W9L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.35Å | 1.42Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C1 | N2 | sing | 1.35Å | 1.41Å | |
| N1 | C2 | sing | 1.40Å | 1.44Å | |
| C2 | C3 | doub | 1.41Å | 1.46Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| N2 | C8 | sing | 1.47Å | 1.48Å | |
| C3 | C4 | sing | 1.42Å | 1.44Å | Aromatic |
| C3 | C40 | sing | 1.40Å | 1.44Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.43Å | Aromatic |
| C4 | C80 | sing | 1.41Å | 1.44Å | Aromatic |
| C5 | C6 | sing | 1.36Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.43Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C11 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
| C11 | C80 | doub | 1.36Å | 1.38Å | Aromatic |
| C12 | C40 | doub | 1.36Å | 1.39Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C80 | H80 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | O1 | 122.9° | 120.0° |
| N1 | C1 | N2 | 114.9° | 120.0° |
| C1 | N1 | C2 | 125.6° | 120.0° |
| C1 | N1 | HN1 | 117.2° | 120.0° |
| O1 | C1 | N2 | 122.3° | 120.0° |
| C1 | N2 | C8 | 122.1° | 120.0° |
| C1 | N2 | HN2 | 118.9° | 120.0° |
| N1 | C2 | C3 | 119.8° | 120.3° |
| N1 | C2 | C7 | 120.3° | 120.3° |
| C2 | N1 | HN1 | 117.2° | 120.0° |
| C3 | C2 | C7 | 119.8° | 119.4° |
| C2 | C3 | C4 | 117.9° | 119.3° |
| C2 | C3 | C40 | 124.1° | 121.3° |
| C2 | C7 | C6 | 120.8° | 120.7° |
| C2 | C7 | H7 | 119.6° | 119.6° |
| N2 | C8 | C9 | 110.2° | 109.5° |
| C8 | N2 | HN2 | 119.0° | 120.0° |
| N2 | C8 | H8 | 109.3° | 109.5° |
| N2 | C8 | H8A | 109.3° | 109.5° |
| C4 | C3 | C40 | 118.0° | 119.4° |
| C3 | C4 | C5 | 120.3° | 119.5° |
| C3 | C4 | C80 | 120.0° | 119.3° |
| C3 | C40 | C12 | 120.6° | 119.7° |
| C3 | C40 | H40 | 119.7° | 120.2° |
| C5 | C4 | C80 | 119.7° | 121.2° |
| C4 | C5 | C6 | 120.3° | 119.9° |
| C4 | C5 | H5 | 119.8° | 120.0° |
| C4 | C80 | C11 | 120.4° | 119.7° |
| C4 | C80 | H80 | 119.8° | 120.2° |
| C5 | C6 | C7 | 120.8° | 121.1° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | H6 | 119.6° | 119.4° |
| C7 | C6 | H6 | 119.6° | 119.5° |
| C6 | C7 | H7 | 119.6° | 119.6° |
| C9 | C8 | H8 | 109.3° | 109.4° |
| C9 | C8 | H8A | 109.3° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H9A | 109.5° | 109.5° |
| C8 | C9 | H9B | 109.4° | 109.5° |
| C12 | C11 | C80 | 120.1° | 121.0° |
| C11 | C12 | C40 | 121.0° | 120.9° |
| C12 | C11 | H11 | 120.0° | 119.5° |
| C11 | C12 | H12 | 119.5° | 119.5° |
| C80 | C11 | H11 | 120.0° | 119.5° |
| C11 | C80 | H80 | 119.8° | 120.2° |
| C40 | C12 | H12 | 119.5° | 119.6° |
| C12 | C40 | H40 | 119.7° | 120.1° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.4° |
| H9 | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | O1 | N2 | 179.6° | 179.7° |
| C1 | N1 | C2 | HN1 | 180.0° | 180.0° |
| C1 | N1 | C2 | C3 | 127.1° | 155.4° |
| C1 | N1 | C2 | C7 | 57.2° | 24.8° |
| N1 | C1 | N2 | C8 | 180.0° | 180.0° |
| N1 | C1 | N2 | HN2 | 0.0° | 0.1° |
| O1 | C1 | N1 | C2 | 0.5° | 5.6° |
| O1 | C1 | N2 | C8 | 0.3° | 0.3° |
| O1 | C1 | N1 | HN1 | 179.5° | 174.4° |
| O1 | C1 | N2 | HN2 | 179.7° | 179.8° |
| N2 | C1 | N1 | C2 | 179.9° | 174.1° |
| C1 | N2 | C8 | HN2 | 180.0° | 179.9° |
| C1 | N2 | C8 | C9 | 136.7° | 180.0° |
| N2 | C1 | N1 | HN1 | 0.1° | 5.9° |
| C1 | N2 | C8 | H8 | 103.1° | 60.0° |
| C1 | N2 | C8 | H8A | 16.6° | 60.0° |
| N1 | C2 | C3 | C7 | 175.6° | 179.8° |
| N1 | C2 | C3 | C4 | 178.3° | 180.0° |
| N1 | C2 | C3 | C40 | 3.3° | 0.0° |
| N1 | C2 | C7 | C6 | 178.9° | 179.7° |
| N1 | C2 | C7 | H7 | 1.1° | 0.0° |
| C2 | C3 | C4 | C40 | 178.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.1° |
| C2 | C3 | C4 | C80 | 179.4° | 180.0° |
| C3 | C2 | C7 | C6 | 3.2° | 0.5° |
| C2 | C3 | C40 | C12 | 179.7° | 180.0° |
| C3 | C2 | N1 | HN1 | 52.9° | 24.6° |
| C3 | C2 | C7 | H7 | 176.7° | 179.7° |
| C2 | C3 | C40 | H40 | 0.3° | 0.0° |
| C7 | C2 | C3 | C4 | 2.6° | 0.2° |
| C7 | C2 | C3 | C40 | 178.9° | 179.8° |
| C2 | C7 | C6 | C5 | 2.1° | 0.6° |
| C2 | C7 | C6 | H7 | 180.0° | 179.7° |
| C7 | C2 | N1 | HN1 | 122.7° | 155.2° |
| C2 | C7 | C6 | H6 | 177.9° | 179.7° |
| N2 | C8 | C9 | H8 | 120.1° | 119.9° |
| N2 | C8 | C9 | H8A | 120.1° | 120.0° |
| N2 | C8 | H8 | H8A | 119.7° | 120.0° |
| N2 | C8 | C9 | H9 | 180.0° | 180.0° |
| N2 | C8 | C9 | H9A | 60.0° | 60.0° |
| N2 | C8 | C9 | H9B | 60.0° | 60.0° |
| C3 | C4 | C5 | C80 | 179.8° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C80 | C11 | 0.7° | 0.0° |
| C4 | C3 | C40 | C12 | 1.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.7° | 180.0° |
| C4 | C3 | C40 | H40 | 178.8° | 180.0° |
| C3 | C4 | C80 | H80 | 179.3° | 179.9° |
| C40 | C3 | C4 | C5 | 179.4° | 180.0° |
| C40 | C3 | C4 | C80 | 0.8° | 0.0° |
| C3 | C40 | C12 | C11 | 1.6° | 0.1° |
| C3 | C40 | C12 | H40 | 180.0° | 180.0° |
| C3 | C40 | C12 | H12 | 178.4° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.3° |
| C5 | C4 | C80 | C11 | 179.5° | 180.0° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C4 | C80 | H80 | 0.5° | 0.0° |
| C80 | C4 | C5 | C6 | 179.5° | 180.0° |
| C4 | C80 | C11 | C12 | 1.0° | 0.1° |
| C4 | C80 | C11 | H80 | 180.0° | 180.0° |
| C80 | C4 | C5 | H5 | 0.5° | 0.0° |
| C4 | C80 | C11 | H11 | 179.0° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C5 | C6 | C7 | H7 | 177.9° | 179.7° |
| C7 | C6 | C5 | H5 | 179.8° | 179.7° |
| C9 | C8 | N2 | HN2 | 43.2° | 0.0° |
| C9 | C8 | H8 | H8A | 119.7° | 120.0° |
| C8 | C9 | H9 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9B | 120.0° | 120.0° |
| C8 | C9 | H9A | H9B | 120.0° | 120.0° |
| C12 | C11 | C80 | H11 | 180.0° | 179.9° |
| C11 | C12 | C40 | H12 | 180.0° | 179.9° |
| C11 | C12 | C40 | H40 | 178.4° | 180.0° |
| C12 | C11 | C80 | H80 | 179.0° | 179.9° |
| C80 | C11 | C12 | C40 | 1.5° | 0.1° |
| C80 | C11 | C12 | H12 | 178.5° | 180.0° |
| C40 | C12 | C11 | H11 | 178.5° | 180.0° |
| HN2 | N2 | C8 | H8 | 76.9° | 119.9° |
| HN2 | N2 | C8 | H8A | 163.4° | 120.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| H6 | C6 | C7 | H7 | 2.1° | 0.0° |
| H8 | C8 | C9 | H9 | 59.9° | 60.1° |
| H8 | C8 | C9 | H9A | 179.9° | 180.0° |
| H8 | C8 | C9 | H9B | 60.1° | 59.9° |
| H8A | C8 | C9 | H9 | 59.9° | 60.0° |
| H8A | C8 | C9 | H9A | 60.1° | 60.0° |
| H8A | C8 | C9 | H9B | 179.9° | NaN° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 1.5° | 0.1° |
| H11 | C11 | C80 | H80 | 1.0° | 0.0° |
| H12 | C12 | C40 | H40 | 1.6° | 0.0° |
