QH6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.36Å | 1.36Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| C8 | N1 | doub | 1.31Å | 1.32Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| N1 | C7 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C14 | doub | 1.42Å | 1.42Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| C14 | C6 | sing | 1.41Å | 1.43Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | N | sing | 1.40Å | 1.41Å | |
| N | C5 | sing | 1.35Å | 1.34Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C5 | O | doub | 1.21Å | 1.23Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | CL | sing | 1.74Å | 1.73Å | |
| C16 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.39Å | 1.37Å | Aromatic |
| C | F | sing | 1.35Å | 1.35Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.08Å | 1.08Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 120.6° | 119.5° |
| C10 | C11 | C12 | 120.6° | 121.1° |
| C11 | C10 | H5 | 119.7° | 120.2° |
| C10 | C11 | H12 | 119.7° | 119.5° |
| C10 | C9 | C8 | 123.0° | 122.0° |
| C10 | C9 | C14 | 119.1° | 119.3° |
| C9 | C10 | H5 | 119.7° | 120.3° |
| N1 | C8 | C9 | 124.3° | 120.2° |
| C8 | N1 | C7 | 117.5° | 122.9° |
| N1 | C8 | H4 | 117.9° | 119.9° |
| C8 | C9 | C14 | 117.7° | 118.7° |
| C9 | C8 | H4 | 117.8° | 119.9° |
| N1 | C7 | C6 | 125.3° | 121.5° |
| N1 | C7 | H3 | 117.4° | 119.3° |
| C11 | C12 | C13 | 120.7° | 121.0° |
| C11 | C12 | H11 | 119.7° | 119.5° |
| C12 | C11 | H12 | 119.7° | 119.5° |
| C9 | C14 | C6 | 117.9° | 118.2° |
| C9 | C14 | C13 | 117.9° | 119.6° |
| C7 | C6 | C14 | 117.2° | 118.5° |
| C7 | C6 | N | 119.5° | 120.8° |
| C6 | C7 | H3 | 117.3° | 119.2° |
| C12 | C13 | C14 | 121.1° | 119.5° |
| C12 | C13 | H6 | 119.4° | 120.3° |
| C13 | C12 | H11 | 119.6° | 119.5° |
| C6 | C14 | C13 | 124.0° | 122.2° |
| C14 | C6 | N | 121.5° | 120.8° |
| C14 | C13 | H6 | 119.5° | 120.3° |
| C6 | N | C5 | 130.7° | 120.0° |
| C6 | N | H10 | 114.7° | 120.0° |
| N | C5 | C4 | 114.4° | 120.0° |
| N | C5 | O | 123.4° | 120.0° |
| C5 | N | H10 | 114.7° | 120.0° |
| C4 | C5 | O | 121.9° | 120.0° |
| C5 | C4 | C3 | 111.1° | 109.5° |
| C5 | C4 | H1 | 109.1° | 109.5° |
| C5 | C4 | H2 | 109.1° | 109.5° |
| C4 | C3 | C15 | 120.3° | 120.0° |
| C4 | C3 | C2 | 121.0° | 119.9° |
| C3 | C4 | H1 | 109.1° | 109.4° |
| C3 | C4 | H2 | 109.1° | 109.5° |
| C15 | C3 | C2 | 118.7° | 120.1° |
| C3 | C15 | C16 | 120.3° | 120.0° |
| C3 | C15 | H7 | 119.8° | 120.0° |
| C3 | C2 | C1 | 121.3° | 120.0° |
| C3 | C2 | H8 | 119.3° | 120.0° |
| C15 | C16 | CL | 120.1° | 120.0° |
| C15 | C16 | C | 119.6° | 120.0° |
| C16 | C15 | H7 | 119.8° | 120.0° |
| C2 | C1 | C | 118.7° | 120.0° |
| C1 | C2 | H8 | 119.4° | 119.9° |
| C2 | C1 | H9 | 120.6° | 120.0° |
| CL | C16 | C | 120.2° | 120.0° |
| C16 | C | C1 | 121.3° | 119.9° |
| C16 | C | F | 119.2° | 120.1° |
| C1 | C | F | 119.5° | 120.0° |
| C | C1 | H9 | 120.6° | 120.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H5 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 174.5° | 180.0° |
| C10 | C11 | C12 | H12 | 180.0° | 179.9° |
| C11 | C10 | C9 | C14 | 0.6° | 0.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | C12 | H11 | 179.9° | 179.9° |
| C10 | C9 | C8 | N1 | 173.6° | 180.0° |
| C10 | C9 | C8 | C14 | 175.2° | 180.0° |
| C9 | C10 | C11 | C12 | 0.5° | 0.0° |
| C10 | C9 | C14 | C6 | 174.8° | 180.0° |
| C10 | C9 | C14 | C13 | 0.4° | 0.0° |
| C10 | C9 | C8 | H4 | 6.4° | 0.0° |
| C9 | C10 | C11 | H12 | 179.5° | 180.0° |
| N1 | C8 | C9 | H4 | 180.0° | 180.0° |
| N1 | C8 | C9 | C14 | 1.6° | 0.0° |
| C8 | N1 | C7 | C6 | 1.7° | 0.1° |
| C8 | N1 | C7 | H3 | 178.3° | 180.0° |
| C9 | C8 | N1 | C7 | 0.5° | 0.0° |
| C8 | C9 | C14 | C6 | 0.6° | 0.0° |
| C8 | C9 | C14 | C13 | 175.0° | 180.0° |
| C8 | C9 | C10 | H5 | 5.5° | 0.0° |
| N1 | C7 | C6 | H3 | 180.0° | 179.9° |
| N1 | C7 | C6 | C14 | 2.6° | 0.1° |
| N1 | C7 | C6 | N | 162.3° | 180.0° |
| C7 | N1 | C8 | H4 | 179.5° | 180.0° |
| C11 | C12 | C13 | H11 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C12 | C11 | C10 | H5 | 179.6° | 180.0° |
| C11 | C12 | C13 | H6 | 179.9° | 180.0° |
| C9 | C14 | C6 | C7 | 1.3° | 0.0° |
| C9 | C14 | C13 | C12 | 0.1° | 0.1° |
| C9 | C14 | C6 | C13 | 174.0° | 180.0° |
| C9 | C14 | C6 | N | 163.3° | 180.0° |
| C14 | C9 | C8 | H4 | 178.4° | 180.0° |
| C14 | C9 | C10 | H5 | 179.4° | 180.0° |
| C9 | C14 | C13 | H6 | 180.0° | 180.0° |
| C7 | C6 | C14 | N | 164.6° | 179.9° |
| C7 | C6 | C14 | C13 | 172.7° | 180.0° |
| C7 | C6 | N | C5 | 131.7° | 34.5° |
| C7 | C6 | N | H10 | 48.2° | 145.4° |
| C12 | C13 | C14 | C6 | 174.0° | 180.0° |
| C12 | C13 | C14 | H6 | 180.0° | 179.9° |
| C13 | C12 | C11 | H12 | 179.9° | 180.0° |
| C14 | C6 | N | C5 | 32.5° | 145.4° |
| C14 | C6 | C7 | H3 | 177.4° | 180.0° |
| C6 | C14 | C13 | H6 | 6.0° | 0.1° |
| C14 | C6 | N | H10 | 147.5° | 34.6° |
| C13 | C14 | C6 | N | 22.8° | 0.1° |
| C14 | C13 | C12 | H11 | 179.9° | 179.9° |
| C6 | N | C5 | H10 | 180.0° | 180.0° |
| C6 | N | C5 | C4 | 153.0° | 175.6° |
| C6 | N | C5 | O | 32.9° | 4.4° |
| N | C6 | C7 | H3 | 17.7° | 0.1° |
| N | C5 | C4 | O | 174.3° | 179.9° |
| N | C5 | C4 | C3 | 143.4° | 179.9° |
| N | C5 | C4 | H1 | 96.4° | 60.0° |
| N | C5 | C4 | H2 | 23.1° | 60.0° |
| C5 | C4 | C3 | H1 | 120.3° | 120.0° |
| C5 | C4 | C3 | H2 | 120.2° | 120.0° |
| C5 | C4 | C3 | C15 | 93.4° | 90.0° |
| C5 | C4 | C3 | C2 | 83.0° | 90.0° |
| C5 | C4 | H1 | H2 | 119.3° | 120.0° |
| C4 | C5 | N | H10 | 27.0° | 4.5° |
| O | C5 | C4 | C3 | 30.9° | 0.0° |
| O | C5 | C4 | H1 | 89.4° | 120.0° |
| O | C5 | C4 | H2 | 151.1° | 120.1° |
| O | C5 | N | H10 | 147.1° | 175.6° |
| C4 | C3 | C15 | C2 | 176.5° | 180.0° |
| C4 | C3 | C15 | C16 | 175.0° | 180.0° |
| C4 | C3 | C2 | C1 | 174.5° | 179.5° |
| C3 | C4 | H1 | H2 | 119.3° | 120.0° |
| C4 | C3 | C15 | H7 | 5.0° | 0.3° |
| C4 | C3 | C2 | H8 | 5.5° | 0.0° |
| C3 | C15 | C16 | H7 | 180.0° | 179.7° |
| C15 | C3 | C2 | C1 | 2.0° | 0.5° |
| C3 | C15 | C16 | CL | 177.2° | 179.7° |
| C3 | C15 | C16 | C | 0.5° | 0.2° |
| C15 | C3 | C4 | H1 | 146.4° | 30.0° |
| C15 | C3 | C4 | H2 | 26.9° | 150.0° |
| C15 | C3 | C2 | H8 | 178.0° | 180.0° |
| C2 | C3 | C15 | C16 | 1.5° | 0.0° |
| C3 | C2 | C1 | H8 | 180.0° | 179.5° |
| C3 | C2 | C1 | C | 0.5° | 0.8° |
| C2 | C3 | C4 | H1 | 37.2° | 150.0° |
| C2 | C3 | C4 | H2 | 156.7° | 30.0° |
| C2 | C3 | C15 | H7 | 178.6° | 179.7° |
| C3 | C2 | C1 | H9 | 179.5° | 180.0° |
| C15 | C16 | CL | C | 177.7° | 179.9° |
| C15 | C16 | C | C1 | 2.1° | 0.0° |
| C15 | C16 | C | F | 176.2° | 180.0° |
| C2 | C1 | C | C16 | 1.6° | 0.5° |
| C2 | C1 | C | H9 | 180.0° | 179.2° |
| C2 | C1 | C | F | 176.7° | 179.4° |
| CL | C16 | C | C1 | 175.6° | 179.9° |
| CL | C16 | C | F | 6.1° | 0.0° |
| CL | C16 | C15 | H7 | 2.8° | 0.0° |
| C16 | C | C1 | F | 178.3° | 180.0° |
| C | C16 | C15 | H7 | 179.5° | 179.9° |
| C16 | C | C1 | H9 | 178.4° | 179.7° |
| C | C1 | C2 | H8 | 179.5° | 179.7° |
| F | C | C1 | H9 | 3.3° | 0.2° |
| H5 | C10 | C11 | H12 | 0.4° | 0.1° |
| H6 | C13 | C12 | H11 | 0.1° | 0.0° |
| H8 | C2 | C1 | H9 | 0.5° | 0.5° |
| H11 | C12 | C11 | H12 | 0.1° | 0.0° |
