | 90.0° |
N3 | C9 | C8 | H81 | 179.8° | 90.0° |
C9 | N3 | RE | C1 | 8.2° | 90.0° |
C9 | N3 | RE | C2 | 80.1° | 90.0° |
C9 | N3 | RE | C3 | 151.7° | 90.0° |
C7 | N4 | C8 | C9 | 0.1° | 90.0° |
C7 | N4 | C8 | H81 | 179.9° | 90.0° |
N4 | C8 | C9 | H81 | 180.0° | 90.0° |
C8 | N4 | C7 | H71 | 179.9° | 90.0° |
N4 | C8 | C9 | H91 | 179.8° | 90.0° |
H61 | C6 | C5 | H51 | 0.0° | 90.0° |
H91 | C9 | C8 | H81 | 0.2° | 90.0° |
C1 | RE | C2 | C3 | 89.9° | 90.0° |