WLV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F01 | C02 | sing | 1.35Å | 1.35Å | |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | N07 | sing | 1.40Å | 1.46Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | O11 | sing | 1.43Å | 1.41Å | |
| C10 | C08 | sing | 1.51Å | 1.53Å | |
| N07 | C08 | sing | 1.35Å | 1.46Å | |
| O11 | C12 | sing | 1.36Å | 1.40Å | |
| C12 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | O09 | doub | 1.21Å | 1.19Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| N07 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C02 | C03 | 116.3° | 120.0° |
| F01 | C02 | C18 | 122.5° | 120.0° |
| C02 | C03 | C04 | 119.0° | 120.1° |
| C03 | C02 | C18 | 121.3° | 120.0° |
| C02 | C03 | H6 | 120.5° | 120.0° |
| C03 | C04 | C05 | 120.5° | 120.1° |
| C04 | C03 | H6 | 120.5° | 119.9° |
| C03 | C04 | H7 | 119.7° | 120.0° |
| C02 | C18 | C06 | 118.8° | 119.9° |
| C02 | C18 | H11 | 120.6° | 120.0° |
| C04 | C05 | C06 | 121.3° | 120.0° |
| C05 | C04 | H7 | 119.8° | 119.9° |
| C04 | C05 | H8 | 119.3° | 120.0° |
| C18 | C06 | C05 | 119.2° | 119.9° |
| C18 | C06 | N07 | 128.3° | 120.1° |
| C06 | C18 | H11 | 120.6° | 120.0° |
| C05 | C06 | N07 | 112.5° | 120.1° |
| C06 | C05 | H8 | 119.3° | 120.0° |
| C06 | N07 | C08 | 129.8° | 120.0° |
| C06 | N07 | H12 | 115.1° | 120.1° |
| C14 | C13 | C12 | 120.5° | 119.9° |
| C13 | C14 | C15 | 120.0° | 120.1° |
| C14 | C13 | H3 | 119.8° | 120.0° |
| C13 | C14 | H9 | 120.0° | 119.9° |
| C13 | C12 | O11 | 120.0° | 120.0° |
| C13 | C12 | C17 | 119.5° | 119.9° |
| C12 | C13 | H3 | 119.7° | 120.1° |
| C14 | C15 | C16 | 120.0° | 120.1° |
| C14 | C15 | H4 | 120.0° | 120.0° |
| C15 | C14 | H9 | 120.0° | 120.0° |
| O11 | C10 | C08 | 107.7° | 109.5° |
| C10 | O11 | C12 | 117.2° | 117.0° |
| O11 | C10 | H1 | 109.9° | 109.4° |
| O11 | C10 | H2 | 109.9° | 109.4° |
| C10 | C08 | N07 | 126.6° | 120.0° |
| C10 | C08 | O09 | 117.4° | 120.0° |
| C08 | C10 | H1 | 109.9° | 109.5° |
| C08 | C10 | H2 | 109.9° | 109.5° |
| N07 | C08 | O09 | 116.0° | 120.0° |
| C08 | N07 | H12 | 115.1° | 120.0° |
| O11 | C12 | C17 | 120.6° | 120.0° |
| C12 | C17 | C16 | 120.1° | 119.9° |
| C12 | C17 | H5 | 119.9° | 120.1° |
| C15 | C16 | C17 | 119.9° | 120.1° |
| C16 | C15 | H4 | 120.0° | 119.9° |
| C15 | C16 | H10 | 120.1° | 120.0° |
| C16 | C17 | H5 | 119.9° | 120.0° |
| C17 | C16 | H10 | 120.0° | 120.0° |
| H1 | C10 | H2 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C02 | C03 | C18 | 179.0° | 179.7° |
| F01 | C02 | C03 | C04 | 180.0° | 179.8° |
| F01 | C02 | C18 | C06 | 179.1° | 179.8° |
| F01 | C02 | C03 | H6 | 0.1° | 0.3° |
| F01 | C02 | C18 | H11 | 0.9° | 0.3° |
| C02 | C03 | C04 | H6 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.8° | 0.1° |
| C03 | C02 | C18 | C06 | 0.2° | 0.0° |
| C02 | C03 | C04 | H7 | 179.2° | 180.0° |
| C03 | C02 | C18 | H11 | 179.8° | 180.0° |
| C04 | C03 | C02 | C18 | 1.0° | 0.0° |
| C03 | C04 | C05 | H7 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.1° |
| C03 | C04 | C05 | H8 | 179.8° | 180.0° |
| C02 | C18 | C06 | H11 | 180.0° | 180.0° |
| C02 | C18 | C06 | C05 | 0.8° | 0.1° |
| C02 | C18 | C06 | N07 | 178.5° | 180.0° |
| C18 | C02 | C03 | H6 | 179.0° | 180.0° |
| C04 | C05 | C06 | C18 | 1.0° | 0.1° |
| C04 | C05 | C06 | H8 | 180.0° | 179.9° |
| C04 | C05 | C06 | N07 | 179.1° | 179.9° |
| C05 | C04 | C03 | H6 | 179.3° | 180.0° |
| C18 | C06 | C05 | N07 | 178.0° | 180.0° |
| C18 | C06 | N07 | C08 | 45.0° | 146.7° |
| C18 | C06 | C05 | H8 | 179.0° | 180.0° |
| C18 | C06 | N07 | H12 | 135.0° | 33.3° |
| C05 | C06 | N07 | C08 | 137.2° | 33.2° |
| C06 | C05 | C04 | H7 | 179.7° | 179.9° |
| C05 | C06 | C18 | H11 | 179.2° | 180.0° |
| C05 | C06 | N07 | H12 | 42.8° | 146.7° |
| C06 | N07 | C08 | C10 | 2.1° | 174.7° |
| C06 | N07 | C08 | H12 | 180.0° | 179.9° |
| C06 | N07 | C08 | O09 | 178.2° | 5.3° |
| N07 | C06 | C05 | H8 | 0.9° | 0.1° |
| N07 | C06 | C18 | H11 | 1.5° | 0.0° |
| C14 | C13 | C12 | H3 | 180.0° | 179.7° |
| C13 | C14 | C15 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | O11 | 179.7° | 180.0° |
| C14 | C13 | C12 | C17 | 0.3° | 0.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | C15 | H4 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C12 | O11 | C10 | 64.3° | 180.0° |
| C13 | C12 | O11 | C17 | 179.4° | 180.0° |
| C13 | C12 | C17 | C16 | 0.3° | 0.0° |
| C13 | C12 | C17 | H5 | 179.7° | 180.0° |
| C12 | C13 | C14 | H9 | 179.8° | 180.0° |
| C14 | C15 | C16 | H4 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.0° | 0.1° |
| C15 | C14 | C13 | H3 | 179.8° | 179.7° |
| C14 | C15 | C16 | H10 | 180.0° | 180.0° |
| O11 | C10 | C08 | H1 | 119.7° | 120.0° |
| O11 | C10 | C08 | H2 | 119.7° | 120.0° |
| O11 | C10 | C08 | N07 | 122.1° | 179.9° |
| C10 | O11 | C12 | C17 | 116.3° | 0.0° |
| O11 | C10 | C08 | O09 | 57.6° | 0.0° |
| O11 | C10 | H1 | H2 | 120.8° | 119.9° |
| C10 | C08 | N07 | O09 | 179.7° | 179.9° |
| C08 | C10 | O11 | C12 | 136.2° | 180.0° |
| C08 | C10 | H1 | H2 | 120.8° | 120.1° |
| C10 | C08 | N07 | H12 | 177.9° | 5.2° |
| N07 | C08 | C10 | H1 | 2.3° | 60.0° |
| N07 | C08 | C10 | H2 | 118.2° | 60.1° |
| O11 | C12 | C17 | C16 | 179.6° | 180.0° |
| C12 | O11 | C10 | H1 | 104.1° | 60.0° |
| C12 | O11 | C10 | H2 | 16.4° | 60.0° |
| O11 | C12 | C13 | H3 | 0.3° | 0.3° |
| O11 | C12 | C17 | H5 | 0.3° | 0.0° |
| C12 | C17 | C16 | C15 | 0.1° | 0.1° |
| C12 | C17 | C16 | H5 | 180.0° | 179.9° |
| C17 | C12 | C13 | H3 | 179.7° | 179.7° |
| C12 | C17 | C16 | H10 | 179.9° | 180.0° |
| O09 | C08 | C10 | H1 | 177.4° | 120.0° |
| O09 | C08 | C10 | H2 | 62.1° | 120.0° |
| O09 | C08 | N07 | H12 | 1.8° | 174.7° |
| C15 | C16 | C17 | H10 | 180.0° | 180.0° |
| C15 | C16 | C17 | H5 | 179.8° | 180.0° |
| C16 | C15 | C14 | H9 | 179.9° | 180.0° |
| C17 | C16 | C15 | H4 | 180.0° | 180.0° |
| H3 | C13 | C14 | H9 | 0.2° | 0.3° |
| H4 | C15 | C14 | H9 | 0.1° | 0.1° |
| H4 | C15 | C16 | H10 | 0.0° | 0.0° |
| H5 | C17 | C16 | H10 | 0.1° | 0.0° |
| H6 | C03 | C04 | H7 | 0.7° | 0.0° |
| H7 | C04 | C05 | H8 | 0.2° | 0.0° |
