1OH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C4 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C5 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | O2 | sing | 1.36Å | 1.37Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 119.8° | 120.0° |
| C8 | C9 | C10 | 120.3° | 120.0° |
| C9 | C8 | H8 | 120.1° | 120.0° |
| C8 | C9 | H9 | 119.9° | 120.0° |
| C8 | C7 | C6 | 119.9° | 120.0° |
| C8 | C7 | H7 | 120.1° | 120.0° |
| C7 | C8 | H8 | 120.1° | 120.0° |
| C9 | C10 | C1 | 120.4° | 120.0° |
| C10 | C9 | H9 | 119.9° | 120.0° |
| C9 | C10 | H10 | 119.8° | 120.0° |
| C7 | C6 | C1 | 120.6° | 120.0° |
| C7 | C6 | H6 | 119.7° | 120.0° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C10 | C1 | C6 | 119.0° | 120.0° |
| C10 | C1 | C2 | 119.8° | 120.0° |
| C1 | C10 | H10 | 119.8° | 120.0° |
| C6 | C1 | C2 | 121.1° | 120.0° |
| C1 | C6 | H6 | 119.7° | 120.0° |
| C1 | C2 | C4 | 107.9° | 109.5° |
| C1 | C2 | C3 | 109.8° | 109.5° |
| C1 | C2 | C5 | 111.4° | 109.5° |
| C12 | C11 | C4 | 120.5° | 120.0° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C12 | C11 | H11 | 119.7° | 120.0° |
| C11 | C4 | C2 | 119.7° | 119.9° |
| C11 | C4 | C15 | 119.0° | 120.1° |
| C4 | C11 | H11 | 119.7° | 120.0° |
| C4 | C2 | C3 | 112.0° | 109.5° |
| C4 | C2 | C5 | 109.2° | 109.5° |
| C2 | C4 | C15 | 121.3° | 119.9° |
| C3 | C2 | C5 | 106.6° | 109.4° |
| C2 | C3 | H31 | 109.5° | 109.4° |
| C2 | C3 | H32 | 109.4° | 109.5° |
| C2 | C3 | H33 | 109.5° | 109.5° |
| C2 | C5 | H51 | 109.5° | 109.5° |
| C2 | C5 | H52 | 109.5° | 109.5° |
| C2 | C5 | H53 | 109.5° | 109.5° |
| C12 | C13 | O2 | 119.4° | 120.1° |
| C12 | C13 | C14 | 120.1° | 119.9° |
| C13 | C12 | H12 | 119.9° | 120.0° |
| C4 | C15 | C14 | 120.6° | 120.1° |
| C4 | C15 | H15 | 119.7° | 120.0° |
| O2 | C13 | C14 | 120.6° | 120.0° |
| C13 | O2 | H2 | 109.5° | 113.9° |
| C13 | C14 | C15 | 119.7° | 119.9° |
| C13 | C14 | H14 | 120.2° | 120.1° |
| C15 | C14 | H14 | 120.2° | 120.0° |
| C14 | C15 | H15 | 119.7° | 119.9° |
| H51 | C5 | H52 | 109.4° | 109.5° |
| H51 | C5 | H53 | 109.4° | 109.4° |
| H52 | C5 | H53 | 109.5° | 109.4° |
| H31 | C3 | H32 | 109.5° | 109.4° |
| H31 | C3 | H33 | 109.5° | 109.4° |
| H32 | C3 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H8 | 180.0° | 179.7° |
| C8 | C9 | C10 | H9 | 180.0° | 179.8° |
| C9 | C8 | C7 | C6 | 0.2° | 0.0° |
| C8 | C9 | C10 | C1 | 0.9° | 0.5° |
| C9 | C8 | C7 | H7 | 179.9° | 180.0° |
| C8 | C9 | C10 | H10 | 179.1° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.2° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | C1 | 0.1° | 0.0° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C7 | C8 | C9 | H9 | 179.8° | 180.0° |
| C9 | C10 | C1 | H10 | 180.0° | 179.5° |
| C9 | C10 | C1 | C6 | 1.2° | 0.5° |
| C9 | C10 | C1 | C2 | 179.7° | 179.7° |
| C10 | C9 | C8 | H8 | 179.8° | 180.0° |
| C7 | C6 | C1 | C10 | 0.8° | 0.3° |
| C7 | C6 | C1 | H6 | 180.0° | 180.0° |
| C7 | C6 | C1 | C2 | 179.2° | 180.0° |
| C6 | C7 | C8 | H8 | 179.8° | 179.7° |
| C10 | C1 | C6 | C2 | 178.5° | 179.8° |
| C10 | C1 | C2 | C4 | 86.4° | 54.6° |
| C10 | C1 | C2 | C3 | 35.9° | 65.5° |
| C10 | C1 | C2 | C5 | 153.8° | 174.6° |
| C10 | C1 | C6 | H6 | 179.3° | 179.7° |
| C1 | C10 | C9 | H9 | 179.1° | 179.7° |
| C6 | C1 | C2 | C4 | 92.0° | 125.7° |
| C6 | C1 | C2 | C3 | 145.6° | 114.3° |
| C6 | C1 | C2 | C5 | 27.8° | 5.7° |
| C1 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C1 | C10 | H10 | 178.8° | 180.0° |
| C1 | C2 | C4 | C11 | 52.5° | 121.8° |
| C1 | C2 | C4 | C3 | 121.0° | 120.1° |
| C1 | C2 | C4 | C5 | 121.2° | 120.0° |
| C1 | C2 | C3 | C5 | 120.8° | 120.0° |
| C1 | C2 | C4 | C15 | 127.9° | 58.5° |
| C1 | C2 | C5 | H51 | 24.0° | 180.0° |
| C1 | C2 | C5 | H52 | 96.0° | 60.0° |
| C1 | C2 | C5 | H53 | 144.0° | 60.0° |
| C1 | C2 | C3 | H31 | 167.3° | 60.0° |
| C1 | C2 | C3 | H32 | 47.3° | 59.9° |
| C1 | C2 | C3 | H33 | 72.7° | 180.0° |
| C2 | C1 | C6 | H6 | 0.8° | 0.0° |
| C2 | C1 | C10 | H10 | 0.3° | 0.2° |
| C12 | C11 | C4 | H11 | 180.0° | 179.9° |
| C12 | C11 | C4 | C2 | 179.9° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C12 | C11 | C4 | C15 | 0.3° | 0.2° |
| C11 | C12 | C13 | O2 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.3° |
| C11 | C4 | C2 | C15 | 179.6° | 179.8° |
| C11 | C4 | C2 | C3 | 173.5° | 1.7° |
| C11 | C4 | C2 | C5 | 68.8° | 118.3° |
| C4 | C11 | C12 | C13 | 0.4° | 0.1° |
| C11 | C4 | C15 | C14 | 0.2° | 0.3° |
| C11 | C4 | C15 | H15 | 179.8° | 179.8° |
| C4 | C11 | C12 | H12 | 179.6° | 180.0° |
| C4 | C2 | C3 | C5 | 119.3° | 120.0° |
| C2 | C4 | C15 | C14 | 179.4° | 180.0° |
| C2 | C4 | C15 | H15 | 0.6° | 0.1° |
| C2 | C4 | C11 | H11 | 0.2° | 0.1° |
| C4 | C2 | C5 | H51 | 95.1° | 60.0° |
| C4 | C2 | C5 | H52 | 144.9° | 180.0° |
| C4 | C2 | C5 | H53 | 24.9° | 60.0° |
| C4 | C2 | C3 | H31 | 72.8° | 60.0° |
| C4 | C2 | C3 | H32 | 167.2° | 180.0° |
| C4 | C2 | C3 | H33 | 47.2° | 59.9° |
| C3 | C2 | C4 | C15 | 6.9° | 178.5° |
| C3 | C2 | C5 | H51 | 143.8° | 60.0° |
| C3 | C2 | C5 | H52 | 23.8° | 60.1° |
| C3 | C2 | C5 | H53 | 96.2° | 180.0° |
| C2 | C3 | H31 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H33 | 120.0° | 120.0° |
| C2 | C3 | H32 | H33 | 120.0° | 120.1° |
| C5 | C2 | C4 | C15 | 110.8° | 61.5° |
| C2 | C5 | H51 | H52 | 120.0° | 120.0° |
| C2 | C5 | H51 | H53 | 120.0° | 120.0° |
| C2 | C5 | H52 | H53 | 120.0° | 120.0° |
| C5 | C2 | C3 | H31 | 46.5° | 180.0° |
| C5 | C2 | C3 | H32 | 73.5° | 60.1° |
| C5 | C2 | C3 | H33 | 166.5° | 60.0° |
| C12 | C13 | O2 | C14 | 179.9° | 179.7° |
| C12 | C13 | C14 | C15 | 0.4° | 0.3° |
| C12 | C13 | O2 | H2 | 56.7° | 90.3° |
| C12 | C13 | C14 | H14 | 179.6° | 179.8° |
| C13 | C12 | C11 | H11 | 179.6° | 180.0° |
| C4 | C15 | C14 | C13 | 0.5° | 0.0° |
| C4 | C15 | C14 | H15 | 180.0° | 179.9° |
| C4 | C15 | C14 | H14 | 179.5° | 179.9° |
| C15 | C4 | C11 | H11 | 179.8° | 179.7° |
| O2 | C13 | C14 | C15 | 179.6° | 180.0° |
| O2 | C13 | C14 | H14 | 0.4° | 0.1° |
| O2 | C13 | C12 | H12 | 0.0° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C14 | C13 | O2 | H2 | 123.2° | 90.1° |
| C13 | C14 | C15 | H15 | 179.4° | 179.9° |
| C14 | C13 | C12 | H12 | 179.9° | 179.7° |
| H14 | C14 | C15 | H15 | 0.5° | 0.0° |
| H12 | C12 | C11 | H11 | 0.4° | 0.1° |
| H51 | C5 | H52 | H53 | 119.9° | 120.0° |
| H31 | C3 | H32 | H33 | 120.0° | 120.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.3° |
| H8 | C8 | C9 | H9 | 0.2° | 0.3° |
| H9 | C9 | C10 | H10 | 0.9° | 0.2° |
