WAN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.51Å | 1.53Å | |
| C23 | C18 | sing | 1.41Å | 1.39Å | Aromatic |
| C23 | N22 | doub | 1.31Å | 1.33Å | Aromatic |
| C18 | N17 | sing | 1.35Å | 1.34Å | |
| C18 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| N17 | C13 | doub | 1.31Å | 1.34Å | |
| N22 | N20 | sing | 1.40Å | 1.23Å | Aromatic |
| N20 | C21 | sing | 1.47Å | 1.48Å | |
| N20 | C19 | sing | 1.37Å | 1.33Å | Aromatic |
| C19 | C15 | sing | 1.41Å | 1.39Å | |
| C15 | O16 | doub | 1.22Å | 1.23Å | |
| C15 | N14 | sing | 1.35Å | 1.40Å | |
| N14 | C13 | sing | 1.37Å | 1.40Å | |
| C13 | C12 | sing | 1.47Å | 1.39Å | |
| C12 | C6 | sing | 1.45Å | 1.34Å | Aromatic |
| C12 | C8 | doub | 1.37Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.33Å | 1.33Å | Aromatic |
| C5 | S2 | sing | 1.76Å | 1.75Å | |
| C5 | S7 | sing | 1.76Å | 1.71Å | Aromatic |
| S2 | O3 | doub | 1.42Å | 1.50Å | |
| S2 | O4 | doub | 1.42Å | 1.50Å | |
| S2 | N1 | sing | 1.66Å | 1.63Å | |
| S7 | C8 | sing | 1.70Å | 1.71Å | Aromatic |
| C8 | O9 | sing | 1.36Å | 1.36Å | |
| O9 | C10 | sing | 1.43Å | 1.44Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | HN1A | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 110.9° | 109.5° |
| C25 | C26 | H26 | 109.5° | 109.5° |
| C25 | C26 | H26A | 109.4° | 109.5° |
| C25 | C26 | H26B | 109.5° | 109.4° |
| C26 | C25 | H25 | 109.0° | 109.5° |
| C26 | C25 | H25A | 108.6° | 109.4° |
| C25 | C24 | C23 | 111.1° | 109.5° |
| C24 | C25 | H25 | 109.0° | 109.5° |
| C24 | C25 | H25A | 108.7° | 109.4° |
| C25 | C24 | H24 | 108.9° | 109.5° |
| C25 | C24 | H24A | 108.6° | 109.4° |
| C24 | C23 | C18 | 126.4° | 125.6° |
| C24 | C23 | N22 | 126.6° | 125.6° |
| C23 | C24 | H24 | 108.9° | 109.5° |
| C23 | C24 | H24A | 108.6° | 109.5° |
| C18 | C23 | N22 | 107.0° | 108.8° |
| C23 | C18 | N17 | 134.0° | 133.6° |
| C23 | C18 | C19 | 104.5° | 106.9° |
| C23 | N22 | N20 | 110.2° | 109.4° |
| N17 | C18 | C19 | 121.5° | 119.4° |
| C18 | N17 | C13 | 120.8° | 121.1° |
| C18 | C19 | N20 | 105.9° | 106.9° |
| C18 | C19 | C15 | 119.4° | 118.9° |
| N17 | C13 | N14 | 120.3° | 121.8° |
| N17 | C13 | C12 | 120.1° | 119.1° |
| N22 | N20 | C21 | 123.7° | 126.1° |
| N22 | N20 | C19 | 112.3° | 107.9° |
| C21 | N20 | C19 | 124.0° | 126.0° |
| N20 | C21 | H21 | 109.5° | 109.5° |
| N20 | C21 | H21A | 109.4° | 109.5° |
| N20 | C21 | H21B | 109.4° | 109.5° |
| N20 | C19 | C15 | 134.6° | 134.2° |
| C19 | C15 | O16 | 121.3° | 120.8° |
| C19 | C15 | N14 | 118.3° | 118.5° |
| O16 | C15 | N14 | 120.4° | 120.8° |
| C15 | N14 | C13 | 119.7° | 120.3° |
| C15 | N14 | HN14 | 120.1° | 119.8° |
| N14 | C13 | C12 | 119.5° | 119.0° |
| C13 | N14 | HN14 | 120.2° | 119.9° |
| C13 | C12 | C6 | 126.0° | 123.6° |
| C13 | C12 | C8 | 120.0° | 123.5° |
| C6 | C12 | C8 | 113.9° | 112.9° |
| C12 | C6 | C5 | 115.2° | 113.2° |
| C12 | C6 | H6 | 122.4° | 123.4° |
| C12 | C8 | S7 | 108.3° | 110.8° |
| C12 | C8 | O9 | 125.6° | 124.6° |
| C6 | C5 | S2 | 125.4° | 124.7° |
| C6 | C5 | S7 | 110.2° | 110.7° |
| C5 | C6 | H6 | 122.4° | 123.4° |
| S2 | C5 | S7 | 124.3° | 124.7° |
| C5 | S2 | O3 | 109.4° | 106.4° |
| C5 | S2 | O4 | 109.2° | 106.4° |
| C5 | S2 | N1 | 108.9° | 107.2° |
| C5 | S7 | C8 | 92.3° | 92.5° |
| O3 | S2 | O4 | 109.8° | 123.2° |
| O3 | S2 | N1 | 109.6° | 106.4° |
| O4 | S2 | N1 | 110.0° | 106.4° |
| S2 | N1 | HN1 | 109.5° | 120.0° |
| S2 | N1 | HN1A | 109.4° | 120.0° |
| S7 | C8 | O9 | 126.1° | 124.6° |
| C8 | O9 | C10 | 110.0° | 117.0° |
| O9 | C10 | C11 | 108.9° | 109.5° |
| O9 | C10 | H10 | 109.7° | 109.4° |
| O9 | C10 | H10A | 109.8° | 109.5° |
| C11 | C10 | H10 | 109.7° | 109.5° |
| C11 | C10 | H10A | 109.8° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H11A | 109.4° | 109.5° |
| C10 | C11 | H11B | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H26 | C26 | H26B | 109.4° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H25 | C25 | H25A | 110.6° | 109.5° |
| H24 | C24 | H24A | 110.7° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | H21B | 109.4° | 109.4° |
| H21A | C21 | H21B | 109.5° | 109.4° |
| HN1 | N1 | HN1A | 109.5° | 120.0° |
| H10 | C10 | H10A | 109.0° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | H11B | 109.4° | 109.4° |
| H11A | C11 | H11B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | H25 | 120.0° | 120.0° |
| C26 | C25 | C24 | H25A | 119.4° | 119.9° |
| C26 | C25 | C24 | C23 | 142.4° | 180.0° |
| C25 | C26 | H26 | H26A | 120.0° | 120.0° |
| C25 | C26 | H26 | H26B | 120.0° | 120.0° |
| C25 | C26 | H26A | H26B | 120.0° | 120.0° |
| C26 | C25 | H25 | H25A | 119.4° | 120.0° |
| C26 | C25 | C24 | H24 | 97.6° | 60.0° |
| C26 | C25 | C24 | H24A | 23.1° | 60.1° |
| C25 | C24 | C23 | H24 | 120.0° | 120.0° |
| C25 | C24 | C23 | H24A | 119.3° | 119.9° |
| C25 | C24 | C23 | C18 | 70.2° | 90.0° |
| C25 | C24 | C23 | N22 | 110.8° | 90.2° |
| C24 | C25 | C26 | H26 | 115.6° | 60.0° |
| C24 | C25 | C26 | H26A | 124.4° | 180.0° |
| C24 | C25 | C26 | H26B | 4.4° | 60.0° |
| C24 | C25 | H25 | H25A | 119.4° | 120.0° |
| C25 | C24 | H24 | H24A | 119.3° | 120.0° |
| C24 | C23 | C18 | N22 | 179.2° | 179.8° |
| C24 | C23 | C18 | N17 | 0.4° | 0.0° |
| C24 | C23 | C18 | C19 | 179.1° | 180.0° |
| C24 | C23 | N22 | N20 | 179.0° | 180.0° |
| C23 | C24 | C25 | H25 | 22.4° | 60.0° |
| C23 | C24 | C25 | H25A | 98.2° | 60.0° |
| C23 | C24 | H24 | H24A | 119.3° | 120.0° |
| C23 | C18 | N17 | C19 | 179.5° | 180.0° |
| C23 | C18 | N17 | C13 | 179.6° | 180.0° |
| C18 | C23 | N22 | N20 | 0.2° | 0.2° |
| C23 | C18 | C19 | N20 | 0.1° | 0.2° |
| C23 | C18 | C19 | C15 | 179.8° | 180.0° |
| C18 | C23 | C24 | H24 | 49.9° | 30.0° |
| C18 | C23 | C24 | H24A | 170.5° | 150.0° |
| N22 | C23 | C18 | N17 | 179.6° | 179.8° |
| N22 | C23 | C18 | C19 | 0.1° | 0.2° |
| C23 | N22 | N20 | C21 | 178.2° | 180.0° |
| C23 | N22 | N20 | C19 | 0.3° | 0.1° |
| N22 | C23 | C24 | H24 | 129.2° | 149.7° |
| N22 | C23 | C24 | H24A | 8.6° | 29.7° |
| N17 | C18 | C19 | N20 | 179.5° | 179.9° |
| N17 | C18 | C19 | C15 | 0.2° | 0.1° |
| C18 | N17 | C13 | N14 | 0.2° | 0.1° |
| C18 | N17 | C13 | C12 | 178.6° | 180.0° |
| C19 | C18 | N17 | C13 | 0.1° | 0.0° |
| C18 | C19 | N20 | N22 | 0.2° | 0.1° |
| C18 | C19 | N20 | C21 | 178.2° | 179.9° |
| C18 | C19 | N20 | C15 | 179.7° | 179.7° |
| C18 | C19 | C15 | O16 | 179.2° | 180.0° |
| C18 | C19 | C15 | N14 | 0.1° | 0.1° |
| N17 | C13 | N14 | C15 | 0.3° | 0.1° |
| N17 | C13 | N14 | C12 | 178.8° | 179.9° |
| N17 | C13 | C12 | C6 | 46.7° | 180.0° |
| N17 | C13 | C12 | C8 | 135.9° | 0.3° |
| N17 | C13 | N14 | HN14 | 179.7° | 179.9° |
| N22 | N20 | C21 | C19 | 178.3° | 179.9° |
| N22 | N20 | C19 | C15 | 179.9° | 179.8° |
| N22 | N20 | C21 | H21 | 24.0° | 89.9° |
| N22 | N20 | C21 | H21A | 144.0° | 150.1° |
| N22 | N20 | C21 | H21B | 95.9° | 30.1° |
| C21 | N20 | C19 | C15 | 1.5° | 0.1° |
| N20 | C21 | H21 | H21A | 120.0° | 120.1° |
| N20 | C21 | H21 | H21B | 120.0° | 120.0° |
| N20 | C21 | H21A | H21B | 120.0° | 120.0° |
| N20 | C19 | C15 | O16 | 0.4° | 0.3° |
| N20 | C19 | C15 | N14 | 179.6° | 179.8° |
| C19 | N20 | C21 | H21 | 157.7° | 90.2° |
| C19 | N20 | C21 | H21A | 37.7° | 29.9° |
| C19 | N20 | C21 | H21B | 82.3° | 149.8° |
| C19 | C15 | O16 | N14 | 179.2° | 179.9° |
| C19 | C15 | N14 | C13 | 0.2° | 0.0° |
| C19 | C15 | N14 | HN14 | 179.8° | 180.0° |
| O16 | C15 | N14 | C13 | 179.0° | 179.9° |
| O16 | C15 | N14 | HN14 | 1.0° | 0.1° |
| C15 | N14 | C13 | HN14 | 180.0° | 180.0° |
| C15 | N14 | C13 | C12 | 178.5° | 179.9° |
| N14 | C13 | C12 | C6 | 132.1° | 0.1° |
| N14 | C13 | C12 | C8 | 45.3° | 179.8° |
| C13 | C12 | C6 | C8 | 177.6° | 179.8° |
| C13 | C12 | C6 | C5 | 177.3° | 180.0° |
| C13 | C12 | C8 | S7 | 177.6° | 179.8° |
| C13 | C12 | C8 | O9 | 2.0° | 0.0° |
| C12 | C13 | N14 | HN14 | 1.5° | 0.0° |
| C13 | C12 | C6 | H6 | 2.7° | 0.0° |
| C12 | C6 | C5 | H6 | 180.0° | 180.0° |
| C12 | C6 | C5 | S2 | 176.8° | 180.0° |
| C12 | C6 | C5 | S7 | 0.3° | 0.0° |
| C6 | C12 | C8 | S7 | 0.1° | 0.4° |
| C6 | C12 | C8 | O9 | 179.7° | 179.7° |
| C8 | C12 | C6 | C5 | 0.3° | 0.2° |
| C12 | C8 | S7 | C5 | 0.0° | 0.4° |
| C12 | C8 | S7 | O9 | 179.6° | 179.9° |
| C12 | C8 | O9 | C10 | 163.7° | 180.0° |
| C8 | C12 | C6 | H6 | 179.7° | 179.8° |
| C6 | C5 | S2 | S7 | 176.7° | 179.9° |
| C6 | C5 | S2 | O3 | 18.3° | 156.4° |
| C6 | C5 | S2 | O4 | 101.8° | 23.5° |
| C6 | C5 | S2 | N1 | 138.1° | 90.0° |
| C6 | C5 | S7 | C8 | 0.2° | 0.2° |
| C5 | S2 | O3 | O4 | 119.8° | 123.0° |
| C5 | S2 | O3 | N1 | 119.3° | 114.0° |
| C5 | S2 | O4 | N1 | 119.4° | 114.1° |
| S2 | C5 | S7 | C8 | 177.0° | 179.9° |
| S2 | C5 | C6 | H6 | 3.2° | 0.0° |
| C5 | S2 | N1 | HN1 | 36.5° | 150.0° |
| C5 | S2 | N1 | HN1A | 83.5° | 30.0° |
| S7 | C5 | S2 | O3 | 158.4° | 23.5° |
| S7 | C5 | S2 | O4 | 81.4° | 156.4° |
| S7 | C5 | S2 | N1 | 38.7° | 90.0° |
| C5 | S7 | C8 | O9 | 179.6° | 179.8° |
| S7 | C5 | C6 | H6 | 179.7° | 179.9° |
| O3 | S2 | O4 | N1 | 120.7° | 122.9° |
| O3 | S2 | N1 | HN1 | 83.1° | 36.5° |
| O3 | S2 | N1 | HN1A | 156.9° | 143.6° |
| O4 | S2 | N1 | HN1 | 156.1° | 96.4° |
| O4 | S2 | N1 | HN1A | 36.1° | 83.5° |
| S2 | N1 | HN1 | HN1A | 120.0° | 180.0° |
| S7 | C8 | O9 | C10 | 15.8° | 0.2° |
| C8 | O9 | C10 | C11 | 167.7° | 180.0° |
| C8 | O9 | C10 | H10 | 47.7° | 60.0° |
| C8 | O9 | C10 | H10A | 72.1° | 60.0° |
| O9 | C10 | C11 | H10 | 120.0° | 120.0° |
| O9 | C10 | C11 | H10A | 120.2° | 120.0° |
| O9 | C10 | H10 | H10A | 120.2° | 120.0° |
| O9 | C10 | C11 | H11 | 158.2° | 180.0° |
| O9 | C10 | C11 | H11A | 81.8° | 60.0° |
| O9 | C10 | C11 | H11B | 38.2° | 60.0° |
| C11 | C10 | H10 | H10A | 120.3° | 120.0° |
| C10 | C11 | H11 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11B | 120.0° | 120.0° |
| C10 | C11 | H11A | H11B | 120.0° | 120.0° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| H26 | C26 | C25 | H25 | 124.4° | 180.0° |
| H26 | C26 | C25 | H25A | 3.8° | 60.0° |
| H26A | C26 | C25 | H25 | 4.4° | 60.0° |
| H26A | C26 | C25 | H25A | 116.2° | 60.0° |
| H26B | C26 | C25 | H25 | 115.6° | 60.0° |
| H26B | C26 | C25 | H25A | 123.8° | 180.0° |
| H25 | C25 | C24 | H24 | 142.4° | 180.0° |
| H25 | C25 | C24 | H24A | 96.9° | 60.0° |
| H25A | C25 | C24 | H24 | 21.8° | 60.0° |
| H25A | C25 | C24 | H24A | 142.5° | 180.0° |
| H21 | C21 | H21A | H21B | 120.0° | 119.9° |
| H10 | C10 | C11 | H11 | 38.2° | 60.0° |
| H10 | C10 | C11 | H11A | 158.2° | 179.9° |
| H10 | C10 | C11 | H11B | 81.8° | 60.0° |
| H10A | C10 | C11 | H11 | 81.6° | 60.0° |
| H10A | C10 | C11 | H11A | 38.4° | 60.1° |
| H10A | C10 | C11 | H11B | 158.4° | 180.0° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
