2W8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | N27 | sing | 1.22Å | 1.22Å | |
| N27 | O28 | doub | 1.22Å | 1.22Å | |
| N27 | C26 | sing | 1.48Å | 1.36Å | |
| C24 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C1 | sing | 1.48Å | 1.49Å | |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.54Å | |
| O14 | C11 | doub | 1.21Å | 1.34Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C11 | O12 | sing | 1.34Å | 1.22Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| O12 | H9 | sing | 0.97Å | 0.95Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C30 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O29 | N27 | O28 | 123.8° | 120.0° |
| O29 | N27 | C26 | 118.7° | 120.0° |
| O28 | N27 | C26 | 117.5° | 120.0° |
| N27 | C26 | C24 | 121.3° | 119.9° |
| N27 | C26 | C30 | 119.9° | 120.0° |
| C26 | C24 | C22 | 120.4° | 120.2° |
| C24 | C26 | C30 | 118.8° | 120.1° |
| C26 | C24 | H12 | 119.8° | 119.9° |
| C24 | C22 | C20 | 120.1° | 120.1° |
| C24 | C22 | H11 | 119.9° | 119.9° |
| C22 | C24 | H12 | 119.8° | 119.9° |
| C26 | C30 | C19 | 121.0° | 119.9° |
| C26 | C30 | H13 | 119.5° | 120.0° |
| C22 | C20 | C19 | 120.0° | 119.9° |
| C22 | C20 | H10 | 120.0° | 120.1° |
| C20 | C22 | H11 | 119.9° | 120.0° |
| C30 | C19 | C20 | 119.6° | 119.8° |
| C30 | C19 | C1 | 119.8° | 120.1° |
| C19 | C30 | H13 | 119.5° | 120.1° |
| C20 | C19 | C1 | 120.6° | 120.1° |
| C19 | C20 | H10 | 120.0° | 120.0° |
| C19 | C1 | C2 | 120.4° | 120.1° |
| C19 | C1 | C7 | 120.0° | 120.2° |
| C2 | C1 | C7 | 119.6° | 119.7° |
| C1 | C2 | C3 | 120.2° | 119.8° |
| C1 | C2 | H1 | 119.9° | 120.0° |
| C1 | C7 | C6 | 120.5° | 119.9° |
| C1 | C7 | H4 | 119.8° | 120.1° |
| C2 | C3 | C5 | 119.8° | 120.2° |
| C3 | C2 | H1 | 119.9° | 120.1° |
| C2 | C3 | H2 | 120.1° | 119.9° |
| C7 | C6 | C5 | 119.4° | 120.2° |
| C7 | C6 | C9 | 120.1° | 119.9° |
| C6 | C7 | H4 | 119.7° | 120.1° |
| C3 | C5 | C6 | 120.4° | 120.2° |
| C5 | C3 | H2 | 120.1° | 119.9° |
| C3 | C5 | H3 | 119.8° | 119.9° |
| C5 | C6 | C9 | 120.5° | 119.9° |
| C6 | C5 | H3 | 119.8° | 119.9° |
| C6 | C9 | C10 | 109.6° | 109.4° |
| C6 | C9 | H5 | 109.4° | 109.5° |
| C6 | C9 | H6 | 109.4° | 109.5° |
| O14 | C11 | C10 | 117.6° | 120.1° |
| O14 | C11 | O12 | 122.5° | 120.0° |
| C9 | C10 | C11 | 112.0° | 109.4° |
| C10 | C9 | H5 | 109.4° | 109.5° |
| C10 | C9 | H6 | 109.5° | 109.4° |
| C9 | C10 | H7 | 108.9° | 109.5° |
| C9 | C10 | H8 | 108.8° | 109.4° |
| C10 | C11 | O12 | 119.9° | 120.0° |
| C11 | C10 | H7 | 108.9° | 109.5° |
| C11 | C10 | H8 | 108.9° | 109.5° |
| C11 | O12 | H9 | 109.5° | 117.0° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | N27 | O28 | C26 | 179.5° | 179.9° |
| O29 | N27 | C26 | C24 | 13.4° | 180.0° |
| O29 | N27 | C26 | C30 | 165.8° | 0.2° |
| O28 | N27 | C26 | C24 | 167.1° | 0.1° |
| O28 | N27 | C26 | C30 | 13.8° | 179.7° |
| N27 | C26 | C24 | C30 | 179.1° | 179.8° |
| N27 | C26 | C24 | C22 | 179.4° | 180.0° |
| N27 | C26 | C30 | C19 | 179.7° | 179.8° |
| N27 | C26 | C24 | H12 | 0.6° | 0.2° |
| N27 | C26 | C30 | H13 | 0.3° | 0.1° |
| C26 | C24 | C22 | H12 | 180.0° | 179.8° |
| C26 | C24 | C22 | C20 | 0.1° | 0.0° |
| C24 | C26 | C30 | C19 | 0.5° | 0.4° |
| C26 | C24 | C22 | H11 | 179.9° | 180.0° |
| C24 | C26 | C30 | H13 | 179.4° | 179.9° |
| C22 | C24 | C26 | C30 | 0.3° | 0.2° |
| C24 | C22 | C20 | H11 | 180.0° | 180.0° |
| C24 | C22 | C20 | C19 | 0.3° | 0.0° |
| C24 | C22 | C20 | H10 | 179.7° | 180.0° |
| C26 | C30 | C19 | H13 | 180.0° | 179.7° |
| C26 | C30 | C19 | C20 | 0.3° | 0.4° |
| C26 | C30 | C19 | C1 | 179.5° | 179.8° |
| C30 | C26 | C24 | H12 | 179.7° | 179.9° |
| C22 | C20 | C19 | C30 | 0.1° | 0.2° |
| C22 | C20 | C19 | H10 | 180.0° | 180.0° |
| C22 | C20 | C19 | C1 | 179.0° | 180.0° |
| C20 | C22 | C24 | H12 | 179.9° | 179.7° |
| C30 | C19 | C20 | C1 | 179.1° | 179.8° |
| C30 | C19 | C1 | C2 | 13.1° | 0.2° |
| C30 | C19 | C1 | C7 | 165.2° | 179.5° |
| C30 | C19 | C20 | H10 | 179.9° | 179.8° |
| C20 | C19 | C1 | C2 | 167.8° | 180.0° |
| C20 | C19 | C1 | C7 | 13.9° | 0.3° |
| C19 | C20 | C22 | H11 | 179.6° | 180.0° |
| C20 | C19 | C30 | H13 | 179.7° | 179.9° |
| C19 | C1 | C2 | C7 | 178.3° | 179.7° |
| C19 | C1 | C2 | C3 | 179.4° | 179.7° |
| C19 | C1 | C7 | C6 | 179.5° | 179.7° |
| C19 | C1 | C2 | H1 | 0.6° | 0.3° |
| C19 | C1 | C7 | H4 | 0.4° | 0.2° |
| C1 | C19 | C20 | H10 | 1.0° | 0.0° |
| C1 | C19 | C30 | H13 | 0.5° | 0.2° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C2 | C1 | C7 | C6 | 1.2° | 0.0° |
| C1 | C2 | C3 | C5 | 0.5° | 0.0° |
| C1 | C2 | C3 | H2 | 179.5° | 180.0° |
| C2 | C1 | C7 | H4 | 178.7° | 179.9° |
| C7 | C1 | C2 | C3 | 1.1° | 0.0° |
| C1 | C7 | C6 | H4 | 180.0° | 180.0° |
| C1 | C7 | C6 | C5 | 0.8° | 0.0° |
| C1 | C7 | C6 | C9 | 179.5° | 180.0° |
| C7 | C1 | C2 | H1 | 178.9° | 179.9° |
| C2 | C3 | C5 | H2 | 180.0° | 180.0° |
| C2 | C3 | C5 | C6 | 0.0° | 0.0° |
| C2 | C3 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | C3 | 0.2° | 0.0° |
| C7 | C6 | C5 | C9 | 179.7° | 179.9° |
| C7 | C6 | C9 | C10 | 103.0° | 90.0° |
| C7 | C6 | C5 | H3 | 179.8° | 180.0° |
| C7 | C6 | C9 | H5 | 17.0° | 30.0° |
| C7 | C6 | C9 | H6 | 137.0° | 150.0° |
| C3 | C5 | C6 | H3 | 180.0° | 179.9° |
| C3 | C5 | C6 | C9 | 179.9° | 180.0° |
| C5 | C3 | C2 | H1 | 179.5° | 179.9° |
| C5 | C6 | C9 | C10 | 76.7° | 90.0° |
| C6 | C5 | C3 | H2 | 179.9° | 180.0° |
| C5 | C6 | C7 | H4 | 179.2° | 180.0° |
| C5 | C6 | C9 | H5 | 163.3° | 150.0° |
| C5 | C6 | C9 | H6 | 43.3° | 29.9° |
| C6 | C9 | C10 | H5 | 120.0° | 120.0° |
| C6 | C9 | C10 | H6 | 120.0° | 120.0° |
| C6 | C9 | C10 | C11 | 85.4° | 180.0° |
| C9 | C6 | C5 | H3 | 0.1° | 0.1° |
| C9 | C6 | C7 | H4 | 0.5° | 0.1° |
| C6 | C9 | H5 | H6 | 119.9° | 120.0° |
| C6 | C9 | C10 | H7 | 154.2° | 60.0° |
| C6 | C9 | C10 | H8 | 35.0° | 60.0° |
| O14 | C11 | C10 | C9 | 17.9° | 0.0° |
| O14 | C11 | C10 | O12 | 179.9° | 180.0° |
| O14 | C11 | C10 | H7 | 138.3° | 120.0° |
| O14 | C11 | C10 | H8 | 102.4° | 119.9° |
| O14 | C11 | O12 | H9 | 0.0° | 0.1° |
| C9 | C10 | C11 | H7 | 120.4° | 120.0° |
| C9 | C10 | C11 | H8 | 120.4° | 120.0° |
| C9 | C10 | C11 | O12 | 162.2° | 180.0° |
| C10 | C9 | H5 | H6 | 120.0° | 120.0° |
| C9 | C10 | H7 | H8 | 118.9° | 120.0° |
| C11 | C10 | C9 | H5 | 34.6° | 60.0° |
| C11 | C10 | C9 | H6 | 154.6° | 60.0° |
| C11 | C10 | H7 | H8 | 118.9° | 120.1° |
| C10 | C11 | O12 | H9 | 179.9° | 180.0° |
| O12 | C11 | C10 | H7 | 41.8° | 60.1° |
| O12 | C11 | C10 | H8 | 77.5° | 60.0° |
| H1 | C2 | C3 | H2 | 0.5° | 0.1° |
| H2 | C3 | C5 | H3 | 0.1° | 0.0° |
| H5 | C9 | C10 | H7 | 85.8° | NaN° |
| H5 | C9 | C10 | H8 | 155.0° | 60.0° |
| H6 | C9 | C10 | H7 | 34.2° | 60.0° |
| H6 | C9 | C10 | H8 | 85.0° | 180.0° |
| H10 | C20 | C22 | H11 | 0.3° | 0.0° |
| H11 | C22 | C24 | H12 | 0.2° | 0.3° |
