9W7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.53Å | |
| F | C13 | sing | 1.35Å | 1.35Å | |
| N | O2 | doub | 1.22Å | 1.22Å | |
| N | O3 | sing | 1.22Å | 1.22Å | |
| N | C9 | sing | 1.48Å | 1.45Å | |
| O | C4 | sing | 1.36Å | 1.35Å | |
| CL | C11 | sing | 1.74Å | 1.73Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| O1 | C5 | sing | 1.36Å | 1.37Å | |
| O1 | C6 | sing | 1.36Å | 1.39Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HA | sing | 1.09Å | 1.10Å | |
| C | HB | sing | 1.09Å | 1.10Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 109.4° | 109.4° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C | HA | 109.5° | 109.5° |
| C1 | C | HB | 109.5° | 109.5° |
| C | C1 | H1 | 109.5° | 109.4° |
| C | C1 | H1A | 109.5° | 109.5° |
| F | C13 | C2 | 118.3° | 120.0° |
| F | C13 | C12 | 117.7° | 119.9° |
| O2 | N | O3 | 124.0° | 120.0° |
| O2 | N | C9 | 117.4° | 120.0° |
| O3 | N | C9 | 118.6° | 120.0° |
| N | C9 | C8 | 119.6° | 120.0° |
| N | C9 | C10 | 117.6° | 119.9° |
| O | C4 | C3 | 121.5° | 120.0° |
| O | C4 | C5 | 118.4° | 120.1° |
| C4 | O | HO | 109.5° | 114.0° |
| CL | C11 | C6 | 120.1° | 120.1° |
| CL | C11 | C10 | 118.4° | 120.0° |
| C1 | C2 | C3 | 118.6° | 120.0° |
| C1 | C2 | C13 | 124.6° | 119.9° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C5 | O1 | C6 | 120.3° | 118.0° |
| O1 | C5 | C4 | 116.3° | 120.1° |
| O1 | C5 | C12 | 123.5° | 120.0° |
| O1 | C6 | C7 | 123.8° | 120.1° |
| O1 | C6 | C11 | 116.7° | 120.1° |
| C3 | C2 | C13 | 116.8° | 120.1° |
| C2 | C3 | C4 | 120.9° | 120.0° |
| C2 | C3 | H3 | 119.6° | 120.0° |
| C2 | C13 | C12 | 123.7° | 120.1° |
| C3 | C4 | C5 | 119.7° | 119.9° |
| C4 | C3 | H3 | 119.5° | 120.0° |
| C4 | C5 | C12 | 120.2° | 119.9° |
| C5 | C12 | C13 | 118.5° | 119.9° |
| C5 | C12 | H12 | 120.8° | 120.0° |
| C7 | C6 | C11 | 119.4° | 119.9° |
| C6 | C7 | C8 | 119.9° | 120.0° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C6 | C11 | C10 | 121.2° | 119.9° |
| C7 | C8 | C9 | 118.7° | 120.1° |
| C8 | C7 | H7 | 120.1° | 120.0° |
| C7 | C8 | H8 | 120.7° | 120.0° |
| C8 | C9 | C10 | 122.5° | 120.1° |
| C9 | C8 | H8 | 120.7° | 119.9° |
| C9 | C10 | C11 | 118.2° | 120.0° |
| C9 | C10 | H10 | 120.9° | 120.0° |
| C11 | C10 | H10 | 120.9° | 120.0° |
| C13 | C12 | H12 | 120.8° | 120.1° |
| H | C | HA | 109.4° | 109.5° |
| H | C | HB | 109.5° | 109.5° |
| HA | C | HB | 109.5° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | H1 | 120.0° | 119.9° |
| C | C1 | C2 | H1A | 120.0° | 120.0° |
| C | C1 | C2 | C3 | 81.7° | 100.0° |
| C | C1 | C2 | C13 | 97.1° | 80.3° |
| C1 | C | H | HA | 120.0° | 120.0° |
| C1 | C | H | HB | 120.0° | 120.0° |
| C1 | C | HA | HB | 120.0° | 120.0° |
| C | C1 | H1 | H1A | 120.0° | 120.0° |
| F | C13 | C2 | C1 | 11.8° | 0.1° |
| F | C13 | C2 | C3 | 167.1° | 179.7° |
| F | C13 | C2 | C12 | 173.5° | 179.7° |
| F | C13 | C12 | C5 | 166.9° | 179.8° |
| F | C13 | C12 | H12 | 13.1° | 0.0° |
| O2 | N | O3 | C9 | 176.4° | 179.9° |
| O2 | N | C9 | C8 | 174.8° | 0.1° |
| O2 | N | C9 | C10 | 0.7° | 180.0° |
| O3 | N | C9 | C8 | 1.9° | 180.0° |
| O3 | N | C9 | C10 | 176.0° | 0.1° |
| N | C9 | C8 | C7 | 173.1° | 179.9° |
| N | C9 | C8 | C10 | 173.8° | 179.9° |
| N | C9 | C10 | C11 | 171.6° | 179.7° |
| N | C9 | C8 | H8 | 7.0° | 0.1° |
| N | C9 | C10 | H10 | 8.4° | 0.1° |
| O | C4 | C5 | O1 | 4.2° | 0.0° |
| O | C4 | C3 | C2 | 173.2° | 180.0° |
| O | C4 | C3 | C5 | 172.8° | 180.0° |
| O | C4 | C5 | C12 | 173.3° | 180.0° |
| O | C4 | C3 | H3 | 6.8° | 0.1° |
| CL | C11 | C6 | O1 | 4.6° | 0.1° |
| CL | C11 | C6 | C7 | 173.8° | 179.7° |
| CL | C11 | C6 | C10 | 174.2° | 179.6° |
| CL | C11 | C10 | C9 | 172.2° | 179.7° |
| CL | C11 | C10 | H10 | 7.8° | 0.1° |
| C1 | C2 | C3 | C13 | 178.9° | 179.7° |
| C1 | C2 | C3 | C4 | 178.3° | 180.0° |
| C1 | C2 | C13 | C12 | 174.7° | 179.8° |
| C2 | C1 | C | H | 180.0° | 60.0° |
| C2 | C1 | C | HA | 60.0° | 180.0° |
| C2 | C1 | C | HB | 60.0° | 60.0° |
| C2 | C1 | H1 | H1A | 120.0° | 120.1° |
| C1 | C2 | C3 | H3 | 1.7° | 0.0° |
| O1 | C5 | C4 | C3 | 177.2° | 180.0° |
| O1 | C5 | C4 | C12 | 177.5° | 180.0° |
| C5 | O1 | C6 | C7 | 8.0° | 5.8° |
| C5 | O1 | C6 | C11 | 170.4° | 174.6° |
| O1 | C5 | C12 | C13 | 179.7° | 179.8° |
| O1 | C5 | C12 | H12 | 0.3° | 0.0° |
| C6 | O1 | C5 | C4 | 94.1° | 81.0° |
| C6 | O1 | C5 | C12 | 88.6° | 99.0° |
| O1 | C6 | C7 | C11 | 178.3° | 179.6° |
| O1 | C6 | C7 | C8 | 177.1° | 180.0° |
| O1 | C6 | C11 | C10 | 178.8° | 179.7° |
| O1 | C6 | C7 | H7 | 2.9° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C3 | C2 | C13 | C12 | 6.5° | 0.6° |
| C3 | C2 | C1 | H1 | 158.3° | 19.9° |
| C3 | C2 | C1 | H1A | 38.3° | 140.0° |
| C13 | C2 | C3 | C4 | 2.8° | 0.3° |
| C2 | C13 | C12 | C5 | 6.7° | 0.5° |
| C13 | C2 | C1 | H1 | 22.9° | 159.8° |
| C13 | C2 | C1 | H1A | 142.9° | 39.7° |
| C13 | C2 | C3 | H3 | 177.2° | 179.7° |
| C2 | C13 | C12 | H12 | 173.3° | 179.7° |
| C3 | C4 | C5 | C12 | 0.3° | 0.0° |
| C3 | C4 | O | HO | 180.0° | 90.0° |
| C4 | C5 | C12 | C13 | 3.1° | 0.3° |
| C5 | C4 | O | HO | 7.1° | 90.0° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| C4 | C5 | C12 | H12 | 176.9° | 180.0° |
| C5 | C12 | C13 | H12 | 180.0° | 179.7° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 1.1° | 0.0° |
| C7 | C6 | C11 | C10 | 0.4° | 0.7° |
| C6 | C7 | C8 | H8 | 178.9° | 180.0° |
| C11 | C6 | C7 | C8 | 1.3° | 0.3° |
| C6 | C11 | C10 | C9 | 2.1° | 0.7° |
| C11 | C6 | C7 | H7 | 178.7° | 179.7° |
| C6 | C11 | C10 | H10 | 177.9° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.7° | 0.0° |
| C8 | C9 | C10 | C11 | 2.3° | 0.3° |
| C9 | C8 | C7 | H7 | 178.9° | 180.0° |
| C8 | C9 | C10 | H10 | 177.7° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.6° |
| C10 | C9 | C8 | H8 | 179.3° | 180.0° |
| H | C | HA | HB | 120.0° | 120.0° |
| H | C | C1 | H1 | 60.0° | 179.9° |
| H | C | C1 | H1A | 60.1° | 60.0° |
| HA | C | C1 | H1 | 60.0° | 60.0° |
| HA | C | C1 | H1A | 180.0° | 60.0° |
| HB | C | C1 | H1 | 180.0° | 60.0° |
| HB | C | C1 | H1A | 60.0° | 180.0° |
| H7 | C7 | C8 | H8 | 1.1° | 0.0° |
