8YO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | O3 | doub | 1.21Å | 1.21Å | |
C10 | C9 | sing | 1.47Å | 1.53Å | |
O7 | C9 | sing | 1.35Å | 1.37Å | Aromatic |
O7 | C6 | sing | 1.35Å | 1.54Å | Aromatic |
O1 | C7 | sing | 1.43Å | 1.39Å | |
O1 | C1 | sing | 1.36Å | 1.40Å | |
C9 | C8 | doub | 1.36Å | 1.26Å | Aromatic |
C6 | C1 | doub | 1.39Å | 1.36Å | Aromatic |
C6 | C5 | sing | 1.41Å | 1.44Å | Aromatic |
C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
C8 | C5 | sing | 1.46Å | 1.31Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
C4 | C3 | sing | 1.37Å | 1.41Å | Aromatic |
C2 | H1 | sing | 1.08Å | 1.08Å | |
C3 | H2 | sing | 1.08Å | 1.08Å | |
C4 | H3 | sing | 1.08Å | 1.08Å | |
C7 | H4 | sing | 1.09Å | 1.10Å | |
C7 | H5 | sing | 1.09Å | 1.10Å | |
C7 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.08Å | 1.08Å | |
C10 | O2 | sing | 1.35Å | 1.43Å | |
O2 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | C10 | C9 | 124.9° | 120.1° |
O3 | C10 | O2 | 122.8° | 120.0° |
C10 | C9 | O7 | 116.3° | 125.2° |
C10 | C9 | C8 | 132.4° | 125.1° |
C9 | C10 | O2 | 112.3° | 119.9° |
C9 | O7 | C6 | 99.3° | 110.8° |
O7 | C9 | C8 | 111.3° | 109.7° |
O7 | C6 | C1 | 126.6° | 133.2° |
O7 | C6 | C5 | 109.1° | 107.7° |
C7 | O1 | C1 | 116.8° | 117.0° |
O1 | C7 | H4 | 109.5° | 109.5° |
O1 | C7 | H5 | 109.4° | 109.5° |
O1 | C7 | H6 | 109.5° | 109.4° |
O1 | C1 | C6 | 114.5° | 120.1° |
O1 | C1 | C2 | 127.1° | 120.1° |
C9 | C8 | C5 | 120.4° | 106.1° |
C9 | C8 | H7 | 119.8° | 127.0° |
C1 | C6 | C5 | 124.3° | 119.1° |
C6 | C1 | C2 | 118.4° | 119.8° |
C6 | C5 | C8 | 99.9° | 105.7° |
C6 | C5 | C4 | 117.0° | 120.1° |
C1 | C2 | C3 | 119.6° | 120.7° |
C1 | C2 | H1 | 120.2° | 119.7° |
C8 | C5 | C4 | 143.1° | 134.2° |
C5 | C8 | H7 | 119.8° | 126.9° |
C5 | C4 | C3 | 118.4° | 119.9° |
C5 | C4 | H3 | 120.8° | 120.1° |
C2 | C3 | C4 | 122.3° | 120.5° |
C3 | C2 | H1 | 120.2° | 119.7° |
C2 | C3 | H2 | 118.8° | 119.7° |
C4 | C3 | H2 | 118.8° | 119.8° |
C3 | C4 | H3 | 120.8° | 120.0° |
H4 | C7 | H5 | 109.5° | 109.5° |
H4 | C7 | H6 | 109.5° | 109.4° |
H5 | C7 | H6 | 109.5° | 109.5° |
C10 | O2 | H8 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | C10 | C9 | O2 | 179.5° | 179.9° |
O3 | C10 | C9 | O7 | 172.8° | 180.0° |
O3 | C10 | C9 | C8 | 10.3° | 0.1° |
O3 | C10 | O2 | H8 | 0.0° | 0.1° |
C10 | C9 | O7 | C8 | 177.6° | 180.0° |
C10 | C9 | O7 | C6 | 178.4° | 180.0° |
C10 | C9 | C8 | C5 | 178.4° | 180.0° |
C10 | C9 | C8 | H7 | 1.6° | 0.0° |
C9 | C10 | O2 | H8 | 179.5° | 180.0° |
C9 | O7 | C6 | C1 | 179.4° | 180.0° |
C9 | O7 | C6 | C5 | 0.2° | 0.0° |
O7 | C9 | C8 | C5 | 1.4° | 0.0° |
O7 | C9 | C8 | H7 | 178.6° | 180.0° |
O7 | C9 | C10 | O2 | 7.7° | 0.1° |
O7 | C6 | C1 | O1 | 0.2° | 0.2° |
C6 | O7 | C9 | C8 | 0.8° | 0.0° |
O7 | C6 | C1 | C5 | 179.5° | 180.0° |
O7 | C6 | C1 | C2 | 179.4° | 180.0° |
O7 | C6 | C5 | C8 | 0.5° | 0.0° |
O7 | C6 | C5 | C4 | 179.6° | 180.0° |
C7 | O1 | C1 | C6 | 158.3° | 179.8° |
C7 | O1 | C1 | C2 | 22.2° | 0.0° |
O1 | C7 | H4 | H5 | 120.0° | 120.1° |
O1 | C7 | H4 | H6 | 120.0° | 119.9° |
O1 | C7 | H5 | H6 | 120.0° | 120.0° |
O1 | C1 | C6 | C2 | 179.5° | 179.8° |
O1 | C1 | C6 | C5 | 179.7° | 179.8° |
O1 | C1 | C2 | C3 | 179.7° | 179.8° |
O1 | C1 | C2 | H1 | 0.3° | 0.3° |
C1 | O1 | C7 | H4 | 180.0° | 60.0° |
C1 | O1 | C7 | H5 | 60.0° | 60.0° |
C1 | O1 | C7 | H6 | 60.0° | 179.9° |
C9 | C8 | C5 | C6 | 1.1° | 0.0° |
C9 | C8 | C5 | H7 | 180.0° | 180.0° |
C9 | C8 | C5 | C4 | 179.0° | 180.0° |
C8 | C9 | C10 | O2 | 169.2° | 180.0° |
C1 | C6 | C5 | C8 | 179.9° | 180.0° |
C1 | C6 | C5 | C4 | 0.0° | 0.0° |
C6 | C1 | C2 | C3 | 0.2° | 0.0° |
C6 | C1 | C2 | H1 | 179.8° | 180.0° |
C5 | C6 | C1 | C2 | 0.1° | 0.0° |
C6 | C5 | C8 | C4 | 179.9° | 180.0° |
C6 | C5 | C4 | C3 | 0.1° | 0.0° |
C6 | C5 | C4 | H3 | 179.9° | 180.0° |
C6 | C5 | C8 | H7 | 178.9° | 180.0° |
C1 | C2 | C3 | H1 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 0.2° | 0.0° |
C1 | C2 | C3 | H2 | 179.8° | 180.0° |
C8 | C5 | C4 | C3 | 180.0° | 180.0° |
C8 | C5 | C4 | H3 | 0.0° | 0.1° |
C5 | C4 | C3 | C2 | 0.0° | 0.0° |
C5 | C4 | C3 | H3 | 180.0° | 180.0° |
C5 | C4 | C3 | H2 | 180.0° | 180.0° |
C4 | C5 | C8 | H7 | 1.0° | 0.1° |
C2 | C3 | C4 | H2 | 180.0° | 180.0° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C4 | C3 | C2 | H1 | 179.9° | 180.0° |
H1 | C2 | C3 | H2 | 0.1° | 0.0° |
H2 | C3 | C4 | H3 | 0.0° | 0.0° |
H4 | C7 | H5 | H6 | 120.0° | 119.9° |