0W4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | N9 | sing | 1.47Å | 1.46Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| N9 | C7 | sing | 1.35Å | 1.34Å | |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | O8 | doub | 1.22Å | 1.23Å | |
| C7 | C2 | sing | 1.48Å | 1.50Å | |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | CL2 | sing | 1.74Å | 1.73Å | |
| N1 | C2 | doub | 1.33Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| N10 | C3 | sing | 1.38Å | 1.34Å | |
| N10 | C11 | sing | 1.46Å | 1.45Å | |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | N4 | doub | 1.33Å | 1.34Å | Aromatic |
| C13 | CL1 | sing | 1.74Å | 1.73Å | |
| C5 | N4 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | H1 | sing | 1.09Å | 1.10Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| N10 | H15 | sing | 0.97Å | 1.00Å | |
| N9 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | C20 | 121.3° | 120.0° |
| C25 | C24 | C23 | 120.2° | 120.0° |
| C25 | C24 | H13 | 119.9° | 120.0° |
| C24 | C25 | H14 | 119.4° | 120.0° |
| C25 | C20 | C19 | 121.5° | 120.0° |
| C25 | C20 | C21 | 117.1° | 120.0° |
| C20 | C25 | H14 | 119.3° | 120.0° |
| C24 | C23 | C22 | 120.0° | 120.0° |
| C24 | C23 | H12 | 120.0° | 120.0° |
| C23 | C24 | H13 | 119.9° | 120.0° |
| C20 | C19 | N9 | 113.1° | 109.5° |
| C19 | C20 | C21 | 121.3° | 120.0° |
| C20 | C19 | H1 | 108.6° | 109.5° |
| C20 | C19 | H2 | 108.6° | 109.5° |
| C19 | N9 | C7 | 122.1° | 120.0° |
| N9 | C19 | H1 | 108.5° | 109.4° |
| N9 | C19 | H2 | 108.6° | 109.5° |
| C19 | N9 | H16 | 119.0° | 120.0° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C16 | C15 | C14 | 120.0° | 120.0° |
| C15 | C16 | H8 | 119.9° | 120.0° |
| C16 | C15 | H9 | 120.0° | 120.0° |
| C16 | C17 | C12 | 121.3° | 120.0° |
| C16 | C17 | H7 | 119.3° | 120.0° |
| C17 | C16 | H8 | 119.9° | 120.0° |
| C20 | C21 | C22 | 122.1° | 120.0° |
| C20 | C21 | CL2 | 119.7° | 120.0° |
| N9 | C7 | O8 | 123.1° | 120.0° |
| N9 | C7 | C2 | 115.3° | 120.0° |
| C7 | N9 | H16 | 118.9° | 120.0° |
| C15 | C14 | C13 | 119.2° | 120.0° |
| C14 | C15 | H9 | 120.0° | 120.0° |
| C15 | C14 | H10 | 120.4° | 120.0° |
| C23 | C22 | C21 | 119.3° | 120.0° |
| C23 | C22 | H11 | 120.4° | 120.0° |
| C22 | C23 | H12 | 120.0° | 120.0° |
| C17 | C12 | C13 | 117.1° | 120.0° |
| C17 | C12 | C11 | 121.5° | 120.0° |
| C12 | C17 | H7 | 119.4° | 120.0° |
| O8 | C7 | C2 | 121.6° | 120.0° |
| C7 | C2 | N1 | 115.7° | 120.2° |
| C7 | C2 | C3 | 122.7° | 120.1° |
| C22 | C21 | CL2 | 118.2° | 120.0° |
| C21 | C22 | H11 | 120.4° | 120.0° |
| C2 | N1 | C6 | 116.2° | 120.0° |
| N1 | C2 | C3 | 121.5° | 119.7° |
| N1 | C6 | C5 | 122.1° | 120.3° |
| N1 | C6 | H3 | 118.9° | 119.9° |
| C2 | C3 | N10 | 119.6° | 120.2° |
| C2 | C3 | N4 | 122.0° | 119.6° |
| C14 | C13 | C12 | 122.2° | 120.0° |
| C14 | C13 | CL1 | 118.1° | 120.0° |
| C13 | C14 | H10 | 120.4° | 120.1° |
| C13 | C12 | C11 | 121.4° | 120.0° |
| C12 | C13 | CL1 | 119.7° | 120.0° |
| C12 | C11 | N10 | 113.1° | 109.5° |
| C12 | C11 | H5 | 108.6° | 109.5° |
| C12 | C11 | H6 | 108.5° | 109.5° |
| C3 | N10 | C11 | 123.1° | 120.0° |
| N10 | C3 | N4 | 118.4° | 120.2° |
| C3 | N10 | H15 | 105.9° | 120.0° |
| N10 | C11 | H5 | 108.5° | 109.5° |
| N10 | C11 | H6 | 108.6° | 109.5° |
| C11 | N10 | H15 | 106.0° | 120.0° |
| C6 | C5 | N4 | 122.3° | 120.3° |
| C5 | C6 | H3 | 119.0° | 119.8° |
| C6 | C5 | H4 | 118.8° | 119.9° |
| C3 | N4 | C5 | 115.8° | 120.0° |
| N4 | C5 | H4 | 118.9° | 119.8° |
| H1 | C19 | H2 | 109.5° | 109.4° |
| H5 | C11 | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | C20 | H14 | 180.0° | 179.5° |
| C25 | C24 | C23 | H13 | 180.0° | 179.7° |
| C24 | C25 | C20 | C19 | 179.9° | 179.8° |
| C24 | C25 | C20 | C21 | 0.0° | 0.5° |
| C25 | C24 | C23 | C22 | 0.1° | 0.3° |
| C25 | C24 | C23 | H12 | 179.9° | 179.7° |
| C20 | C25 | C24 | C23 | 0.1° | 0.5° |
| C25 | C20 | C19 | C21 | 179.9° | 179.7° |
| C25 | C20 | C19 | N9 | 88.4° | 100.3° |
| C25 | C20 | C21 | C22 | 0.1° | 0.3° |
| C25 | C20 | C21 | CL2 | 179.6° | 179.8° |
| C25 | C20 | C19 | H1 | 151.1° | 19.7° |
| C25 | C20 | C19 | H2 | 32.2° | 139.7° |
| C20 | C25 | C24 | H13 | 180.0° | 179.7° |
| C24 | C23 | C22 | H12 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.1° | 0.0° |
| C24 | C23 | C22 | H11 | 179.9° | 180.0° |
| C23 | C24 | C25 | H14 | 179.9° | 180.0° |
| C20 | C19 | N9 | H1 | 120.5° | 120.0° |
| C20 | C19 | N9 | H2 | 120.6° | 120.0° |
| C20 | C19 | N9 | C7 | 126.8° | 180.0° |
| C19 | C20 | C21 | C22 | 179.8° | 180.0° |
| C19 | C20 | C21 | CL2 | 0.4° | 0.1° |
| C20 | C19 | H1 | H2 | 118.4° | 120.0° |
| C19 | C20 | C25 | H14 | 0.1° | 0.3° |
| C20 | C19 | N9 | H16 | 53.2° | 0.0° |
| N9 | C19 | C20 | C21 | 91.6° | 80.0° |
| C19 | N9 | C7 | H16 | 180.0° | 180.0° |
| C19 | N9 | C7 | O8 | 8.3° | 0.0° |
| C19 | N9 | C7 | C2 | 171.8° | 180.0° |
| N9 | C19 | H1 | H2 | 118.3° | 120.0° |
| C15 | C16 | C17 | H8 | 180.0° | 180.0° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.0° | 0.0° |
| C16 | C15 | C14 | C13 | 0.0° | 0.0° |
| C15 | C16 | C17 | H7 | 180.0° | 179.9° |
| C16 | C15 | C14 | H10 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C16 | C17 | C12 | H7 | 180.0° | 179.9° |
| C16 | C17 | C12 | C13 | 0.1° | 0.1° |
| C16 | C17 | C12 | C11 | 179.6° | 179.7° |
| C17 | C16 | C15 | H9 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.0° | 0.1° |
| C20 | C21 | C22 | CL2 | 179.7° | 179.9° |
| C21 | C20 | C19 | H1 | 29.0° | 160.0° |
| C21 | C20 | C19 | H2 | 147.9° | 40.0° |
| C20 | C21 | C22 | H11 | 180.0° | 180.0° |
| C21 | C20 | C25 | H14 | 179.9° | 180.0° |
| N9 | C7 | O8 | C2 | 180.0° | 180.0° |
| N9 | C7 | C2 | N1 | 16.6° | 5.5° |
| N9 | C7 | C2 | C3 | 163.0° | 174.5° |
| C7 | N9 | C19 | H1 | 6.3° | 60.0° |
| C7 | N9 | C19 | H2 | 112.6° | 60.0° |
| C15 | C14 | C13 | H10 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.1° |
| C15 | C14 | C13 | CL1 | 179.8° | 179.7° |
| C14 | C15 | C16 | H8 | 179.9° | 180.0° |
| C23 | C22 | C21 | H11 | 180.0° | 179.9° |
| C23 | C22 | C21 | CL2 | 179.7° | 180.0° |
| C22 | C23 | C24 | H13 | 179.9° | 180.0° |
| C17 | C12 | C13 | C14 | 0.2° | 0.1° |
| C17 | C12 | C13 | C11 | 179.7° | 179.7° |
| C17 | C12 | C11 | N10 | 9.2° | 99.7° |
| C17 | C12 | C13 | CL1 | 179.8° | 179.7° |
| C17 | C12 | C11 | H5 | 111.3° | 20.4° |
| C17 | C12 | C11 | H6 | 129.8° | 140.3° |
| C12 | C17 | C16 | H8 | 180.0° | 180.0° |
| O8 | C7 | C2 | N1 | 163.4° | 174.4° |
| O8 | C7 | C2 | C3 | 16.9° | 5.6° |
| O8 | C7 | N9 | H16 | 171.7° | 180.0° |
| C7 | C2 | N1 | C3 | 179.7° | 180.0° |
| C7 | C2 | N1 | C6 | 179.5° | 180.0° |
| C7 | C2 | C3 | N10 | 0.6° | 0.0° |
| C7 | C2 | C3 | N4 | 179.5° | 180.0° |
| C2 | C7 | N9 | H16 | 8.3° | 0.1° |
| C21 | C22 | C23 | H12 | 179.9° | 180.0° |
| CL2 | C21 | C22 | H11 | 0.3° | 0.1° |
| N1 | C2 | C3 | N10 | 179.8° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| N1 | C2 | C3 | N4 | 0.2° | 0.0° |
| C2 | N1 | C6 | H3 | 179.9° | 180.0° |
| C6 | N1 | C2 | C3 | 0.2° | 0.0° |
| N1 | C6 | C5 | H3 | 180.0° | 180.0° |
| N1 | C6 | C5 | N4 | 0.0° | 0.0° |
| N1 | C6 | C5 | H4 | 180.0° | 180.0° |
| C2 | C3 | N10 | N4 | 179.9° | 179.9° |
| C2 | C3 | N10 | C11 | 169.3° | 174.7° |
| C2 | C3 | N4 | C5 | 0.1° | 0.0° |
| C2 | C3 | N10 | H15 | 47.4° | 5.3° |
| C14 | C13 | C12 | CL1 | 179.9° | 179.8° |
| C14 | C13 | C12 | C11 | 179.5° | 179.8° |
| C13 | C14 | C15 | H9 | 179.9° | 180.0° |
| C13 | C12 | C11 | N10 | 170.4° | 80.0° |
| C13 | C12 | C11 | H5 | 69.1° | 160.0° |
| C13 | C12 | C11 | H6 | 49.8° | 40.1° |
| C13 | C12 | C17 | H7 | 179.9° | 179.9° |
| C12 | C13 | C14 | H10 | 179.9° | 180.0° |
| C12 | C11 | N10 | C3 | 118.7° | 180.0° |
| C12 | C11 | N10 | H5 | 120.6° | 120.0° |
| C12 | C11 | N10 | H6 | 120.5° | 120.0° |
| C11 | C12 | C13 | CL1 | 0.6° | 0.1° |
| C12 | C11 | H5 | H6 | 118.3° | 120.0° |
| C11 | C12 | C17 | H7 | 0.4° | 0.4° |
| C12 | C11 | N10 | H15 | 119.4° | 0.0° |
| C3 | N10 | C11 | H15 | 121.8° | 180.0° |
| N10 | C3 | N4 | C5 | 179.8° | 180.0° |
| C3 | N10 | C11 | H5 | 120.7° | 60.0° |
| C3 | N10 | C11 | H6 | 1.8° | 60.0° |
| C11 | N10 | C3 | N4 | 10.6° | 5.4° |
| N10 | C11 | H5 | H6 | 118.3° | 120.0° |
| C6 | C5 | N4 | C3 | 0.0° | 0.0° |
| C6 | C5 | N4 | H4 | 180.0° | 180.0° |
| C3 | N4 | C5 | H4 | 180.0° | 179.9° |
| N4 | C3 | N10 | H15 | 132.5° | 174.6° |
| CL1 | C13 | C14 | H10 | 0.2° | 0.2° |
| N4 | C5 | C6 | H3 | 180.0° | 180.0° |
| H1 | C19 | N9 | H16 | 173.7° | 120.0° |
| H2 | C19 | N9 | H16 | 67.4° | 120.0° |
| H3 | C6 | C5 | H4 | 0.0° | 0.0° |
| H5 | C11 | N10 | H15 | 1.1° | 120.0° |
| H6 | C11 | N10 | H15 | 120.0° | 120.0° |
| H7 | C17 | C16 | H8 | 0.1° | 0.1° |
| H8 | C16 | C15 | H9 | 0.0° | 0.0° |
| H9 | C15 | C14 | H10 | 0.0° | 0.0° |
| H11 | C22 | C23 | H12 | 0.1° | 0.0° |
| H12 | C23 | C24 | H13 | 0.1° | 0.0° |
| H13 | C24 | C25 | H14 | 0.0° | 0.2° |
