EUG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
C1 | C7 | sing | 1.48Å | 1.46Å | |
C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
C3 | O3 | sing | 1.36Å | 1.37Å | |
C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
C4 | O4 | sing | 1.36Å | 1.37Å | |
C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
C7 | C8 | doub | 1.33Å | 1.31Å | |
C9 | O3 | sing | 1.43Å | 1.38Å | |
C8 | C10 | sing | 1.51Å | 1.54Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C8 | H81 | sing | 1.08Å | 1.08Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
C9 | H93 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H11 | sing | 1.09Å | 1.10Å | |
C10 | H12 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 118.1° | 119.9° |
C2 | C1 | C7 | 120.4° | 120.0° |
C1 | C2 | C3 | 120.5° | 119.9° |
C1 | C2 | H2 | 119.8° | 120.1° |
C6 | C1 | C7 | 121.5° | 120.1° |
C1 | C6 | C5 | 122.0° | 120.0° |
C1 | C6 | H6 | 119.0° | 120.0° |
C1 | C7 | C8 | 119.9° | 120.0° |
C1 | C7 | H7 | 120.0° | 120.1° |
C2 | C3 | C4 | 120.0° | 120.0° |
C2 | C3 | O3 | 121.5° | 120.0° |
C3 | C2 | H2 | 119.8° | 120.1° |
C4 | C3 | O3 | 118.4° | 120.0° |
C3 | C4 | C5 | 120.3° | 120.1° |
C3 | C4 | O4 | 119.6° | 119.9° |
C3 | O3 | C9 | 128.8° | 117.0° |
C5 | C4 | O4 | 120.0° | 120.0° |
C4 | C5 | C6 | 119.1° | 120.1° |
C4 | C5 | H5 | 120.4° | 119.9° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C6 | C5 | H5 | 120.5° | 119.9° |
C5 | C6 | H6 | 119.0° | 120.0° |
C7 | C8 | C10 | 119.1° | 120.0° |
C8 | C7 | H7 | 120.0° | 120.0° |
C7 | C8 | H81 | 120.4° | 120.0° |
O3 | C9 | H91 | 109.5° | 109.5° |
O3 | C9 | H92 | 109.5° | 109.4° |
O3 | C9 | H93 | 109.4° | 109.5° |
C10 | C8 | H81 | 120.5° | 120.0° |
C8 | C10 | H10 | 109.5° | 109.5° |
C8 | C10 | H11 | 109.5° | 109.5° |
C8 | C10 | H12 | 109.5° | 109.5° |
H91 | C9 | H92 | 109.5° | 109.5° |
H91 | C9 | H93 | 109.5° | 109.5° |
H92 | C9 | H93 | 109.5° | 109.5° |
H10 | C10 | H11 | 109.4° | 109.4° |
H10 | C10 | H12 | 109.5° | 109.5° |
H11 | C10 | H12 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C6 | C7 | 178.5° | 179.7° |
C1 | C2 | C3 | H2 | 180.0° | 179.9° |
C1 | C2 | C3 | C4 | 2.1° | 0.0° |
C1 | C2 | C3 | O3 | 179.8° | 180.0° |
C2 | C1 | C6 | C5 | 0.2° | 0.1° |
C2 | C1 | C7 | C8 | 163.4° | 180.0° |
C2 | C1 | C6 | H6 | 179.8° | 180.0° |
C2 | C1 | C7 | H7 | 16.7° | 0.0° |
C6 | C1 | C2 | C3 | 1.2° | 0.0° |
C1 | C6 | C5 | C4 | 0.2° | 0.1° |
C1 | C6 | C5 | H6 | 180.0° | 179.9° |
C6 | C1 | C7 | C8 | 15.1° | 0.3° |
C6 | C1 | C2 | H2 | 178.8° | 180.0° |
C1 | C6 | C5 | H5 | 179.8° | 180.0° |
C6 | C1 | C7 | H7 | 164.9° | 179.7° |
C7 | C1 | C2 | C3 | 177.3° | 179.7° |
C7 | C1 | C6 | C5 | 178.3° | 179.8° |
C1 | C7 | C8 | H7 | 180.0° | 179.9° |
C1 | C7 | C8 | C10 | 176.8° | 180.0° |
C7 | C1 | C2 | H2 | 2.7° | 0.3° |
C7 | C1 | C6 | H6 | 1.7° | 0.3° |
C1 | C7 | C8 | H81 | 3.2° | 0.1° |
C2 | C3 | C4 | O3 | 177.7° | 180.0° |
C2 | C3 | C4 | C5 | 2.1° | 0.1° |
C2 | C3 | C4 | O4 | 178.6° | 180.0° |
C2 | C3 | O3 | C9 | 101.6° | 0.0° |
C3 | C4 | C5 | O4 | 179.3° | 179.9° |
C3 | C4 | C5 | C6 | 1.2° | 0.1° |
C4 | C3 | O3 | C9 | 80.7° | 180.0° |
C4 | C3 | C2 | H2 | 177.9° | 180.0° |
C3 | C4 | C5 | H5 | 178.8° | 180.0° |
C3 | C4 | O4 | HO4 | 180.0° | 90.0° |
O3 | C3 | C4 | C5 | 179.8° | 179.9° |
O3 | C3 | C4 | O4 | 0.9° | 0.0° |
O3 | C3 | C2 | H2 | 0.2° | 0.0° |
C3 | O3 | C9 | H91 | 180.0° | 180.0° |
C3 | O3 | C9 | H92 | 60.0° | 60.0° |
C3 | O3 | C9 | H93 | 60.0° | 60.0° |
C4 | C5 | C6 | H5 | 180.0° | 179.9° |
C4 | C5 | C6 | H6 | 179.8° | 179.9° |
C5 | C4 | O4 | HO4 | 0.7° | 90.1° |
O4 | C4 | C5 | C6 | 179.5° | 180.0° |
O4 | C4 | C5 | H5 | 0.5° | 0.1° |
C7 | C8 | C10 | H81 | 180.0° | 179.9° |
C7 | C8 | C10 | H10 | 180.0° | 60.0° |
C7 | C8 | C10 | H11 | 60.0° | 60.0° |
C7 | C8 | C10 | H12 | 60.0° | 180.0° |
O3 | C9 | H91 | H92 | 120.0° | 120.0° |
O3 | C9 | H91 | H93 | 120.0° | 120.0° |
O3 | C9 | H92 | H93 | 120.0° | 120.0° |
C10 | C8 | C7 | H7 | 3.2° | 0.1° |
C8 | C10 | H10 | H11 | 120.0° | 120.1° |
C8 | C10 | H10 | H12 | 120.0° | 120.0° |
C8 | C10 | H11 | H12 | 120.0° | 120.1° |
H5 | C5 | C6 | H6 | 0.2° | 0.0° |
H7 | C7 | C8 | H81 | 176.9° | NaN° |
H81 | C8 | C10 | H10 | 0.0° | 120.1° |
H81 | C8 | C10 | H11 | 120.0° | 120.0° |
H81 | C8 | C10 | H12 | 120.0° | 0.1° |
H91 | C9 | H92 | H93 | 120.0° | 120.0° |
H10 | C10 | H11 | H12 | 120.0° | 119.9° |