QN7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.36Å | 1.39Å | |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C10 | sing | 1.48Å | 1.46Å | |
| C8 | F9 | sing | 1.35Å | 1.35Å | |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | N24 | sing | 1.47Å | 1.48Å | |
| C16 | C28 | sing | 1.51Å | 1.52Å | |
| C17 | N18 | doub | 1.28Å | 1.30Å | |
| C17 | N22 | sing | 1.38Å | 1.36Å | |
| N18 | C19 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.54Å | 1.52Å | |
| C20 | F26 | sing | 1.40Å | 1.36Å | |
| C20 | F27 | sing | 1.40Å | 1.38Å | |
| C21 | N22 | sing | 1.47Å | 1.46Å | |
| N22 | C23 | sing | 1.37Å | 1.39Å | |
| C23 | N24 | doub | 1.30Å | 1.29Å | |
| C23 | N25 | sing | 1.38Å | 1.38Å | |
| C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | N31 | doub | 1.32Å | 1.34Å | Aromatic |
| N31 | C32 | sing | 1.32Å | 1.34Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| N25 | H251 | sing | 0.97Å | 1.00Å | |
| N25 | H252 | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 114.0° | 117.0° |
| O2 | C1 | H11C | 109.5° | 109.5° |
| O2 | C1 | H12C | 109.4° | 109.5° |
| O2 | C1 | H13C | 109.5° | 109.5° |
| O2 | C3 | C4 | 123.3° | 120.0° |
| O2 | C3 | C8 | 116.7° | 120.0° |
| C4 | C3 | C8 | 119.8° | 120.0° |
| C3 | C4 | C5 | 118.6° | 120.2° |
| C3 | C4 | H4 | 120.7° | 119.9° |
| C3 | C8 | C7 | 122.4° | 119.8° |
| C3 | C8 | F9 | 119.0° | 120.1° |
| C4 | C5 | C6 | 120.6° | 120.3° |
| C5 | C4 | H4 | 120.7° | 119.9° |
| C4 | C5 | H5 | 119.7° | 119.9° |
| C5 | C6 | C7 | 121.9° | 120.0° |
| C6 | C5 | H5 | 119.7° | 119.8° |
| C5 | C6 | H6 | 119.0° | 120.1° |
| C6 | C7 | C8 | 116.4° | 119.8° |
| C6 | C7 | C10 | 120.8° | 120.1° |
| C7 | C6 | H6 | 119.1° | 120.0° |
| C8 | C7 | C10 | 122.5° | 120.1° |
| C7 | C8 | F9 | 118.5° | 120.1° |
| C7 | C10 | C11 | 122.3° | 120.1° |
| C7 | C10 | C15 | 119.6° | 120.1° |
| C11 | C10 | C15 | 117.9° | 119.7° |
| C10 | C11 | C12 | 120.3° | 119.9° |
| C10 | C11 | H11 | 119.8° | 120.0° |
| C10 | C15 | C14 | 123.4° | 119.9° |
| C10 | C15 | H15 | 118.3° | 120.0° |
| C11 | C12 | C13 | 120.2° | 120.1° |
| C12 | C11 | H11 | 119.9° | 120.1° |
| C11 | C12 | H12 | 119.9° | 119.9° |
| C12 | C13 | C14 | 121.1° | 120.2° |
| C13 | C12 | H12 | 119.9° | 119.9° |
| C12 | C13 | H13 | 119.5° | 119.8° |
| C13 | C14 | C15 | 117.0° | 120.1° |
| C13 | C14 | C16 | 122.6° | 119.9° |
| C14 | C13 | H13 | 119.4° | 119.9° |
| C15 | C14 | C16 | 120.3° | 120.0° |
| C14 | C15 | H15 | 118.3° | 120.1° |
| C14 | C16 | C17 | 107.9° | 110.6° |
| C14 | C16 | N24 | 112.6° | 110.5° |
| C14 | C16 | C28 | 113.3° | 110.5° |
| C17 | C16 | N24 | 101.4° | 103.9° |
| C17 | C16 | C28 | 112.5° | 110.6° |
| C16 | C17 | N18 | 122.0° | 130.3° |
| C16 | C17 | N22 | 109.8° | 105.2° |
| N24 | C16 | C28 | 108.6° | 110.7° |
| C16 | N24 | C23 | 107.0° | 108.1° |
| C16 | C28 | C29 | 120.8° | 120.8° |
| C16 | C28 | C33 | 122.4° | 120.8° |
| N18 | C17 | N22 | 128.3° | 124.5° |
| C17 | N18 | C19 | 113.6° | 119.2° |
| C17 | N22 | C21 | 123.1° | 121.8° |
| C17 | N22 | C23 | 104.7° | 109.8° |
| N18 | C19 | C20 | 114.6° | 110.4° |
| N18 | C19 | H191 | 108.2° | 109.4° |
| N18 | C19 | H192 | 108.2° | 109.3° |
| C19 | C20 | C21 | 111.6° | 109.7° |
| C19 | C20 | F26 | 107.0° | 109.4° |
| C19 | C20 | F27 | 110.4° | 109.5° |
| C20 | C19 | H191 | 108.1° | 109.3° |
| C20 | C19 | H192 | 108.2° | 109.3° |
| C21 | C20 | F26 | 110.5° | 109.4° |
| C21 | C20 | F27 | 107.8° | 109.4° |
| C20 | C21 | N22 | 105.3° | 107.2° |
| C20 | C21 | H211 | 110.5° | 109.9° |
| C20 | C21 | H212 | 110.5° | 109.9° |
| F26 | C20 | F27 | 109.7° | 109.4° |
| C21 | N22 | C23 | 131.6° | 128.4° |
| N22 | C21 | H211 | 110.5° | 109.9° |
| N22 | C21 | H212 | 110.5° | 110.0° |
| N22 | C23 | N24 | 116.7° | 113.1° |
| N22 | C23 | N25 | 119.2° | 123.5° |
| N24 | C23 | N25 | 124.1° | 123.5° |
| C23 | N25 | H251 | 120.0° | 120.0° |
| C23 | N25 | H252 | 120.0° | 120.0° |
| C29 | C28 | C33 | 116.8° | 118.5° |
| C28 | C29 | C30 | 119.3° | 119.2° |
| C28 | C29 | H29 | 120.4° | 120.4° |
| C28 | C33 | C32 | 119.9° | 119.1° |
| C28 | C33 | H33 | 120.1° | 120.4° |
| C29 | C30 | N31 | 124.7° | 120.7° |
| C30 | C29 | H29 | 120.4° | 120.4° |
| C29 | C30 | H30 | 117.7° | 119.6° |
| C30 | N31 | C32 | 115.1° | 121.7° |
| N31 | C30 | H30 | 117.6° | 119.7° |
| N31 | C32 | C33 | 124.3° | 120.8° |
| N31 | C32 | H32 | 117.8° | 119.6° |
| C32 | C33 | H33 | 120.1° | 120.5° |
| C33 | C32 | H32 | 117.8° | 119.6° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.1° |
| H211 | C21 | H212 | 109.5° | 109.9° |
| H251 | N25 | H252 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C4 | 29.7° | 0.0° |
| C1 | O2 | C3 | C8 | 155.1° | 179.8° |
| O2 | C1 | H11C | H12C | 120.0° | 120.0° |
| O2 | C1 | H11C | H13C | 120.0° | 120.0° |
| O2 | C1 | H12C | H13C | 120.0° | 120.0° |
| O2 | C3 | C4 | C8 | 175.1° | 179.8° |
| O2 | C3 | C4 | C5 | 176.5° | 179.9° |
| O2 | C3 | C8 | C7 | 179.4° | 179.7° |
| O2 | C3 | C8 | F9 | 3.1° | 0.1° |
| C3 | O2 | C1 | H11C | 180.0° | 180.0° |
| C3 | O2 | C1 | H12C | 60.0° | 60.0° |
| C3 | O2 | C1 | H13C | 60.0° | 60.0° |
| O2 | C3 | C4 | H4 | 3.5° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 3.1° | 0.0° |
| C4 | C3 | C8 | C7 | 5.2° | 0.6° |
| C4 | C3 | C8 | F9 | 178.5° | 179.7° |
| C3 | C4 | C5 | H5 | 176.9° | 180.0° |
| C8 | C3 | C4 | C5 | 1.4° | 0.3° |
| C3 | C8 | C7 | C6 | 4.2° | 0.5° |
| C3 | C8 | C7 | F9 | 176.4° | 179.8° |
| C3 | C8 | C7 | C10 | 169.2° | 179.7° |
| C8 | C3 | C4 | H4 | 178.6° | 179.8° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 4.1° | 0.0° |
| C4 | C5 | C6 | H6 | 175.9° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.4° | 0.3° |
| C5 | C6 | C7 | C10 | 174.0° | 179.9° |
| C6 | C5 | C4 | H4 | 176.9° | 179.9° |
| C6 | C7 | C8 | C10 | 173.4° | 179.8° |
| C6 | C7 | C8 | F9 | 179.4° | 179.7° |
| C6 | C7 | C10 | C11 | 48.1° | 130.0° |
| C6 | C7 | C10 | C15 | 128.1° | 50.2° |
| C7 | C6 | C5 | H5 | 176.0° | 180.0° |
| C8 | C7 | C10 | C11 | 138.7° | 49.8° |
| C8 | C7 | C10 | C15 | 45.0° | 130.0° |
| C8 | C7 | C6 | H6 | 179.6° | 179.8° |
| C10 | C7 | C8 | F9 | 7.1° | 0.1° |
| C7 | C10 | C11 | C15 | 176.3° | 179.8° |
| C7 | C10 | C11 | C12 | 176.2° | 180.0° |
| C7 | C10 | C15 | C14 | 177.0° | 179.7° |
| C10 | C7 | C6 | H6 | 6.0° | 0.0° |
| C7 | C10 | C11 | H11 | 3.9° | 0.0° |
| C7 | C10 | C15 | H15 | 2.9° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.1° |
| C11 | C10 | C15 | C14 | 0.6° | 0.5° |
| C11 | C10 | C15 | H15 | 179.4° | 179.8° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| C15 | C10 | C11 | C12 | 0.2° | 0.2° |
| C10 | C15 | C14 | C13 | 1.7° | 0.5° |
| C10 | C15 | C14 | H15 | 180.0° | 179.7° |
| C10 | C15 | C14 | C16 | 179.3° | 179.7° |
| C15 | C10 | C11 | H11 | 179.8° | 179.8° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.4° | 0.1° |
| C11 | C12 | C13 | H13 | 178.6° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 2.1° | 0.2° |
| C12 | C13 | C14 | C16 | 179.6° | 180.0° |
| C13 | C12 | C11 | H11 | 179.8° | 179.9° |
| C13 | C14 | C15 | C16 | 177.6° | 179.8° |
| C13 | C14 | C16 | C17 | 110.0° | 29.9° |
| C13 | C14 | C16 | N24 | 138.9° | 144.4° |
| C13 | C14 | C16 | C28 | 15.2° | 92.8° |
| C13 | C14 | C15 | H15 | 178.2° | 179.8° |
| C14 | C13 | C12 | H12 | 178.6° | 180.0° |
| C15 | C14 | C16 | C17 | 67.4° | 150.3° |
| C15 | C14 | C16 | N24 | 43.6° | 35.8° |
| C15 | C14 | C16 | C28 | 167.3° | 87.0° |
| C15 | C14 | C13 | H13 | 177.9° | 179.7° |
| C14 | C16 | C17 | N24 | 118.5° | 118.6° |
| C14 | C16 | C17 | C28 | 125.7° | 122.7° |
| C14 | C16 | N24 | C28 | 126.3° | 122.7° |
| C14 | C16 | C17 | N18 | 56.7° | 62.1° |
| C14 | C16 | C17 | N22 | 124.3° | 117.6° |
| C14 | C16 | N24 | C23 | 119.1° | 118.1° |
| C14 | C16 | C28 | C29 | 90.5° | 89.2° |
| C14 | C16 | C28 | C33 | 87.1° | 91.0° |
| C16 | C14 | C15 | H15 | 0.7° | 0.0° |
| C16 | C14 | C13 | H13 | 0.4° | 0.1° |
| C17 | C16 | N24 | C28 | 118.6° | 118.7° |
| C16 | C17 | N18 | N22 | 178.8° | 179.6° |
| C16 | C17 | N18 | C19 | 179.6° | 178.9° |
| C16 | C17 | N22 | C21 | 177.7° | 178.5° |
| C16 | C17 | N22 | C23 | 5.2° | 1.2° |
| C17 | C16 | N24 | C23 | 4.1° | 0.5° |
| C17 | C16 | C28 | C29 | 146.8° | 148.0° |
| C17 | C16 | C28 | C33 | 35.7° | 31.7° |
| N24 | C16 | C17 | N18 | 175.2° | 179.3° |
| N24 | C16 | C17 | N22 | 5.8° | 1.0° |
| C16 | N24 | C23 | N22 | 1.2° | 0.2° |
| C16 | N24 | C23 | N25 | 179.2° | 179.8° |
| N24 | C16 | C28 | C29 | 35.4° | 33.5° |
| N24 | C16 | C28 | C33 | 147.1° | 146.3° |
| C28 | C16 | C17 | N18 | 69.0° | 60.6° |
| C28 | C16 | C17 | N22 | 110.0° | 119.8° |
| C28 | C16 | N24 | C23 | 114.6° | 119.2° |
| C16 | C28 | C29 | C33 | 177.7° | 179.8° |
| C16 | C28 | C29 | C30 | 179.1° | 180.0° |
| C16 | C28 | C33 | C32 | 178.9° | 179.7° |
| C16 | C28 | C29 | H29 | 1.0° | 0.0° |
| C16 | C28 | C33 | H33 | 1.0° | 0.0° |
| C17 | N18 | C19 | C20 | 25.8° | 31.1° |
| N18 | C17 | N22 | C21 | 3.4° | 1.2° |
| N18 | C17 | N22 | C23 | 175.9° | 179.1° |
| C17 | N18 | C19 | H191 | 94.9° | 151.4° |
| C17 | N18 | C19 | H192 | 146.6° | 89.2° |
| N22 | C17 | N18 | C19 | 0.7° | 1.5° |
| C17 | N22 | C21 | C20 | 28.8° | 25.5° |
| C17 | N22 | C21 | C23 | 170.2° | 179.6° |
| C17 | N22 | C23 | N24 | 2.6° | 0.9° |
| C17 | N22 | C23 | N25 | 177.0° | 179.1° |
| C17 | N22 | C21 | H211 | 90.6° | 144.9° |
| C17 | N22 | C21 | H212 | 148.1° | 94.0° |
| N18 | C19 | C20 | H191 | 120.7° | 120.3° |
| N18 | C19 | C20 | H192 | 120.8° | 120.3° |
| N18 | C19 | C20 | C21 | 53.1° | 57.2° |
| N18 | C19 | C20 | F26 | 174.0° | 62.9° |
| N18 | C19 | C20 | F27 | 66.7° | 177.2° |
| N18 | C19 | H191 | H192 | 117.7° | 119.5° |
| C19 | C20 | C21 | F26 | 118.9° | 120.1° |
| C19 | C20 | C21 | F27 | 121.3° | 120.1° |
| C19 | C20 | F26 | F27 | 119.7° | 119.9° |
| C19 | C20 | C21 | N22 | 50.6° | 52.8° |
| C20 | C19 | H191 | H192 | 117.6° | 119.5° |
| C19 | C20 | C21 | H211 | 68.7° | 172.2° |
| C19 | C20 | C21 | H212 | 169.9° | 66.7° |
| C21 | C20 | F26 | F27 | 118.7° | 119.9° |
| C20 | C21 | N22 | H211 | 119.3° | 119.4° |
| C20 | C21 | N22 | H212 | 119.3° | 119.4° |
| C20 | C21 | N22 | C23 | 161.0° | 154.2° |
| C21 | C20 | C19 | H191 | 67.7° | 177.5° |
| C21 | C20 | C19 | H192 | 173.9° | 63.1° |
| C20 | C21 | H211 | H212 | 121.9° | 121.0° |
| F26 | C20 | C21 | N22 | 169.5° | 67.3° |
| F26 | C20 | C19 | H191 | 53.3° | 57.4° |
| F26 | C20 | C19 | H192 | 65.2° | 176.8° |
| F26 | C20 | C21 | H211 | 50.2° | 52.2° |
| F26 | C20 | C21 | H212 | 71.2° | 173.2° |
| F27 | C20 | C21 | N22 | 70.7° | 172.9° |
| F27 | C20 | C19 | H191 | 172.6° | 62.4° |
| F27 | C20 | C19 | H192 | 54.1° | 56.9° |
| F27 | C20 | C21 | H211 | 170.0° | 67.7° |
| F27 | C20 | C21 | H212 | 48.7° | 53.4° |
| C21 | N22 | C23 | N24 | 174.2° | 178.7° |
| C21 | N22 | C23 | N25 | 5.4° | 1.3° |
| N22 | C21 | H211 | H212 | 122.0° | 121.2° |
| N22 | C23 | N24 | N25 | 179.6° | 180.0° |
| C23 | N22 | C21 | H211 | 79.7° | 34.8° |
| C23 | N22 | C21 | H212 | 41.7° | 86.4° |
| N22 | C23 | N25 | H251 | 179.5° | 0.0° |
| N22 | C23 | N25 | H252 | 0.4° | 180.0° |
| N24 | C23 | N25 | H251 | 0.0° | 180.0° |
| N24 | C23 | N25 | H252 | 180.0° | 0.0° |
| C23 | N25 | H251 | H252 | 180.0° | 180.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | N31 | 0.4° | 0.1° |
| C29 | C28 | C33 | C32 | 1.3° | 0.5° |
| C29 | C28 | C33 | H33 | 178.7° | 179.8° |
| C28 | C29 | C30 | H30 | 179.7° | 179.9° |
| C33 | C28 | C29 | C30 | 1.4° | 0.2° |
| C28 | C33 | C32 | N31 | 0.1° | 0.5° |
| C28 | C33 | C32 | H33 | 180.0° | 179.7° |
| C33 | C28 | C29 | H29 | 178.6° | 179.7° |
| C28 | C33 | C32 | H32 | 179.9° | 179.7° |
| C29 | C30 | N31 | H30 | 180.0° | 180.0° |
| C29 | C30 | N31 | C32 | 0.8° | 0.0° |
| C30 | N31 | C32 | C33 | 0.9° | 0.3° |
| N31 | C30 | C29 | H29 | 179.7° | 180.0° |
| C30 | N31 | C32 | H32 | 179.1° | 180.0° |
| N31 | C32 | C33 | H32 | 180.0° | 179.7° |
| N31 | C32 | C33 | H33 | 179.8° | 179.8° |
| C32 | N31 | C30 | H30 | 179.2° | 180.0° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 3.0° | 0.1° |
| H5 | C5 | C6 | H6 | 4.0° | 0.0° |
| H11 | C11 | C12 | H12 | 0.2° | 0.0° |
| H12 | C12 | C13 | H13 | 1.4° | 0.1° |
| H29 | C29 | C30 | H30 | 0.3° | 0.0° |
| H33 | C33 | C32 | H32 | 0.1° | 0.0° |
