WNR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.43Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.43Å | Aromatic |
| C3 | C18 | sing | 1.48Å | 1.51Å | |
| C4 | C5 | sing | 1.39Å | 1.43Å | Aromatic |
| C4 | O7 | sing | 1.36Å | 1.36Å | |
| C5 | C6 | doub | 1.38Å | 1.34Å | Aromatic |
| O7 | C17 | sing | 1.43Å | 1.53Å | |
| C8 | C9 | doub | 1.38Å | 1.42Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.46Å | Aromatic |
| C9 | C17 | sing | 1.51Å | 1.47Å | |
| C10 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.48Å | Aromatic |
| C11 | C14 | sing | 1.48Å | 1.46Å | |
| C12 | C13 | doub | 1.38Å | 1.35Å | Aromatic |
| C14 | O15 | doub | 1.21Å | 1.20Å | |
| C14 | O16 | sing | 1.35Å | 1.43Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.49Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.43Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| O16 | H14 | sing | 0.97Å | 0.95Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.9° | 120.2° |
| C1 | C2 | C3 | 119.8° | 120.0° |
| C2 | C1 | H11 | 120.1° | 119.9° |
| C1 | C2 | H12 | 120.1° | 120.0° |
| C1 | C6 | C5 | 124.2° | 120.3° |
| C1 | C6 | H2 | 117.9° | 119.8° |
| C6 | C1 | H11 | 120.0° | 119.9° |
| C2 | C3 | C4 | 116.8° | 119.7° |
| C2 | C3 | C18 | 117.6° | 120.1° |
| C3 | C2 | H12 | 120.1° | 120.1° |
| C4 | C3 | C18 | 125.7° | 120.2° |
| C3 | C4 | C5 | 122.6° | 119.8° |
| C3 | C4 | O7 | 116.4° | 120.2° |
| C3 | C18 | C19 | 119.6° | 120.2° |
| C3 | C18 | C23 | 122.5° | 120.1° |
| C5 | C4 | O7 | 120.9° | 120.1° |
| C4 | C5 | C6 | 116.7° | 120.0° |
| C4 | C5 | H1 | 121.6° | 120.0° |
| C4 | O7 | C17 | 113.6° | 117.0° |
| C6 | C5 | H1 | 121.7° | 120.0° |
| C5 | C6 | H2 | 117.9° | 119.9° |
| O7 | C17 | C9 | 100.7° | 109.5° |
| O7 | C17 | H6 | 111.6° | 109.5° |
| O7 | C17 | H7 | 111.6° | 109.5° |
| C9 | C8 | C13 | 118.6° | 120.3° |
| C8 | C9 | C10 | 126.9° | 120.2° |
| C8 | C9 | C17 | 110.3° | 119.9° |
| C9 | C8 | H3 | 120.7° | 119.9° |
| C8 | C13 | C12 | 114.4° | 120.2° |
| C13 | C8 | H3 | 120.7° | 119.9° |
| C8 | C13 | H5 | 122.8° | 119.9° |
| C10 | C9 | C17 | 122.2° | 119.9° |
| C9 | C10 | C11 | 113.4° | 119.8° |
| C9 | C10 | H4 | 123.3° | 120.1° |
| C9 | C17 | H6 | 111.6° | 109.4° |
| C9 | C17 | H7 | 111.6° | 109.5° |
| C10 | C11 | C12 | 117.0° | 119.7° |
| C10 | C11 | C14 | 119.5° | 120.2° |
| C11 | C10 | H4 | 123.3° | 120.1° |
| C12 | C11 | C14 | 123.3° | 120.1° |
| C11 | C12 | C13 | 129.0° | 119.8° |
| C11 | C12 | H13 | 115.5° | 120.1° |
| C11 | C14 | O15 | 127.6° | 120.0° |
| C11 | C14 | O16 | 108.2° | 120.0° |
| C12 | C13 | H5 | 122.8° | 119.9° |
| C13 | C12 | H13 | 115.5° | 120.1° |
| O15 | C14 | O16 | 123.9° | 120.0° |
| C14 | O16 | H14 | 109.5° | 117.0° |
| C19 | C18 | C23 | 117.8° | 119.7° |
| C18 | C19 | C20 | 121.9° | 119.9° |
| C18 | C19 | H15 | 119.1° | 120.0° |
| C18 | C23 | C22 | 118.4° | 119.8° |
| C18 | C23 | H16 | 120.8° | 120.0° |
| C19 | C20 | C21 | 120.9° | 120.2° |
| C19 | C20 | H8 | 119.5° | 119.9° |
| C20 | C19 | H15 | 119.0° | 120.1° |
| C20 | C21 | C22 | 119.7° | 120.2° |
| C21 | C20 | H8 | 119.6° | 120.0° |
| C20 | C21 | H9 | 120.2° | 119.9° |
| C21 | C22 | C23 | 121.3° | 120.2° |
| C22 | C21 | H9 | 120.1° | 119.9° |
| C21 | C22 | H10 | 119.3° | 119.9° |
| C23 | C22 | H10 | 119.4° | 119.9° |
| C22 | C23 | H16 | 120.8° | 120.1° |
| H6 | C17 | H7 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H11 | 180.0° | 179.8° |
| C1 | C2 | C3 | H12 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 0.9° | 0.5° |
| C1 | C2 | C3 | C18 | 179.2° | 180.0° |
| C2 | C1 | C6 | C5 | 1.5° | 0.1° |
| C2 | C1 | C6 | H2 | 178.5° | 180.0° |
| C6 | C1 | C2 | C3 | 0.8° | 0.2° |
| C1 | C6 | C5 | C4 | 0.5° | 0.1° |
| C1 | C6 | C5 | H2 | 180.0° | 179.9° |
| C1 | C6 | C5 | H1 | 179.6° | 180.0° |
| C6 | C1 | C2 | H12 | 179.2° | 180.0° |
| C2 | C3 | C4 | C18 | 179.9° | 179.4° |
| C2 | C3 | C4 | C5 | 2.0° | 0.5° |
| C2 | C3 | C4 | O7 | 176.3° | 179.7° |
| C2 | C3 | C18 | C19 | 44.2° | 50.0° |
| C2 | C3 | C18 | C23 | 136.5° | 130.6° |
| C3 | C2 | C1 | H11 | 179.2° | 180.0° |
| C3 | C4 | C5 | O7 | 178.2° | 179.8° |
| C3 | C4 | C5 | C6 | 1.3° | 0.2° |
| C3 | C4 | O7 | C17 | 128.6° | 179.7° |
| C4 | C3 | C18 | C19 | 135.7° | 129.5° |
| C4 | C3 | C18 | C23 | 43.6° | 50.0° |
| C3 | C4 | C5 | H1 | 178.7° | 179.7° |
| C4 | C3 | C2 | H12 | 179.2° | 179.7° |
| C18 | C3 | C4 | C5 | 178.1° | 180.0° |
| C18 | C3 | C4 | O7 | 3.6° | 0.3° |
| C3 | C18 | C19 | C23 | 179.3° | 179.5° |
| C3 | C18 | C19 | C20 | 179.0° | 180.0° |
| C3 | C18 | C23 | C22 | 179.0° | 179.7° |
| C18 | C3 | C2 | H12 | 0.8° | 0.3° |
| C3 | C18 | C19 | H15 | 1.0° | 0.5° |
| C3 | C18 | C23 | H16 | 1.0° | 0.3° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C5 | C4 | O7 | C17 | 49.7° | 0.1° |
| C4 | C5 | C6 | H2 | 179.5° | 180.0° |
| O7 | C4 | C5 | C6 | 176.9° | 180.0° |
| C4 | O7 | C17 | C9 | 167.2° | 180.0° |
| O7 | C4 | C5 | H1 | 3.2° | 0.1° |
| C4 | O7 | C17 | H6 | 74.2° | 60.0° |
| C4 | O7 | C17 | H7 | 48.6° | 60.0° |
| C5 | C6 | C1 | H11 | 178.5° | 179.7° |
| O7 | C17 | C9 | C8 | 100.3° | 90.0° |
| O7 | C17 | C9 | C10 | 71.0° | 90.0° |
| O7 | C17 | C9 | H6 | 118.6° | 120.0° |
| O7 | C17 | C9 | H7 | 118.6° | 120.0° |
| O7 | C17 | H6 | H7 | 124.1° | 120.0° |
| C9 | C8 | C13 | H3 | 180.0° | 179.7° |
| C8 | C9 | C10 | C17 | 169.8° | 180.0° |
| C8 | C9 | C10 | C11 | 8.3° | 0.1° |
| C9 | C8 | C13 | C12 | 2.3° | 0.0° |
| C8 | C9 | C10 | H4 | 171.7° | 180.0° |
| C9 | C8 | C13 | H5 | 177.7° | 180.0° |
| C8 | C9 | C17 | H6 | 18.3° | 30.1° |
| C8 | C9 | C17 | H7 | 141.1° | 150.0° |
| C13 | C8 | C9 | C10 | 5.0° | 0.0° |
| C13 | C8 | C9 | C17 | 175.8° | 180.0° |
| C8 | C13 | C12 | C11 | 6.2° | 0.0° |
| C8 | C13 | C12 | H5 | 180.0° | 180.0° |
| C8 | C13 | C12 | H13 | 173.8° | 180.0° |
| C9 | C10 | C11 | H4 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 4.4° | 0.1° |
| C9 | C10 | C11 | C14 | 179.7° | 180.0° |
| C10 | C9 | C8 | H3 | 175.0° | 179.7° |
| C10 | C9 | C17 | H6 | 170.5° | 149.9° |
| C10 | C9 | C17 | H7 | 47.6° | 30.0° |
| C17 | C9 | C10 | C11 | 178.1° | 179.9° |
| C17 | C9 | C8 | H3 | 4.3° | 0.3° |
| C17 | C9 | C10 | H4 | 1.9° | 0.0° |
| C9 | C17 | H6 | H7 | 124.1° | 120.0° |
| C10 | C11 | C12 | C14 | 175.8° | 179.9° |
| C10 | C11 | C12 | C13 | 2.6° | 0.1° |
| C10 | C11 | C14 | O15 | 38.7° | 0.1° |
| C10 | C11 | C14 | O16 | 147.8° | 179.9° |
| C10 | C11 | C12 | H13 | 177.4° | 179.9° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C12 | C11 | C14 | O15 | 145.6° | 179.9° |
| C12 | C11 | C14 | O16 | 27.9° | 0.0° |
| C12 | C11 | C10 | H4 | 175.6° | 180.0° |
| C11 | C12 | C13 | H5 | 173.9° | 180.0° |
| C14 | C11 | C12 | C13 | 173.2° | 179.9° |
| C11 | C14 | O15 | O16 | 172.5° | 180.0° |
| C14 | C11 | C10 | H4 | 0.3° | 0.1° |
| C14 | C11 | C12 | H13 | 6.9° | 0.0° |
| C11 | C14 | O16 | H14 | 173.8° | 179.9° |
| C12 | C13 | C8 | H3 | 177.7° | 179.7° |
| O15 | C14 | O16 | H14 | 0.0° | 0.1° |
| C18 | C19 | C20 | H15 | 180.0° | 179.5° |
| C18 | C19 | C20 | C21 | 0.9° | 0.0° |
| C19 | C18 | C23 | C22 | 1.7° | 0.8° |
| C18 | C19 | C20 | H8 | 179.1° | 179.7° |
| C19 | C18 | C23 | H16 | 178.3° | 179.7° |
| C23 | C18 | C19 | C20 | 1.7° | 0.6° |
| C18 | C23 | C22 | C21 | 1.0° | 0.6° |
| C18 | C23 | C22 | H16 | 180.0° | 179.4° |
| C18 | C23 | C22 | H10 | 179.0° | 179.4° |
| C23 | C18 | C19 | H15 | 178.3° | 180.0° |
| C19 | C20 | C21 | H8 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 0.2° | 0.2° |
| C19 | C20 | C21 | H9 | 179.8° | 179.8° |
| C20 | C21 | C22 | H9 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C20 | C21 | C22 | H10 | 179.8° | 179.9° |
| C21 | C20 | C19 | H15 | 179.1° | 179.5° |
| C21 | C22 | C23 | H10 | 180.0° | 180.0° |
| C22 | C21 | C20 | H8 | 179.8° | 180.0° |
| C21 | C22 | C23 | H16 | 179.0° | 180.0° |
| C23 | C22 | C21 | H9 | 179.7° | 180.0° |
| H1 | C5 | C6 | H2 | 0.5° | 0.1° |
| H2 | C6 | C1 | H11 | 1.5° | 0.2° |
| H3 | C8 | C13 | H5 | 2.3° | 0.3° |
| H5 | C13 | C12 | H13 | 6.2° | 0.1° |
| H8 | C20 | C21 | H9 | 0.2° | 0.0° |
| H8 | C20 | C19 | H15 | 0.9° | 0.3° |
| H9 | C21 | C22 | H10 | 0.3° | 0.1° |
| H10 | C22 | C23 | H16 | 1.0° | 0.0° |
| H11 | C1 | C2 | H12 | 0.8° | 0.2° |
