2WF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N14 | doub | 1.32Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| N14 | C15 | sing | 1.32Å | 1.36Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | N17 | sing | 1.39Å | 1.35Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| N17 | C18 | sing | 1.35Å | 1.35Å | |
| C20 | C18 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C11 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C3 | sing | 1.48Å | 1.49Å | |
| C18 | O19 | doub | 1.21Å | 1.22Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | N9 | sing | 1.31Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.36Å | 1.39Å | Aromatic |
| N9 | C8 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.41Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.36Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| N17 | H10 | sing | 0.97Å | 1.00Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N14 | C13 | C12 | 120.1° | 121.0° |
| C13 | N14 | C15 | 121.6° | 121.9° |
| N14 | C13 | H8 | 119.9° | 119.5° |
| C13 | C12 | C11 | 119.6° | 119.2° |
| C13 | C12 | H7 | 120.2° | 120.4° |
| C12 | C13 | H8 | 119.9° | 119.5° |
| N14 | C15 | N17 | 119.9° | 119.6° |
| N14 | C15 | C16 | 119.3° | 120.7° |
| C12 | C11 | C16 | 118.8° | 118.3° |
| C12 | C11 | C3 | 120.6° | 120.9° |
| C11 | C12 | H7 | 120.2° | 120.4° |
| N17 | C15 | C16 | 120.8° | 119.7° |
| C15 | N17 | C18 | 131.6° | 120.0° |
| C15 | N17 | H10 | 114.2° | 120.0° |
| C15 | C16 | C11 | 120.5° | 118.9° |
| C15 | C16 | H9 | 119.8° | 120.5° |
| N17 | C18 | C20 | 118.5° | 120.0° |
| N17 | C18 | O19 | 122.6° | 120.0° |
| C18 | N17 | H10 | 114.2° | 120.0° |
| C18 | C20 | C21 | 117.0° | 117.5° |
| C18 | C20 | C22 | 116.4° | 117.5° |
| C20 | C18 | O19 | 118.9° | 120.0° |
| C18 | C20 | H11 | 117.3° | 115.6° |
| C21 | C20 | C22 | 60.1° | 60.0° |
| C20 | C21 | C22 | 60.0° | 60.0° |
| C21 | C20 | H11 | 116.9° | 117.5° |
| C20 | C21 | H12 | 120.0° | 117.5° |
| C20 | C21 | H13 | 120.0° | 117.5° |
| C20 | C22 | C21 | 59.8° | 60.0° |
| C22 | C20 | H11 | 116.8° | 117.5° |
| C20 | C22 | H14 | 120.0° | 117.5° |
| C20 | C22 | H15 | 120.0° | 117.5° |
| C16 | C11 | C3 | 120.6° | 120.9° |
| C11 | C16 | H9 | 119.8° | 120.5° |
| C11 | C3 | C4 | 120.9° | 119.6° |
| C11 | C3 | C2 | 120.6° | 119.7° |
| C22 | C21 | H12 | 120.0° | 117.5° |
| C22 | C21 | H13 | 120.0° | 117.5° |
| C21 | C22 | H14 | 120.0° | 117.5° |
| C21 | C22 | H15 | 120.0° | 117.5° |
| C3 | C4 | C5 | 120.9° | 119.3° |
| C4 | C3 | C2 | 118.5° | 120.7° |
| C3 | C4 | H3 | 119.5° | 120.3° |
| C4 | C5 | C10 | 120.7° | 121.9° |
| C4 | C5 | C6 | 120.1° | 119.5° |
| C5 | C4 | H3 | 119.5° | 120.3° |
| C3 | C2 | C1 | 120.9° | 120.9° |
| C3 | C2 | H2 | 119.6° | 119.6° |
| C5 | C10 | N9 | 120.3° | 119.9° |
| C10 | C5 | C6 | 119.3° | 118.6° |
| C5 | C10 | H6 | 119.9° | 120.0° |
| C10 | N9 | C8 | 121.2° | 122.8° |
| N9 | C10 | H6 | 119.8° | 120.1° |
| C5 | C6 | C1 | 119.4° | 119.8° |
| C5 | C6 | C7 | 119.6° | 118.2° |
| C2 | C1 | C6 | 120.2° | 119.8° |
| C2 | C1 | H1 | 119.9° | 120.1° |
| C1 | C2 | H2 | 119.5° | 119.5° |
| N9 | C8 | C7 | 120.7° | 121.9° |
| N9 | C8 | H5 | 119.6° | 119.1° |
| C1 | C6 | C7 | 121.0° | 122.0° |
| C6 | C1 | H1 | 119.9° | 120.1° |
| C6 | C7 | C8 | 118.8° | 118.7° |
| C6 | C7 | H4 | 120.6° | 120.7° |
| C8 | C7 | H4 | 120.6° | 120.6° |
| C7 | C8 | H5 | 119.6° | 119.0° |
| H12 | C21 | H13 | 109.5° | 115.5° |
| H14 | C22 | H15 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N14 | C13 | C12 | H8 | 180.0° | 180.0° |
| N14 | C13 | C12 | C11 | 1.4° | 0.0° |
| C13 | N14 | C15 | N17 | 179.9° | 180.0° |
| C13 | N14 | C15 | C16 | 0.8° | 0.0° |
| N14 | C13 | C12 | H7 | 178.6° | 180.0° |
| C12 | C13 | N14 | C15 | 0.8° | 0.0° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 2.1° | 0.0° |
| C13 | C12 | C11 | C3 | 179.3° | 179.7° |
| N14 | C15 | N17 | C16 | 179.3° | 180.0° |
| N14 | C15 | N17 | C18 | 172.8° | 5.0° |
| N14 | C15 | C16 | C11 | 1.5° | 0.0° |
| C15 | N14 | C13 | H8 | 179.2° | 180.0° |
| N14 | C15 | C16 | H9 | 178.5° | 179.7° |
| N14 | C15 | N17 | H10 | 7.1° | 174.9° |
| C12 | C11 | C16 | C15 | 2.2° | 0.0° |
| C12 | C11 | C16 | C3 | 177.2° | 179.7° |
| C12 | C11 | C3 | C4 | 12.7° | 0.3° |
| C12 | C11 | C3 | C2 | 168.3° | 179.7° |
| C11 | C12 | C13 | H8 | 178.6° | 180.0° |
| C12 | C11 | C16 | H9 | 177.8° | 179.7° |
| C15 | N17 | C18 | H10 | 180.0° | 179.9° |
| C15 | N17 | C18 | C20 | 177.5° | 174.9° |
| N17 | C15 | C16 | C11 | 179.2° | 179.9° |
| C15 | N17 | C18 | O19 | 4.1° | 5.0° |
| N17 | C15 | C16 | H9 | 0.8° | 0.3° |
| C16 | C15 | N17 | C18 | 7.8° | 175.0° |
| C15 | C16 | C11 | H9 | 180.0° | 179.8° |
| C15 | C16 | C11 | C3 | 179.3° | 179.8° |
| C16 | C15 | N17 | H10 | 172.2° | 5.2° |
| N17 | C18 | C20 | O19 | 178.5° | 179.9° |
| N17 | C18 | C20 | C21 | 146.6° | 180.0° |
| N17 | C18 | C20 | C22 | 145.2° | 111.4° |
| N17 | C18 | C20 | H11 | 0.1° | 34.3° |
| C18 | C20 | C21 | C22 | 106.5° | 107.5° |
| C18 | C20 | C21 | H11 | 146.6° | 145.0° |
| C18 | C20 | C22 | H11 | 145.5° | 145.0° |
| C20 | C18 | N17 | H10 | 2.5° | 5.2° |
| C18 | C20 | C21 | H12 | 144.0° | 145.0° |
| C18 | C20 | C21 | H13 | 3.0° | 0.1° |
| C18 | C20 | C22 | H14 | 2.0° | 0.0° |
| C18 | C20 | C22 | H15 | 143.2° | 145.0° |
| C21 | C20 | C22 | H11 | 107.1° | 107.5° |
| C21 | C20 | C18 | O19 | 35.0° | 0.1° |
| C20 | C21 | C22 | H12 | 109.5° | 107.5° |
| C20 | C21 | C22 | H13 | 109.5° | 107.5° |
| C20 | C21 | H12 | H13 | 144.7° | 145.6° |
| C21 | C20 | C22 | H14 | 109.4° | 107.5° |
| C21 | C20 | C22 | H15 | 109.4° | 107.5° |
| C22 | C20 | C18 | O19 | 33.2° | 68.7° |
| C20 | C22 | H14 | H15 | 144.8° | 145.7° |
| C16 | C11 | C3 | C4 | 164.4° | 180.0° |
| C16 | C11 | C3 | C2 | 14.6° | 0.0° |
| C16 | C11 | C12 | H7 | 177.9° | 180.0° |
| C11 | C3 | C4 | C2 | 179.0° | 179.9° |
| C11 | C3 | C4 | C5 | 178.1° | 180.0° |
| C11 | C3 | C2 | C1 | 178.8° | 180.0° |
| C11 | C3 | C2 | H2 | 1.2° | 0.1° |
| C11 | C3 | C4 | H3 | 1.9° | 0.0° |
| C3 | C11 | C12 | H7 | 0.7° | 0.3° |
| C3 | C11 | C16 | H9 | 0.7° | 0.0° |
| O19 | C18 | N17 | H10 | 175.9° | 174.9° |
| O19 | C18 | C20 | H11 | 178.6° | 145.6° |
| C22 | C21 | H12 | H13 | 144.7° | 145.7° |
| C21 | C22 | H14 | H15 | 144.8° | 145.6° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C10 | 179.4° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.2° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C4 | C3 | C2 | H2 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 0.9° | 0.0° |
| C4 | C5 | C10 | C6 | 179.7° | 179.7° |
| C4 | C5 | C10 | N9 | 179.5° | 179.8° |
| C4 | C5 | C6 | C1 | 0.2° | 0.5° |
| C4 | C5 | C6 | C7 | 179.3° | 180.0° |
| C4 | C5 | C10 | H6 | 0.5° | 0.0° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.4° | 0.2° |
| C3 | C2 | C1 | H1 | 179.6° | 180.0° |
| C2 | C3 | C4 | H3 | 179.1° | 180.0° |
| C5 | C10 | N9 | H6 | 180.0° | 179.8° |
| C5 | C10 | N9 | C8 | 0.2° | 0.4° |
| C10 | C5 | C6 | C1 | 179.9° | 179.8° |
| C10 | C5 | C6 | C7 | 0.4° | 0.2° |
| C10 | C5 | C4 | H3 | 0.6° | 0.0° |
| N9 | C10 | C5 | C6 | 0.2° | 0.4° |
| C10 | N9 | C8 | C7 | 0.5° | 0.1° |
| C10 | N9 | C8 | H5 | 179.5° | 179.8° |
| C5 | C6 | C1 | C2 | 0.5° | 0.4° |
| C5 | C6 | C1 | C7 | 179.4° | 179.6° |
| C5 | C6 | C7 | C8 | 0.7° | 0.0° |
| C5 | C6 | C1 | H1 | 179.5° | 179.8° |
| C6 | C5 | C4 | H3 | 179.1° | 179.8° |
| C5 | C6 | C7 | H4 | 179.3° | 179.9° |
| C6 | C5 | C10 | H6 | 179.8° | 179.8° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | C7 | 179.9° | 180.0° |
| N9 | C8 | C7 | C6 | 0.7° | 0.1° |
| N9 | C8 | C7 | H5 | 180.0° | 179.9° |
| N9 | C8 | C7 | H4 | 179.3° | 179.9° |
| C8 | N9 | C10 | H6 | 179.8° | 179.8° |
| C1 | C6 | C7 | C8 | 179.9° | 179.5° |
| C6 | C1 | C2 | H2 | 179.6° | 179.7° |
| C1 | C6 | C7 | H4 | 0.1° | 0.5° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C7 | C6 | C1 | H1 | 0.1° | 0.2° |
| C6 | C7 | C8 | H5 | 179.2° | 180.0° |
| H1 | C1 | C2 | H2 | 0.4° | 0.0° |
| H4 | C7 | C8 | H5 | 0.8° | 0.0° |
| H7 | C12 | C13 | H8 | 1.4° | 0.0° |
| H11 | C20 | C21 | H12 | 2.5° | 0.0° |
| H11 | C20 | C21 | H13 | 143.6° | 145.0° |
| H11 | C20 | C22 | H14 | 143.5° | 145.1° |
| H11 | C20 | C22 | H15 | 2.3° | 0.0° |
| H12 | C21 | C22 | H14 | 141.1° | 145.0° |
| H12 | C21 | C22 | H15 | 0.1° | 0.0° |
| H13 | C21 | C22 | H14 | 0.1° | 0.0° |
| H13 | C21 | C22 | H15 | 141.1° | 145.0° |
