OMW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C10 | sing | 1.40Å | 1.37Å | |
| F4 | C10 | sing | 1.40Å | 1.36Å | |
| C10 | C9 | sing | 1.51Å | 1.54Å | |
| C10 | F3 | sing | 1.40Å | 1.37Å | |
| C11 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | O1 | sing | 1.43Å | 1.40Å | |
| O1 | C5 | sing | 1.36Å | 1.40Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| N | C | sing | 1.35Å | 1.45Å | |
| C14 | F1 | sing | 1.35Å | 1.37Å | |
| C14 | C1 | doub | 1.40Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | F | sing | 1.35Å | 1.36Å | |
| C1 | C | sing | 1.48Å | 1.53Å | |
| C | O | doub | 1.22Å | 1.18Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C10 | F4 | 108.3° | 109.5° |
| F2 | C10 | C9 | 109.4° | 109.4° |
| F2 | C10 | F3 | 109.4° | 109.4° |
| F4 | C10 | C9 | 110.9° | 109.5° |
| F4 | C10 | F3 | 109.4° | 109.5° |
| C9 | C10 | F3 | 109.4° | 109.5° |
| C10 | C9 | C11 | 121.8° | 120.0° |
| C10 | C9 | C8 | 118.5° | 120.0° |
| C9 | C11 | C12 | 121.3° | 120.0° |
| C11 | C9 | C8 | 119.7° | 120.0° |
| C9 | C11 | H3 | 119.3° | 120.0° |
| C11 | C12 | C13 | 118.6° | 120.0° |
| C12 | C11 | H3 | 119.3° | 120.0° |
| C11 | C12 | H4 | 120.7° | 120.0° |
| C9 | C8 | C7 | 119.5° | 120.0° |
| C9 | C8 | H10 | 120.3° | 120.0° |
| C12 | C13 | C7 | 120.1° | 120.0° |
| C13 | C12 | H4 | 120.7° | 120.0° |
| C12 | C13 | H5 | 119.9° | 120.0° |
| C8 | C7 | C13 | 120.7° | 120.0° |
| C8 | C7 | C6 | 118.4° | 120.0° |
| C7 | C8 | H10 | 120.2° | 120.0° |
| C13 | C7 | C6 | 120.9° | 120.0° |
| C7 | C13 | H5 | 119.9° | 120.0° |
| C7 | C6 | O1 | 106.6° | 109.5° |
| C7 | C6 | H8 | 110.2° | 109.5° |
| C7 | C6 | H9 | 110.2° | 109.5° |
| C6 | O1 | C5 | 115.1° | 117.0° |
| O1 | C6 | H8 | 110.2° | 109.5° |
| O1 | C6 | H9 | 110.2° | 109.5° |
| O1 | C5 | C4 | 122.7° | 120.0° |
| O1 | C5 | C14 | 116.7° | 119.9° |
| C5 | C4 | C3 | 119.5° | 120.3° |
| C4 | C5 | C14 | 120.6° | 120.1° |
| C5 | C4 | H7 | 120.3° | 119.8° |
| C4 | C3 | C2 | 119.0° | 120.2° |
| C4 | C3 | H6 | 120.5° | 119.9° |
| C3 | C4 | H7 | 120.3° | 119.9° |
| C5 | C14 | F1 | 119.4° | 120.1° |
| C5 | C14 | C1 | 119.6° | 119.7° |
| C3 | C2 | C1 | 121.0° | 119.9° |
| C3 | C2 | F | 120.4° | 120.0° |
| C2 | C3 | H6 | 120.5° | 119.9° |
| N | C | C1 | 117.2° | 120.0° |
| N | C | O | 121.9° | 120.0° |
| C | N | H1 | 120.0° | 120.0° |
| C | N | H2 | 120.0° | 120.0° |
| F1 | C14 | C1 | 121.0° | 120.1° |
| C14 | C1 | C2 | 120.3° | 119.7° |
| C14 | C1 | C | 119.5° | 120.2° |
| C1 | C2 | F | 118.6° | 120.0° |
| C2 | C1 | C | 120.2° | 120.2° |
| C1 | C | O | 120.9° | 120.0° |
| H1 | N | H2 | 120.0° | 120.0° |
| H8 | C6 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C10 | F4 | C9 | 120.0° | 119.9° |
| F2 | C10 | F4 | F3 | 119.2° | 120.0° |
| F2 | C10 | C9 | F3 | 119.8° | 119.9° |
| F2 | C10 | C9 | C11 | 131.6° | 120.0° |
| F2 | C10 | C9 | C8 | 48.0° | 60.1° |
| F4 | C10 | C9 | F3 | 120.8° | 120.1° |
| F4 | C10 | C9 | C11 | 12.3° | 120.0° |
| F4 | C10 | C9 | C8 | 167.4° | 59.9° |
| C10 | C9 | C11 | C8 | 179.7° | 179.9° |
| C10 | C9 | C11 | C12 | 179.8° | 179.9° |
| C10 | C9 | C8 | C7 | 180.0° | 180.0° |
| C10 | C9 | C11 | H3 | 0.2° | 0.3° |
| C10 | C9 | C8 | H10 | 0.0° | 0.0° |
| F3 | C10 | C9 | C11 | 108.5° | 0.1° |
| F3 | C10 | C9 | C8 | 71.8° | 180.0° |
| C9 | C11 | C12 | H3 | 180.0° | 179.7° |
| C9 | C11 | C12 | C13 | 0.1° | 0.1° |
| C11 | C9 | C8 | C7 | 0.3° | 0.1° |
| C9 | C11 | C12 | H4 | 179.8° | 180.0° |
| C11 | C9 | C8 | H10 | 179.7° | 180.0° |
| C12 | C11 | C9 | C8 | 0.1° | 0.0° |
| C11 | C12 | C13 | H4 | 180.0° | 179.9° |
| C11 | C12 | C13 | C7 | 0.3° | 0.1° |
| C11 | C12 | C13 | H5 | 179.8° | 180.0° |
| C9 | C8 | C7 | H10 | 180.0° | 180.0° |
| C9 | C8 | C7 | C13 | 0.4° | 0.1° |
| C9 | C8 | C7 | C6 | 179.0° | 180.0° |
| C8 | C9 | C11 | H3 | 179.8° | 179.7° |
| C12 | C13 | C7 | C8 | 0.4° | 0.0° |
| C12 | C13 | C7 | H5 | 180.0° | 180.0° |
| C12 | C13 | C7 | C6 | 179.0° | 179.9° |
| C13 | C12 | C11 | H3 | 179.8° | 179.7° |
| C8 | C7 | C13 | C6 | 178.6° | 179.9° |
| C8 | C7 | C6 | O1 | 175.5° | 90.0° |
| C8 | C7 | C13 | H5 | 179.6° | 180.0° |
| C8 | C7 | C6 | H8 | 56.0° | 30.0° |
| C8 | C7 | C6 | H9 | 65.0° | 150.0° |
| C13 | C7 | C6 | O1 | 5.9° | 90.0° |
| C7 | C13 | C12 | H4 | 179.7° | 180.0° |
| C13 | C7 | C6 | H8 | 125.5° | 150.0° |
| C13 | C7 | C6 | H9 | 113.6° | 30.0° |
| C13 | C7 | C8 | H10 | 179.6° | 180.0° |
| C7 | C6 | O1 | H8 | 119.5° | 120.1° |
| C7 | C6 | O1 | H9 | 119.6° | 120.0° |
| C7 | C6 | O1 | C5 | 174.0° | 180.0° |
| C6 | C7 | C13 | H5 | 1.0° | 0.0° |
| C7 | C6 | H8 | H9 | 121.4° | 120.0° |
| C6 | C7 | C8 | H10 | 1.0° | 0.0° |
| C6 | O1 | C5 | C4 | 12.2° | 0.0° |
| C6 | O1 | C5 | C14 | 168.8° | 179.7° |
| O1 | C6 | H8 | H9 | 121.3° | 120.0° |
| O1 | C5 | C4 | C14 | 179.0° | 179.7° |
| O1 | C5 | C4 | C3 | 179.2° | 180.0° |
| O1 | C5 | C14 | F1 | 0.7° | 0.3° |
| O1 | C5 | C14 | C1 | 180.0° | 179.7° |
| O1 | C5 | C4 | H7 | 0.8° | 0.3° |
| C5 | O1 | C6 | H8 | 54.5° | 60.0° |
| C5 | O1 | C6 | H9 | 66.5° | 60.0° |
| C5 | C4 | C3 | H7 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.8° | 0.3° |
| C4 | C5 | C14 | F1 | 179.8° | 180.0° |
| C4 | C5 | C14 | C1 | 1.0° | 0.0° |
| C5 | C4 | C3 | H6 | 179.2° | 179.7° |
| C3 | C4 | C5 | C14 | 0.2° | 0.3° |
| C4 | C3 | C2 | H6 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 1.0° | 0.0° |
| C4 | C3 | C2 | F | 179.2° | 180.0° |
| C5 | C14 | F1 | C1 | 179.2° | 180.0° |
| C5 | C14 | C1 | C2 | 0.8° | 0.3° |
| C5 | C14 | C1 | C | 179.4° | 180.0° |
| C14 | C5 | C4 | H7 | 179.8° | 180.0° |
| C3 | C2 | C1 | C14 | 0.2° | 0.3° |
| C3 | C2 | C1 | F | 179.8° | 180.0° |
| C3 | C2 | C1 | C | 178.4° | 180.0° |
| C2 | C3 | C4 | H7 | 179.2° | 180.0° |
| N | C | C1 | C14 | 57.4° | 90.0° |
| N | C | C1 | C2 | 121.2° | 89.7° |
| N | C | C1 | O | 178.1° | 180.0° |
| C | N | H1 | H2 | 180.0° | 179.7° |
| F1 | C14 | C1 | C2 | 180.0° | 179.7° |
| F1 | C14 | C1 | C | 1.4° | 0.0° |
| C14 | C1 | C2 | C | 178.6° | 179.8° |
| C14 | C1 | C2 | F | 180.0° | 179.7° |
| C14 | C1 | C | O | 124.5° | 90.0° |
| C2 | C1 | C | O | 56.9° | 90.3° |
| C1 | C2 | C3 | H6 | 179.0° | 180.0° |
| F | C2 | C1 | C | 1.4° | 0.0° |
| F | C2 | C3 | H6 | 0.8° | 0.0° |
| C1 | C | N | H1 | 178.0° | 180.0° |
| C1 | C | N | H2 | 2.0° | 0.3° |
| O | C | N | H1 | 0.0° | 0.0° |
| O | C | N | H2 | 180.0° | 179.7° |
| H3 | C11 | C12 | H4 | 0.2° | 0.3° |
| H4 | C12 | C13 | H5 | 0.3° | 0.0° |
| H6 | C3 | C4 | H7 | 0.8° | 0.0° |
