Q6H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C1 | sing | 1.35Å | 1.36Å | |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| C | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.44Å | |
| C5 | C4 | sing | 1.40Å | 1.50Å | Aromatic |
| N | C6 | sing | 1.35Å | 1.34Å | |
| N | C7 | sing | 1.40Å | 1.37Å | |
| C6 | O | doub | 1.22Å | 1.23Å | |
| C4 | SE | sing | 1.96Å | 1.65Å | |
| C7 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.44Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | N1 | sing | 1.47Å | 1.48Å | |
| C8 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C13 | sing | 1.48Å | 1.51Å | |
| C15 | O1 | sing | 1.43Å | 1.42Å | |
| N1 | C13 | sing | 1.35Å | 1.34Å | |
| N1 | C17 | sing | 1.47Å | 1.47Å | |
| C13 | O2 | doub | 1.22Å | 1.23Å | |
| O1 | C16 | sing | 1.43Å | 1.44Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| SE | H9 | sing | 1.56Å | 1.46Å | |
| C | H10 | sing | 1.08Å | 1.08Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C1 | C2 | 119.0° | 120.0° |
| F | C1 | C | 122.7° | 119.9° |
| C2 | C1 | C | 118.1° | 120.1° |
| C1 | C2 | C3 | 120.5° | 120.3° |
| C1 | C2 | H1 | 119.8° | 119.8° |
| C1 | C | C5 | 121.2° | 119.8° |
| C1 | C | H10 | 119.4° | 120.1° |
| C2 | C3 | C4 | 127.3° | 120.2° |
| C3 | C2 | H1 | 119.7° | 119.9° |
| C2 | C3 | H2 | 116.3° | 119.9° |
| C | C5 | C6 | 115.4° | 120.1° |
| C | C5 | C4 | 124.9° | 119.7° |
| C5 | C | H10 | 119.4° | 120.1° |
| C3 | C4 | C5 | 107.7° | 119.9° |
| C3 | C4 | SE | 122.8° | 120.0° |
| C4 | C3 | H2 | 116.3° | 119.9° |
| C6 | C5 | C4 | 119.6° | 120.1° |
| C5 | C6 | N | 115.0° | 120.0° |
| C5 | C6 | O | 116.0° | 120.0° |
| C5 | C4 | SE | 129.4° | 120.1° |
| C6 | N | C7 | 122.6° | 120.0° |
| N | C6 | O | 129.0° | 120.0° |
| C6 | N | H11 | 118.7° | 120.0° |
| N | C7 | C9 | 119.1° | 120.0° |
| N | C7 | C10 | 121.4° | 120.0° |
| C7 | N | H11 | 118.7° | 120.0° |
| C4 | SE | H9 | 109.5° | 101.0° |
| C9 | C7 | C10 | 119.4° | 120.0° |
| C7 | C9 | C8 | 119.0° | 120.2° |
| C7 | C9 | H13 | 120.5° | 119.9° |
| C7 | C10 | C11 | 121.8° | 119.8° |
| C7 | C10 | H3 | 119.1° | 120.1° |
| C9 | C8 | C12 | 119.8° | 120.3° |
| C9 | C8 | H12 | 120.1° | 119.9° |
| C8 | C9 | H13 | 120.5° | 119.9° |
| C10 | C11 | C12 | 119.3° | 119.8° |
| C10 | C11 | C13 | 115.2° | 120.1° |
| C11 | C10 | H3 | 119.1° | 120.1° |
| C15 | C14 | N1 | 105.9° | 108.4° |
| C14 | C15 | O1 | 108.0° | 109.2° |
| C15 | C14 | H5 | 110.4° | 109.7° |
| C15 | C14 | H6 | 110.4° | 109.7° |
| C14 | C15 | H7 | 109.8° | 109.5° |
| C14 | C15 | H8 | 109.8° | 109.5° |
| C14 | N1 | C13 | 125.4° | 121.0° |
| C14 | N1 | C17 | 113.4° | 118.0° |
| N1 | C14 | H5 | 110.4° | 109.6° |
| N1 | C14 | H6 | 110.4° | 109.7° |
| C8 | C12 | C11 | 120.7° | 120.0° |
| C8 | C12 | H4 | 119.7° | 120.1° |
| C12 | C8 | H12 | 120.1° | 119.9° |
| C12 | C11 | C13 | 125.5° | 120.1° |
| C11 | C12 | H4 | 119.7° | 119.9° |
| C11 | C13 | N1 | 119.7° | 120.0° |
| C11 | C13 | O2 | 120.1° | 120.0° |
| C15 | O1 | C16 | 113.7° | 114.1° |
| O1 | C15 | H7 | 109.8° | 109.5° |
| O1 | C15 | H8 | 109.8° | 109.5° |
| C13 | N1 | C17 | 121.2° | 121.0° |
| N1 | C13 | O2 | 120.2° | 120.0° |
| N1 | C17 | C16 | 107.2° | 108.4° |
| N1 | C17 | H14 | 110.1° | 109.7° |
| N1 | C17 | H15 | 110.0° | 109.7° |
| O1 | C16 | C17 | 109.2° | 109.3° |
| O1 | C16 | H16 | 109.6° | 109.5° |
| O1 | C16 | H17 | 109.5° | 109.6° |
| C16 | C17 | H14 | 110.0° | 109.7° |
| C16 | C17 | H15 | 110.0° | 109.7° |
| C17 | C16 | H16 | 109.5° | 109.6° |
| C17 | C16 | H17 | 109.6° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.8° |
| H7 | C15 | H8 | 109.5° | 109.6° |
| H14 | C17 | H15 | 109.4° | 109.6° |
| H16 | C16 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C1 | C2 | C | 175.1° | 179.7° |
| F | C1 | C2 | C3 | 179.8° | 179.7° |
| F | C1 | C | C5 | 179.0° | 179.7° |
| F | C1 | C2 | H1 | 0.2° | 0.3° |
| F | C1 | C | H10 | 1.1° | 0.3° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C2 | C1 | C | C5 | 4.0° | 0.0° |
| C1 | C2 | C3 | C4 | 5.1° | 0.0° |
| C1 | C2 | C3 | H2 | 174.9° | 180.0° |
| C2 | C1 | C | H10 | 176.0° | 180.0° |
| C | C1 | C2 | C3 | 4.6° | 0.0° |
| C1 | C | C5 | H10 | 180.0° | 180.0° |
| C1 | C | C5 | C6 | 179.6° | 180.0° |
| C1 | C | C5 | C4 | 3.5° | 0.0° |
| C | C1 | C2 | H1 | 175.4° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 3.9° | 0.0° |
| C2 | C3 | C4 | SE | 179.6° | 179.9° |
| C | C5 | C4 | C3 | 3.1° | 0.0° |
| C | C5 | C6 | C4 | 176.4° | 179.9° |
| C | C5 | C6 | N | 47.7° | 0.0° |
| C | C5 | C6 | O | 131.7° | 180.0° |
| C | C5 | C4 | SE | 179.3° | 180.0° |
| C3 | C4 | C5 | C6 | 179.1° | 180.0° |
| C3 | C4 | C5 | SE | 176.2° | 179.9° |
| C4 | C3 | C2 | H1 | 174.9° | 180.0° |
| C3 | C4 | SE | H9 | 180.0° | 90.0° |
| C5 | C6 | N | O | 179.3° | 180.0° |
| C5 | C6 | N | C7 | 172.0° | 175.3° |
| C6 | C5 | C4 | SE | 4.7° | 0.1° |
| C6 | C5 | C | H10 | 0.4° | 0.0° |
| C5 | C6 | N | H11 | 8.0° | 4.7° |
| C4 | C5 | C6 | N | 135.9° | 180.0° |
| C4 | C5 | C6 | O | 44.6° | 0.0° |
| C5 | C4 | C3 | H2 | 176.1° | 180.0° |
| C5 | C4 | SE | H9 | 4.3° | 90.0° |
| C4 | C5 | C | H10 | 176.5° | 180.0° |
| C6 | N | C7 | H11 | 180.0° | 180.0° |
| C6 | N | C7 | C9 | 148.5° | 35.8° |
| C6 | N | C7 | C10 | 26.6° | 144.2° |
| C7 | N | C6 | O | 8.6° | 4.7° |
| N | C7 | C9 | C10 | 175.3° | 179.9° |
| N | C7 | C9 | C8 | 175.9° | 179.4° |
| N | C7 | C10 | C11 | 175.3° | 180.0° |
| N | C7 | C10 | H3 | 4.7° | 0.3° |
| N | C7 | C9 | H13 | 4.1° | 0.1° |
| O | C6 | N | H11 | 171.3° | 175.3° |
| SE | C4 | C3 | H2 | 0.4° | 0.1° |
| C7 | C9 | C8 | H13 | 180.0° | 179.5° |
| C9 | C7 | C10 | C11 | 0.2° | 0.1° |
| C7 | C9 | C8 | C12 | 2.0° | 0.8° |
| C9 | C7 | C10 | H3 | 179.9° | 179.8° |
| C9 | C7 | N | H11 | 31.5° | 144.2° |
| C7 | C9 | C8 | H12 | 178.0° | 179.8° |
| C10 | C7 | C9 | C8 | 0.6° | 0.5° |
| C7 | C10 | C11 | H3 | 180.0° | 179.7° |
| C7 | C10 | C11 | C12 | 1.1° | 0.3° |
| C7 | C10 | C11 | C13 | 179.9° | 179.8° |
| C10 | C7 | N | H11 | 153.3° | 35.7° |
| C10 | C7 | C9 | H13 | 179.4° | 180.0° |
| C9 | C8 | C12 | H12 | 180.0° | 179.5° |
| C9 | C8 | C12 | C11 | 2.9° | 0.5° |
| C9 | C8 | C12 | H4 | 177.1° | 179.5° |
| C10 | C11 | C12 | C8 | 2.5° | 0.0° |
| C10 | C11 | C12 | C13 | 178.8° | 179.9° |
| C10 | C11 | C13 | N1 | 122.3° | 39.9° |
| C10 | C11 | C13 | O2 | 54.7° | 140.1° |
| C10 | C11 | C12 | H4 | 177.5° | 180.0° |
| C15 | C14 | N1 | H5 | 119.4° | 119.7° |
| C15 | C14 | N1 | H6 | 119.4° | 119.7° |
| C14 | C15 | O1 | H7 | 119.8° | 120.0° |
| C14 | C15 | O1 | H8 | 119.8° | 119.9° |
| C15 | C14 | N1 | C13 | 113.4° | 129.4° |
| C15 | C14 | N1 | C17 | 62.4° | 50.5° |
| C14 | C15 | O1 | C16 | 63.5° | 62.6° |
| C15 | C14 | H5 | H6 | 121.7° | 120.6° |
| C14 | C15 | H7 | H8 | 120.7° | 120.1° |
| C14 | N1 | C13 | C11 | 2.9° | 4.0° |
| N1 | C14 | C15 | O1 | 61.1° | 52.3° |
| C14 | N1 | C13 | C17 | 175.5° | 179.9° |
| C14 | N1 | C13 | O2 | 174.1° | 175.9° |
| C14 | N1 | C17 | C16 | 58.6° | 50.5° |
| N1 | C14 | H5 | H6 | 121.7° | 120.5° |
| N1 | C14 | C15 | H7 | 58.7° | 67.6° |
| N1 | C14 | C15 | H8 | 179.1° | 172.2° |
| C14 | N1 | C17 | H14 | 61.1° | 69.2° |
| C14 | N1 | C17 | H15 | 178.2° | 170.2° |
| C8 | C12 | C11 | H4 | 180.0° | 180.0° |
| C8 | C12 | C11 | C13 | 178.8° | 179.9° |
| C12 | C8 | C9 | H13 | 178.0° | 179.7° |
| C12 | C11 | C13 | N1 | 58.9° | 140.1° |
| C12 | C11 | C13 | O2 | 124.1° | 40.0° |
| C12 | C11 | C10 | H3 | 179.0° | 180.0° |
| C11 | C12 | C8 | H12 | 177.1° | 180.0° |
| C11 | C13 | N1 | O2 | 177.0° | 180.0° |
| C11 | C13 | N1 | C17 | 172.6° | 175.9° |
| C13 | C11 | C10 | H3 | 0.1° | 0.1° |
| C13 | C11 | C12 | H4 | 1.2° | 0.0° |
| C15 | O1 | C16 | C17 | 59.4° | 62.5° |
| O1 | C15 | C14 | H5 | 58.4° | 67.4° |
| O1 | C15 | C14 | H6 | 179.5° | 172.0° |
| O1 | C15 | H7 | H8 | 120.7° | 120.1° |
| C15 | O1 | C16 | H16 | 60.6° | 177.5° |
| C15 | O1 | C16 | H17 | 179.3° | 57.4° |
| C13 | N1 | C17 | C16 | 117.4° | 129.5° |
| C13 | N1 | C14 | H5 | 127.2° | 110.8° |
| C13 | N1 | C14 | H6 | 6.1° | 9.7° |
| C13 | N1 | C17 | H14 | 122.9° | 110.8° |
| C13 | N1 | C17 | H15 | 2.2° | 9.7° |
| C17 | N1 | C13 | O2 | 10.4° | 4.1° |
| N1 | C17 | C16 | O1 | 53.5° | 52.3° |
| N1 | C17 | C16 | H14 | 119.7° | 119.8° |
| N1 | C17 | C16 | H15 | 119.7° | 119.8° |
| C17 | N1 | C14 | H5 | 57.0° | 69.2° |
| C17 | N1 | C14 | H6 | 178.1° | 170.2° |
| N1 | C17 | H14 | H15 | 121.1° | 120.6° |
| N1 | C17 | C16 | H16 | 66.5° | 172.2° |
| N1 | C17 | C16 | H17 | 173.4° | 67.7° |
| O1 | C16 | C17 | H16 | 120.0° | 120.0° |
| O1 | C16 | C17 | H17 | 119.9° | 120.0° |
| C16 | O1 | C15 | H7 | 56.3° | 57.4° |
| C16 | O1 | C15 | H8 | 176.7° | 177.6° |
| O1 | C16 | C17 | H14 | 66.2° | 67.5° |
| O1 | C16 | C17 | H15 | 173.1° | 172.1° |
| O1 | C16 | H16 | H17 | 120.1° | 120.1° |
| C16 | C17 | H14 | H15 | 121.0° | 120.5° |
| C17 | C16 | H16 | H17 | 120.2° | 120.1° |
| H1 | C2 | C3 | H2 | 5.1° | 0.0° |
| H4 | C12 | C8 | H12 | 2.9° | 0.0° |
| H5 | C14 | C15 | H7 | 178.1° | 172.7° |
| H5 | C14 | C15 | H8 | 61.4° | 52.5° |
| H6 | C14 | C15 | H7 | 60.7° | 52.0° |
| H6 | C14 | C15 | H8 | 59.7° | 68.1° |
| H12 | C8 | C9 | H13 | 2.0° | 0.3° |
| H14 | C17 | C16 | H16 | 173.8° | 52.5° |
| H14 | C17 | C16 | H17 | 53.7° | 172.5° |
| H15 | C17 | C16 | H16 | 53.2° | 68.0° |
| H15 | C17 | C16 | H17 | 66.9° | 52.1° |
