W5W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C20 | sing | 1.36Å | 1.35Å | |
| C22 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.36Å | 1.37Å | Aromatic |
| C20 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C25 | sing | 1.40Å | 1.43Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C25 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.47Å | 1.49Å | |
| C17 | O16 | sing | 1.35Å | 1.34Å | |
| O27 | C26 | doub | 1.21Å | 1.21Å | |
| C26 | O11 | sing | 1.36Å | 1.36Å | |
| O16 | C8 | sing | 1.41Å | 1.42Å | |
| C8 | C10 | sing | 1.50Å | 1.50Å | |
| C8 | C4 | sing | 1.53Å | 1.55Å | |
| O11 | C10 | sing | 1.36Å | 1.36Å | |
| O5 | C6 | sing | 1.43Å | 1.44Å | |
| O5 | C4 | sing | 1.43Å | 1.45Å | |
| C10 | C12 | doub | 1.34Å | 1.36Å | |
| C4 | C2 | sing | 1.53Å | 1.56Å | |
| C4 | C7 | sing | 1.53Å | 1.55Å | |
| C12 | C14 | sing | 1.40Å | 1.41Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C2 | C14 | sing | 1.51Å | 1.52Å | |
| C2 | O1 | sing | 1.43Å | 1.44Å | |
| C14 | O15 | doub | 1.21Å | 1.22Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| O1 | H16 | sing | 0.97Å | 0.95Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C20 | C22 | 117.5° | 119.9° |
| O21 | C20 | C18 | 122.4° | 119.9° |
| C20 | O21 | H21 | 109.5° | 113.9° |
| C20 | C22 | C23 | 120.8° | 120.1° |
| C22 | C20 | C18 | 120.2° | 120.2° |
| C20 | C22 | H22 | 119.6° | 119.9° |
| C22 | C23 | C24 | 113.8° | 119.8° |
| C22 | C23 | C25 | 120.9° | 120.3° |
| C23 | C22 | H22 | 119.6° | 119.9° |
| C20 | C18 | C19 | 120.9° | 119.9° |
| C20 | C18 | C17 | 119.5° | 120.3° |
| C24 | C23 | C25 | 125.2° | 119.9° |
| C23 | C24 | H13 | 109.5° | 109.5° |
| C23 | C24 | H14 | 109.4° | 109.5° |
| C23 | C24 | H15 | 109.5° | 109.5° |
| C23 | C25 | C17 | 117.5° | 119.9° |
| C23 | C25 | C26 | 121.5° | 118.3° |
| C19 | C18 | C17 | 119.5° | 119.8° |
| C18 | C19 | H10 | 109.5° | 109.5° |
| C18 | C19 | H11 | 109.5° | 109.5° |
| C18 | C19 | H12 | 109.5° | 109.5° |
| C18 | C17 | C25 | 121.0° | 119.1° |
| C18 | C17 | O16 | 118.2° | 118.0° |
| C17 | C25 | C26 | 120.9° | 121.8° |
| C25 | C17 | O16 | 120.6° | 122.9° |
| C25 | C26 | O27 | 119.1° | 120.9° |
| C25 | C26 | O11 | 128.7° | 118.1° |
| C17 | O16 | C8 | 118.4° | 123.4° |
| O27 | C26 | O11 | 111.9° | 121.0° |
| C26 | O11 | C10 | 129.7° | 112.9° |
| O16 | C8 | C10 | 110.2° | 112.5° |
| O16 | C8 | C4 | 113.0° | 110.8° |
| O16 | C8 | H8 | 107.7° | 107.4° |
| C10 | C8 | C4 | 112.5° | 110.0° |
| C8 | C10 | O11 | 121.7° | 118.6° |
| C8 | C10 | C12 | 122.0° | 121.7° |
| C10 | C8 | H8 | 106.8° | 108.0° |
| C8 | C4 | O5 | 104.8° | 109.5° |
| C8 | C4 | C2 | 110.0° | 109.1° |
| C8 | C4 | C7 | 109.1° | 109.6° |
| C4 | C8 | H8 | 106.3° | 108.0° |
| O11 | C10 | C12 | 115.8° | 119.6° |
| C6 | O5 | C4 | 123.0° | 114.0° |
| O5 | C6 | H2 | 109.5° | 109.5° |
| O5 | C6 | H3 | 109.4° | 109.5° |
| O5 | C6 | H4 | 109.5° | 109.5° |
| O5 | C4 | C2 | 109.3° | 109.5° |
| O5 | C4 | C7 | 111.9° | 109.6° |
| C10 | C12 | C14 | 119.5° | 121.5° |
| C10 | C12 | C13 | 119.3° | 119.2° |
| C2 | C4 | C7 | 111.5° | 109.5° |
| C4 | C2 | C14 | 112.6° | 109.1° |
| C4 | C2 | O1 | 113.4° | 109.5° |
| C4 | C2 | H1 | 107.2° | 109.6° |
| C4 | C7 | H5 | 109.5° | 109.5° |
| C4 | C7 | H6 | 109.5° | 109.4° |
| C4 | C7 | H7 | 109.5° | 109.5° |
| C14 | C12 | C13 | 120.6° | 119.3° |
| C12 | C14 | C2 | 121.7° | 120.4° |
| C12 | C14 | O15 | 120.1° | 119.8° |
| C12 | C13 | H18 | 109.5° | 109.4° |
| C12 | C13 | H19 | 109.5° | 109.4° |
| C12 | C13 | H20 | 109.4° | 109.5° |
| C14 | C2 | O1 | 107.0° | 109.5° |
| C2 | C14 | O15 | 118.2° | 119.8° |
| C14 | C2 | H1 | 107.7° | 109.6° |
| O1 | C2 | H1 | 108.7° | 109.5° |
| C2 | O1 | H16 | 109.5° | 114.0° |
| H2 | C6 | H3 | 109.5° | 109.4° |
| H2 | C6 | H4 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.4° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H5 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.4° | 109.4° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H10 | C19 | H12 | 109.4° | 109.4° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.4° |
| H13 | C24 | H15 | 109.5° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H18 | C13 | H20 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C20 | C22 | C18 | 179.5° | 179.9° |
| O21 | C20 | C22 | C23 | 180.0° | 178.4° |
| O21 | C20 | C18 | C19 | 0.2° | 0.2° |
| O21 | C20 | C18 | C17 | 179.3° | 179.8° |
| O21 | C20 | C22 | H22 | 0.0° | 1.5° |
| C20 | C22 | C23 | H22 | 180.0° | 179.9° |
| C20 | C22 | C23 | C24 | 179.7° | 180.0° |
| C20 | C22 | C23 | C25 | 1.4° | 0.1° |
| C22 | C20 | C18 | C19 | 179.6° | 179.7° |
| C22 | C20 | C18 | C17 | 1.2° | 0.3° |
| C22 | C20 | O21 | H21 | 180.0° | 90.1° |
| C23 | C22 | C20 | C18 | 0.6° | 1.7° |
| C22 | C23 | C24 | C25 | 178.2° | 180.0° |
| C22 | C23 | C25 | C17 | 2.9° | 3.2° |
| C22 | C23 | C25 | C26 | 177.8° | 174.2° |
| C22 | C23 | C24 | H13 | 90.7° | 90.0° |
| C22 | C23 | C24 | H14 | 149.3° | 30.0° |
| C22 | C23 | C24 | H15 | 29.3° | 150.0° |
| C20 | C18 | C19 | C17 | 179.1° | 180.0° |
| C20 | C18 | C17 | C25 | 2.8° | 2.8° |
| C20 | C18 | C17 | O16 | 177.9° | 176.5° |
| C20 | C18 | C19 | H10 | 90.4° | 90.0° |
| C20 | C18 | C19 | H11 | 149.6° | 30.0° |
| C20 | C18 | C19 | H12 | 29.5° | 150.0° |
| C18 | C20 | O21 | H21 | 0.5° | 90.0° |
| C18 | C20 | C22 | H22 | 179.5° | 178.4° |
| C24 | C23 | C25 | C17 | 179.0° | 176.8° |
| C24 | C23 | C25 | C26 | 4.1° | 5.7° |
| C23 | C24 | H13 | H14 | 120.0° | 120.0° |
| C23 | C24 | H13 | H15 | 120.0° | 120.0° |
| C23 | C24 | H14 | H15 | 120.0° | 120.1° |
| C24 | C23 | C22 | H22 | 0.3° | 0.1° |
| C23 | C25 | C17 | C18 | 3.6° | 4.5° |
| C23 | C25 | C17 | C26 | 174.9° | 177.3° |
| C23 | C25 | C17 | O16 | 178.6° | 174.8° |
| C23 | C25 | C26 | O27 | 27.6° | 63.8° |
| C23 | C25 | C26 | O11 | 159.7° | 116.3° |
| C25 | C23 | C24 | H13 | 91.1° | 90.0° |
| C25 | C23 | C24 | H14 | 28.9° | 150.0° |
| C25 | C23 | C24 | H15 | 148.9° | 30.0° |
| C25 | C23 | C22 | H22 | 178.6° | 179.9° |
| C19 | C18 | C17 | C25 | 178.1° | 177.2° |
| C19 | C18 | C17 | O16 | 2.9° | 3.5° |
| C18 | C19 | H10 | H11 | 120.0° | 120.0° |
| C18 | C19 | H10 | H12 | 120.0° | 120.0° |
| C18 | C19 | H11 | H12 | 120.0° | 120.0° |
| C18 | C17 | C25 | O16 | 175.0° | 179.3° |
| C18 | C17 | C25 | C26 | 178.5° | 172.8° |
| C18 | C17 | O16 | C8 | 114.7° | 158.1° |
| C17 | C18 | C19 | H10 | 90.4° | 90.0° |
| C17 | C18 | C19 | H11 | 29.6° | 150.0° |
| C17 | C18 | C19 | H12 | 149.6° | 30.0° |
| C17 | C25 | C26 | O27 | 147.1° | 118.9° |
| C17 | C25 | C26 | O11 | 25.5° | 61.1° |
| C25 | C17 | O16 | C8 | 60.5° | 22.7° |
| C26 | C25 | C17 | O16 | 6.5° | 7.9° |
| C25 | C26 | O27 | O11 | 173.8° | 180.0° |
| C25 | C26 | O11 | C10 | 6.8° | 53.5° |
| C17 | O16 | C8 | C10 | 87.9° | 34.1° |
| C17 | O16 | C8 | C4 | 145.4° | 157.7° |
| C17 | O16 | C8 | H8 | 28.3° | 84.6° |
| O27 | C26 | O11 | C10 | 179.9° | 126.5° |
| C26 | O11 | C10 | C8 | 10.6° | 28.1° |
| C26 | O11 | C10 | C12 | 161.2° | 151.2° |
| O16 | C8 | C10 | C4 | 127.1° | 124.0° |
| O16 | C8 | C10 | H8 | 116.8° | 118.4° |
| O16 | C8 | C4 | H8 | 117.9° | 117.3° |
| O16 | C8 | C10 | O11 | 37.4° | 82.6° |
| O16 | C8 | C4 | O5 | 66.9° | 170.8° |
| O16 | C8 | C10 | C12 | 151.3° | 96.6° |
| O16 | C8 | C4 | C2 | 175.7° | 69.4° |
| O16 | C8 | C4 | C7 | 53.1° | 50.6° |
| C10 | C8 | C4 | H8 | 116.5° | 117.7° |
| C8 | C10 | O11 | C12 | 171.8° | 179.3° |
| C10 | C8 | C4 | O5 | 167.5° | 64.2° |
| C10 | C8 | C4 | C2 | 50.1° | 55.6° |
| C10 | C8 | C4 | C7 | 72.5° | 175.6° |
| C8 | C10 | C12 | C14 | 13.2° | 0.9° |
| C8 | C10 | C12 | C13 | 175.3° | 179.2° |
| C4 | C8 | C10 | O11 | 164.4° | 153.3° |
| C8 | C4 | O5 | C6 | 177.4° | 179.6° |
| C8 | C4 | O5 | C2 | 117.8° | 119.6° |
| C8 | C4 | O5 | C7 | 118.1° | 120.2° |
| C4 | C8 | C10 | C12 | 24.2° | 27.4° |
| C8 | C4 | C2 | C7 | 121.2° | 119.9° |
| C8 | C4 | C2 | C14 | 41.3° | 56.6° |
| C8 | C4 | C2 | O1 | 163.1° | 63.2° |
| C8 | C4 | C2 | H1 | 77.0° | 176.6° |
| C8 | C4 | C7 | H5 | 180.0° | 59.6° |
| C8 | C4 | C7 | H6 | 60.0° | 60.4° |
| C8 | C4 | C7 | H7 | 60.0° | 179.7° |
| O11 | C10 | C12 | C14 | 158.6° | 178.4° |
| O11 | C10 | C12 | C13 | 12.8° | 1.5° |
| O11 | C10 | C8 | H8 | 79.4° | 35.7° |
| C6 | O5 | C4 | C2 | 64.8° | 60.0° |
| C6 | O5 | C4 | C7 | 59.3° | 60.1° |
| O5 | C6 | H2 | H3 | 120.0° | 120.0° |
| O5 | C6 | H2 | H4 | 120.0° | 120.0° |
| O5 | C6 | H3 | H4 | 120.0° | 120.0° |
| O5 | C4 | C2 | C7 | 124.3° | 120.2° |
| O5 | C4 | C2 | C14 | 155.9° | 63.2° |
| O5 | C4 | C2 | O1 | 82.4° | 176.9° |
| O5 | C4 | C2 | H1 | 37.6° | 56.7° |
| C4 | O5 | C6 | H2 | 180.0° | 60.0° |
| C4 | O5 | C6 | H3 | 60.0° | 179.9° |
| C4 | O5 | C6 | H4 | 60.0° | 60.0° |
| O5 | C4 | C7 | H5 | 64.5° | 179.8° |
| O5 | C4 | C7 | H6 | 175.5° | 59.9° |
| O5 | C4 | C7 | H7 | 55.5° | 60.1° |
| O5 | C4 | C8 | H8 | 51.0° | 53.4° |
| C10 | C12 | C14 | C13 | 171.3° | 180.0° |
| C10 | C12 | C14 | C2 | 22.7° | 0.7° |
| C10 | C12 | C14 | O15 | 155.6° | 179.2° |
| C12 | C10 | C8 | H8 | 91.9° | 145.0° |
| C10 | C12 | C13 | H18 | 180.0° | 180.0° |
| C10 | C12 | C13 | H19 | 60.0° | 60.1° |
| C10 | C12 | C13 | H20 | 60.0° | 60.0° |
| C4 | C2 | C14 | C12 | 6.5° | 30.1° |
| C4 | C2 | C14 | O1 | 125.3° | 119.8° |
| C4 | C2 | C14 | H1 | 118.0° | 120.0° |
| C4 | C2 | O1 | H1 | 119.1° | 120.3° |
| C4 | C2 | C14 | O15 | 175.2° | 149.8° |
| C2 | C4 | C7 | H5 | 58.3° | 60.1° |
| C2 | C4 | C7 | H6 | 61.7° | 180.0° |
| C2 | C4 | C7 | H7 | 178.3° | 60.0° |
| C2 | C4 | C8 | H8 | 66.4° | 173.3° |
| C4 | C2 | O1 | H16 | 145.3° | 179.6° |
| C7 | C4 | C2 | C14 | 79.9° | 176.6° |
| C7 | C4 | C2 | O1 | 41.9° | 56.7° |
| C7 | C4 | C2 | H1 | 161.8° | 63.5° |
| C4 | C7 | H5 | H6 | 120.0° | 119.9° |
| C4 | C7 | H5 | H7 | 120.0° | 120.1° |
| C4 | C7 | H6 | H7 | 120.0° | 120.0° |
| C7 | C4 | C8 | H8 | 171.0° | 66.8° |
| C12 | C14 | C2 | O15 | 178.3° | 180.0° |
| C12 | C14 | C2 | O1 | 131.8° | 89.7° |
| C12 | C14 | C2 | H1 | 111.5° | 150.1° |
| C14 | C12 | C13 | H18 | 8.7° | 0.0° |
| C14 | C12 | C13 | H19 | 111.3° | 120.0° |
| C14 | C12 | C13 | H20 | 128.7° | 120.0° |
| C13 | C12 | C14 | C2 | 166.0° | 179.2° |
| C13 | C12 | C14 | O15 | 15.7° | 0.8° |
| C12 | C13 | H18 | H19 | 120.0° | 119.9° |
| C12 | C13 | H18 | H20 | 120.0° | 120.0° |
| C12 | C13 | H19 | H20 | 120.0° | 120.0° |
| C14 | C2 | O1 | H1 | 116.1° | 120.2° |
| C14 | C2 | O1 | H16 | 20.4° | 60.0° |
| O1 | C2 | C14 | O15 | 49.9° | 90.3° |
| O15 | C14 | C2 | H1 | 66.8° | 29.8° |
| H1 | C2 | O1 | H16 | 95.6° | 60.2° |
| H2 | C6 | H3 | H4 | 120.0° | 120.0° |
| H5 | C7 | H6 | H7 | 120.0° | 120.0° |
| H10 | C19 | H11 | H12 | 120.0° | 120.0° |
| H13 | C24 | H14 | H15 | 120.0° | 120.0° |
| H18 | C13 | H19 | H20 | 120.0° | 120.1° |
