Q0O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.48Å | 1.46Å | |
| C1 | C3 | sing | 1.48Å | 1.45Å | |
| C1 | C4 | doub | 1.34Å | 1.38Å | |
| C2 | C5 | doub | 1.40Å | 1.46Å | Aromatic |
| C2 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.41Å | |
| C3 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C9 | sing | 1.51Å | 1.54Å | |
| C5 | C10 | sing | 1.39Å | 1.34Å | Aromatic |
| C6 | C11 | doub | 1.38Å | 1.43Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C8 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C9 | C14 | sing | 1.53Å | 1.42Å | |
| C9 | O15 | sing | 1.44Å | 1.42Å | |
| C10 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C17 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C18 | sing | 1.51Å | 1.49Å | |
| O15 | C19 | sing | 1.35Å | 1.36Å | |
| C18 | C20 | doub | 1.35Å | 1.41Å | |
| C19 | C20 | sing | 1.41Å | 1.43Å | |
| C18 | O21 | sing | 1.35Å | 1.30Å | |
| C19 | O22 | doub | 1.22Å | 1.21Å | |
| C10 | H27 | sing | 1.08Å | 1.08Å | |
| C11 | H28 | sing | 1.08Å | 1.08Å | |
| C13 | H30 | sing | 1.08Å | 1.08Å | |
| C16 | H33 | sing | 1.08Å | 1.08Å | |
| C17 | H34 | sing | 1.08Å | 1.08Å | |
| C20 | H35 | sing | 1.08Å | 1.08Å | |
| C4 | H23 | sing | 1.08Å | 1.08Å | |
| C6 | H24 | sing | 1.08Å | 1.08Å | |
| C8 | H25 | sing | 1.08Å | 1.08Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.08Å | 1.08Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| O21 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 109.3° | 106.9° |
| C2 | C1 | C4 | 131.9° | 126.5° |
| C1 | C2 | C5 | 103.8° | 107.8° |
| C1 | C2 | C6 | 135.9° | 132.3° |
| C3 | C1 | C4 | 118.7° | 126.5° |
| C1 | C3 | C7 | 108.0° | 107.8° |
| C1 | C3 | C8 | 131.3° | 132.3° |
| C1 | C4 | C9 | 123.0° | 120.0° |
| C1 | C4 | H23 | 118.5° | 120.0° |
| C5 | C2 | C6 | 120.1° | 119.8° |
| C2 | C5 | C7 | 111.1° | 108.7° |
| C2 | C5 | C10 | 121.1° | 119.5° |
| C2 | C6 | C11 | 118.2° | 119.9° |
| C2 | C6 | H24 | 120.9° | 120.0° |
| C3 | C7 | C5 | 107.9° | 108.7° |
| C7 | C3 | C8 | 120.7° | 119.9° |
| C3 | C7 | C12 | 121.4° | 119.5° |
| C7 | C5 | C10 | 127.7° | 131.8° |
| C5 | C7 | C12 | 130.7° | 131.8° |
| C3 | C8 | C13 | 121.1° | 119.9° |
| C3 | C8 | H25 | 119.4° | 120.1° |
| C4 | C9 | C14 | 110.7° | 109.6° |
| C4 | C9 | O15 | 110.7° | 109.5° |
| C9 | C4 | H23 | 118.5° | 120.0° |
| C4 | C9 | H26 | 106.4° | 109.6° |
| C5 | C10 | C16 | 119.7° | 119.9° |
| C5 | C10 | H27 | 120.2° | 120.0° |
| C6 | C11 | C16 | 119.3° | 120.3° |
| C6 | C11 | H28 | 120.3° | 119.9° |
| C11 | C6 | H24 | 120.9° | 120.0° |
| C7 | C12 | C17 | 115.1° | 120.0° |
| C7 | C12 | H29 | 122.4° | 120.0° |
| C8 | C13 | C17 | 115.9° | 120.3° |
| C8 | C13 | H30 | 122.1° | 119.8° |
| C13 | C8 | H25 | 119.5° | 120.0° |
| C14 | C9 | O15 | 113.2° | 108.3° |
| C9 | C14 | C18 | 113.9° | 109.0° |
| C14 | C9 | H26 | 107.8° | 109.6° |
| C9 | C14 | H31 | 108.3° | 109.6° |
| C9 | C14 | H32 | 108.4° | 109.6° |
| C9 | O15 | C19 | 114.0° | 116.1° |
| O15 | C9 | H26 | 107.7° | 110.1° |
| C10 | C16 | C11 | 121.5° | 120.5° |
| C16 | C10 | H27 | 120.1° | 120.0° |
| C10 | C16 | H33 | 119.3° | 119.8° |
| C16 | C11 | H28 | 120.3° | 119.8° |
| C11 | C16 | H33 | 119.3° | 119.8° |
| C12 | C17 | C13 | 125.8° | 120.5° |
| C12 | C17 | H34 | 117.1° | 119.7° |
| C17 | C12 | H29 | 122.4° | 120.0° |
| C17 | C13 | H30 | 122.0° | 119.8° |
| C13 | C17 | H34 | 117.1° | 119.8° |
| C14 | C18 | C20 | 114.9° | 119.9° |
| C14 | C18 | O21 | 119.6° | 120.0° |
| C18 | C14 | H31 | 108.3° | 109.5° |
| C18 | C14 | H32 | 108.3° | 109.6° |
| O15 | C19 | C20 | 120.2° | 120.1° |
| O15 | C19 | O22 | 117.2° | 120.0° |
| C18 | C20 | C19 | 119.9° | 120.4° |
| C20 | C18 | O21 | 122.3° | 120.0° |
| C18 | C20 | H35 | 120.0° | 119.7° |
| C20 | C19 | O22 | 122.5° | 120.0° |
| C19 | C20 | H35 | 120.1° | 119.9° |
| C18 | O21 | H36 | 109.5° | 117.0° |
| H31 | C14 | H32 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C4 | 176.0° | 179.9° |
| C1 | C2 | C5 | C6 | 175.2° | 179.5° |
| C2 | C1 | C3 | C7 | 0.4° | 0.1° |
| C1 | C2 | C5 | C7 | 1.3° | 0.0° |
| C2 | C1 | C3 | C8 | 179.1° | 180.0° |
| C2 | C1 | C4 | C9 | 9.8° | 166.7° |
| C1 | C2 | C5 | C10 | 174.3° | 179.9° |
| C1 | C2 | C6 | C11 | 175.2° | 179.8° |
| C2 | C1 | C4 | H23 | 170.2° | 13.2° |
| C1 | C2 | C6 | H24 | 4.8° | 0.1° |
| C3 | C1 | C2 | C5 | 1.0° | 0.1° |
| C3 | C1 | C2 | C6 | 175.0° | 179.3° |
| C1 | C3 | C7 | C8 | 179.6° | 180.0° |
| C1 | C3 | C7 | C5 | 0.4° | 0.0° |
| C3 | C1 | C4 | C9 | 165.2° | 13.2° |
| C1 | C3 | C7 | C12 | 177.5° | 180.0° |
| C1 | C3 | C8 | C13 | 178.3° | 180.0° |
| C3 | C1 | C4 | H23 | 14.8° | 166.8° |
| C1 | C3 | C8 | H25 | 1.8° | 0.0° |
| C4 | C1 | C2 | C5 | 174.3° | 180.0° |
| C4 | C1 | C2 | C6 | 0.3° | 0.6° |
| C4 | C1 | C3 | C7 | 175.6° | 180.0° |
| C4 | C1 | C3 | C8 | 4.9° | 0.0° |
| C1 | C4 | C9 | H23 | 180.0° | 180.0° |
| C1 | C4 | C9 | C14 | 69.4° | 112.1° |
| C1 | C4 | C9 | O15 | 164.2° | 129.2° |
| C1 | C4 | C9 | H26 | 47.4° | 8.3° |
| C2 | C5 | C7 | C3 | 1.1° | 0.0° |
| C2 | C5 | C7 | C10 | 175.2° | 180.0° |
| C5 | C2 | C6 | C11 | 1.9° | 0.8° |
| C2 | C5 | C7 | C12 | 177.8° | 180.0° |
| C2 | C5 | C10 | C16 | 4.0° | 0.0° |
| C2 | C5 | C10 | H27 | 176.0° | 179.8° |
| C5 | C2 | C6 | H24 | 178.1° | 179.2° |
| C6 | C2 | C5 | C7 | 176.5° | 179.5° |
| C6 | C2 | C5 | C10 | 0.9° | 0.6° |
| C2 | C6 | C11 | H24 | 180.0° | 179.9° |
| C2 | C6 | C11 | C16 | 1.6° | 0.5° |
| C2 | C6 | C11 | H28 | 178.4° | 179.5° |
| C3 | C7 | C5 | C12 | 176.8° | 180.0° |
| C3 | C7 | C5 | C10 | 174.1° | 180.0° |
| C7 | C3 | C8 | C13 | 2.3° | 0.0° |
| C3 | C7 | C12 | C17 | 2.3° | 0.0° |
| C7 | C3 | C8 | H25 | 177.7° | 179.9° |
| C3 | C7 | C12 | H29 | 177.7° | 180.0° |
| C5 | C7 | C3 | C8 | 180.0° | 180.0° |
| C7 | C5 | C10 | C16 | 178.7° | 180.0° |
| C5 | C7 | C12 | C17 | 178.6° | 180.0° |
| C7 | C5 | C10 | H27 | 1.3° | 0.2° |
| C5 | C7 | C12 | H29 | 1.3° | 0.0° |
| C8 | C3 | C7 | C12 | 2.9° | 0.0° |
| C3 | C8 | C13 | H25 | 180.0° | 179.9° |
| C3 | C8 | C13 | C17 | 1.1° | 0.1° |
| C3 | C8 | C13 | H30 | 178.9° | 180.0° |
| C4 | C9 | C14 | O15 | 125.0° | 119.4° |
| C4 | C9 | C14 | H26 | 115.9° | 120.4° |
| C4 | C9 | O15 | H26 | 115.9° | 120.6° |
| C4 | C9 | C14 | C18 | 176.9° | 172.6° |
| C4 | C9 | O15 | C19 | 177.6° | 175.5° |
| C4 | C9 | C14 | H31 | 56.3° | 67.6° |
| C4 | C9 | C14 | H32 | 62.4° | 52.7° |
| C10 | C5 | C7 | C12 | 2.6° | 0.0° |
| C5 | C10 | C16 | H27 | 180.0° | 179.8° |
| C5 | C10 | C16 | C11 | 4.3° | 0.3° |
| C5 | C10 | C16 | H33 | 175.7° | 179.7° |
| C6 | C11 | C16 | C10 | 1.4° | 0.0° |
| C6 | C11 | C16 | H28 | 180.0° | 180.0° |
| C6 | C11 | C16 | H33 | 178.6° | 180.0° |
| C7 | C12 | C17 | H29 | 180.0° | 180.0° |
| C7 | C12 | C17 | C13 | 1.2° | 0.1° |
| C7 | C12 | C17 | H34 | 178.9° | 180.0° |
| C8 | C13 | C17 | C12 | 0.6° | 0.1° |
| C8 | C13 | C17 | H30 | 180.0° | 179.9° |
| C8 | C13 | C17 | H34 | 179.4° | 180.0° |
| C14 | C9 | O15 | H26 | 119.1° | 119.9° |
| C9 | C14 | C18 | H31 | 120.6° | 119.8° |
| C9 | C14 | C18 | H32 | 120.7° | 119.9° |
| C14 | C9 | O15 | C19 | 52.6° | 56.0° |
| C9 | C14 | C18 | C20 | 18.6° | 27.6° |
| C9 | C14 | C18 | O21 | 141.7° | 152.1° |
| C14 | C9 | C4 | H23 | 110.6° | 67.9° |
| C9 | C14 | H31 | H32 | 118.0° | 120.3° |
| O15 | C9 | C14 | C18 | 51.9° | 53.1° |
| C9 | O15 | C19 | C20 | 19.5° | 28.9° |
| C9 | O15 | C19 | O22 | 157.5° | 151.1° |
| O15 | C9 | C4 | H23 | 15.8° | 50.7° |
| O15 | C9 | C14 | H31 | 68.7° | 172.9° |
| O15 | C9 | C14 | H32 | 172.6° | 66.8° |
| C10 | C16 | C11 | H33 | 180.0° | 180.0° |
| C10 | C16 | C11 | H28 | 178.6° | 180.0° |
| C11 | C16 | C10 | H27 | 175.7° | 179.9° |
| C16 | C11 | C6 | H24 | 178.4° | 179.5° |
| C12 | C17 | C13 | H34 | 180.0° | 179.9° |
| C12 | C17 | C13 | H30 | 179.4° | 180.0° |
| C17 | C13 | C8 | H25 | 178.9° | 179.9° |
| C13 | C17 | C12 | H29 | 178.8° | 180.0° |
| C14 | C18 | C20 | O21 | 159.7° | 179.8° |
| C14 | C18 | C20 | C19 | 13.6° | 0.1° |
| C14 | C18 | C20 | H35 | 166.4° | 180.0° |
| C18 | C14 | C9 | H26 | 67.1° | 67.1° |
| C18 | C14 | H31 | H32 | 118.0° | 120.3° |
| C14 | C18 | O21 | H36 | 180.0° | 179.8° |
| O15 | C19 | C20 | C18 | 13.7° | 1.2° |
| O15 | C19 | C20 | O22 | 176.8° | 180.0° |
| O15 | C19 | C20 | H35 | 166.3° | 178.8° |
| C19 | O15 | C9 | H26 | 66.4° | 63.9° |
| C18 | C20 | C19 | H35 | 180.0° | 180.0° |
| C18 | C20 | C19 | O22 | 169.4° | 178.9° |
| C20 | C18 | C14 | H31 | 102.1° | 147.5° |
| C20 | C18 | C14 | H32 | 139.2° | 92.3° |
| C20 | C18 | O21 | H36 | 21.2° | 0.0° |
| C19 | C20 | C18 | O21 | 173.3° | 179.7° |
| O21 | C18 | C20 | H35 | 6.8° | 0.3° |
| O21 | C18 | C14 | H31 | 97.7° | 32.3° |
| O21 | C18 | C14 | H32 | 21.0° | 88.0° |
| O22 | C19 | C20 | H35 | 10.5° | 1.2° |
| H27 | C10 | C16 | H33 | 4.3° | 0.0° |
| H28 | C11 | C16 | H33 | 1.4° | 0.0° |
| H28 | C11 | C6 | H24 | 1.6° | 0.5° |
| H30 | C13 | C17 | H34 | 0.6° | 0.1° |
| H30 | C13 | C8 | H25 | 1.1° | 0.0° |
| H34 | C17 | C12 | H29 | 1.2° | 0.0° |
| H23 | C4 | C9 | H26 | 132.6° | 171.7° |
| H26 | C9 | C14 | H31 | 172.2° | 52.8° |
| H26 | C9 | C14 | H32 | 53.5° | 173.0° |
