WIK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | C5 | sing | 1.48Å | 1.49Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.48Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C14 | N18 | doub | 1.32Å | 1.32Å | Aromatic |
| C14 | N15 | sing | 1.36Å | 1.34Å | Aromatic |
| N18 | N17 | sing | 1.28Å | 1.36Å | Aromatic |
| N15 | N16 | sing | 1.41Å | 1.35Å | Aromatic |
| N17 | N16 | doub | 1.29Å | 1.29Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.08Å | |
| C7 | HC7 | sing | 1.08Å | 1.08Å | |
| C6 | HC6 | sing | 1.08Å | 1.08Å | |
| C9 | HC9 | sing | 1.08Å | 1.08Å | |
| C1 | HC1A | sing | 1.09Å | 1.10Å | |
| C1 | HC1C | sing | 1.09Å | 1.10Å | |
| C1 | HC1B | sing | 1.09Å | 1.10Å | |
| C3 | HC3 | sing | 1.08Å | 1.08Å | |
| C10 | HC10 | sing | 1.08Å | 1.08Å | |
| C11 | HC11 | sing | 1.08Å | 1.08Å | |
| C12 | HC12 | sing | 1.08Å | 1.08Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 120.3° | 120.4° |
| C10 | C11 | C12 | 120.2° | 120.4° |
| C11 | C10 | HC10 | 119.8° | 119.8° |
| C10 | C11 | HC11 | 119.9° | 119.8° |
| C10 | C9 | C8 | 120.9° | 120.0° |
| C10 | C9 | HC9 | 119.5° | 120.0° |
| C9 | C10 | HC10 | 119.9° | 119.8° |
| C11 | C12 | C13 | 120.2° | 120.0° |
| C12 | C11 | HC11 | 119.9° | 119.8° |
| C11 | C12 | HC12 | 119.9° | 120.0° |
| C9 | C8 | C13 | 118.3° | 119.6° |
| C9 | C8 | C5 | 118.0° | 120.2° |
| C8 | C9 | HC9 | 119.5° | 120.0° |
| C12 | C13 | C8 | 120.0° | 119.6° |
| C12 | C13 | C14 | 117.2° | 120.2° |
| C13 | C12 | HC12 | 119.9° | 120.0° |
| C13 | C8 | C5 | 123.6° | 120.2° |
| C8 | C13 | C14 | 122.7° | 120.2° |
| C8 | C5 | C4 | 121.0° | 120.1° |
| C8 | C5 | C6 | 121.2° | 120.1° |
| C5 | C4 | C3 | 121.0° | 119.9° |
| C4 | C5 | C6 | 117.6° | 119.7° |
| C5 | C4 | HC4 | 119.5° | 120.0° |
| C4 | C3 | C2 | 121.3° | 120.1° |
| C3 | C4 | HC4 | 119.5° | 120.1° |
| C4 | C3 | HC3 | 119.3° | 119.9° |
| C13 | C14 | N18 | 127.3° | 126.5° |
| C13 | C14 | N15 | 124.7° | 126.5° |
| C5 | C6 | C7 | 120.9° | 119.9° |
| C5 | C6 | HC6 | 119.5° | 120.1° |
| C3 | C2 | C7 | 117.7° | 120.3° |
| C3 | C2 | C1 | 121.1° | 119.8° |
| C2 | C3 | HC3 | 119.4° | 119.9° |
| C6 | C7 | C2 | 121.3° | 120.1° |
| C6 | C7 | HC7 | 119.3° | 119.9° |
| C7 | C6 | HC6 | 119.5° | 120.0° |
| C7 | C2 | C1 | 121.1° | 119.9° |
| C2 | C7 | HC7 | 119.3° | 119.9° |
| C2 | C1 | HC1A | 109.5° | 109.4° |
| C2 | C1 | HC1C | 109.5° | 109.5° |
| C2 | C1 | HC1B | 109.4° | 109.5° |
| N18 | C14 | N15 | 107.9° | 107.0° |
| C14 | N18 | N17 | 106.1° | 110.5° |
| C14 | N15 | N16 | 109.0° | 105.2° |
| C14 | N15 | HN15 | 125.5° | 127.4° |
| N18 | N17 | N16 | 110.8° | 110.4° |
| N15 | N16 | N17 | 106.2° | 106.8° |
| N16 | N15 | HN15 | 125.5° | 127.4° |
| HC1A | C1 | HC1C | 109.4° | 109.5° |
| HC1A | C1 | HC1B | 109.5° | 109.5° |
| HC1C | C1 | HC1B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | HC10 | 180.0° | 180.0° |
| C10 | C11 | C12 | HC11 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C10 | C11 | C12 | C13 | 1.3° | 0.4° |
| C11 | C10 | C9 | HC9 | 179.9° | 179.8° |
| C10 | C11 | C12 | HC12 | 178.7° | 180.0° |
| C9 | C10 | C11 | C12 | 1.2° | 0.0° |
| C10 | C9 | C8 | HC9 | 180.0° | 179.8° |
| C10 | C9 | C8 | C13 | 1.4° | 0.3° |
| C10 | C9 | C8 | C5 | 177.1° | 179.8° |
| C9 | C10 | C11 | HC11 | 178.8° | 180.0° |
| C11 | C12 | C13 | HC12 | 180.0° | 179.6° |
| C11 | C12 | C13 | C8 | 0.1° | 0.6° |
| C11 | C12 | C13 | C14 | 177.1° | 180.0° |
| C12 | C11 | C10 | HC10 | 178.8° | 179.9° |
| C9 | C8 | C13 | C12 | 1.2° | 0.6° |
| C9 | C8 | C13 | C5 | 178.4° | 180.0° |
| C9 | C8 | C5 | C4 | 68.6° | 50.0° |
| C9 | C8 | C13 | C14 | 175.7° | 180.0° |
| C9 | C8 | C5 | C6 | 115.8° | 130.0° |
| C8 | C9 | C10 | HC10 | 179.8° | 180.0° |
| C12 | C13 | C8 | C14 | 176.9° | 179.4° |
| C12 | C13 | C8 | C5 | 177.1° | 179.5° |
| C12 | C13 | C14 | N18 | 128.5° | 179.5° |
| C12 | C13 | C14 | N15 | 49.8° | 0.9° |
| C13 | C12 | C11 | HC11 | 178.7° | 179.7° |
| C13 | C8 | C5 | C4 | 109.7° | 129.9° |
| C13 | C8 | C5 | C6 | 65.9° | 50.0° |
| C8 | C13 | C14 | N18 | 54.5° | 0.1° |
| C8 | C13 | C14 | N15 | 127.2° | 179.7° |
| C13 | C8 | C9 | HC9 | 178.7° | 179.9° |
| C8 | C13 | C12 | HC12 | 179.9° | 179.7° |
| C8 | C5 | C4 | C6 | 175.8° | 179.9° |
| C8 | C5 | C4 | C3 | 172.4° | 180.0° |
| C5 | C8 | C13 | C14 | 6.0° | 0.0° |
| C8 | C5 | C6 | C7 | 172.8° | 180.0° |
| C8 | C5 | C4 | HC4 | 7.6° | 0.4° |
| C8 | C5 | C6 | HC6 | 7.2° | 0.0° |
| C5 | C8 | C9 | HC9 | 2.9° | 0.0° |
| C5 | C4 | C3 | HC4 | 180.0° | 179.6° |
| C5 | C4 | C3 | C2 | 1.1° | 0.1° |
| C4 | C5 | C6 | C7 | 2.9° | 0.0° |
| C4 | C5 | C6 | HC6 | 177.1° | 180.0° |
| C5 | C4 | C3 | HC3 | 178.9° | 180.0° |
| C3 | C4 | C5 | C6 | 3.4° | 0.1° |
| C4 | C3 | C2 | HC3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 1.7° | 0.0° |
| C4 | C3 | C2 | C1 | 176.5° | 180.0° |
| C13 | C14 | N18 | N15 | 178.5° | 179.7° |
| C13 | C14 | N18 | N17 | 178.4° | 179.9° |
| C13 | C14 | N15 | N16 | 178.3° | 180.0° |
| C14 | C13 | C12 | HC12 | 2.9° | 0.3° |
| C13 | C14 | N15 | HN15 | 1.6° | 0.0° |
| C5 | C6 | C7 | HC6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.2° | 0.0° |
| C6 | C5 | C4 | HC4 | 176.7° | 179.7° |
| C5 | C6 | C7 | HC7 | 179.7° | 179.9° |
| C3 | C2 | C7 | C6 | 2.1° | 0.0° |
| C3 | C2 | C7 | C1 | 178.2° | 180.0° |
| C2 | C3 | C4 | HC4 | 178.9° | 179.7° |
| C3 | C2 | C7 | HC7 | 177.9° | 180.0° |
| C3 | C2 | C1 | HC1A | 89.1° | 90.0° |
| C3 | C2 | C1 | HC1C | 150.9° | 30.0° |
| C3 | C2 | C1 | HC1B | 30.9° | 150.0° |
| C6 | C7 | C2 | HC7 | 180.0° | 179.9° |
| C6 | C7 | C2 | C1 | 176.1° | 180.0° |
| C2 | C7 | C6 | HC6 | 179.8° | 180.0° |
| C7 | C2 | C1 | HC1A | 89.1° | 90.0° |
| C7 | C2 | C1 | HC1C | 30.9° | 150.0° |
| C7 | C2 | C1 | HC1B | 150.9° | 30.0° |
| C7 | C2 | C3 | HC3 | 178.3° | 180.0° |
| C1 | C2 | C7 | HC7 | 3.8° | 0.0° |
| C2 | C1 | HC1A | HC1C | 120.0° | 120.0° |
| C2 | C1 | HC1A | HC1B | 120.0° | 120.0° |
| C2 | C1 | HC1C | HC1B | 120.0° | 120.0° |
| C1 | C2 | C3 | HC3 | 3.5° | 0.1° |
| N18 | C14 | N15 | N16 | 0.3° | 0.2° |
| C14 | N18 | N17 | N16 | 0.1° | 0.4° |
| N18 | C14 | N15 | HN15 | 179.8° | 179.8° |
| N15 | C14 | N18 | N17 | 0.2° | 0.4° |
| C14 | N15 | N16 | HN15 | 180.0° | 180.0° |
| C14 | N15 | N16 | N17 | 0.2° | 0.0° |
| N18 | N17 | N16 | N15 | 0.1° | 0.3° |
| N17 | N16 | N15 | HN15 | 179.8° | 180.0° |
| HC4 | C4 | C3 | HC3 | 1.1° | 0.4° |
| HC7 | C7 | C6 | HC6 | 0.3° | 0.0° |
| HC9 | C9 | C10 | HC10 | 0.1° | 0.2° |
| HC1A | C1 | HC1C | HC1B | 120.0° | 120.0° |
| HC10 | C10 | C11 | HC11 | 1.2° | 0.0° |
| HC11 | C11 | C12 | HC12 | 1.3° | 0.1° |
