WIH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.42Å | |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C9 | sing | 1.48Å | 1.50Å | |
| N10 | C9 | sing | 1.36Å | 1.36Å | Aromatic |
| N10 | N11 | sing | 1.41Å | 1.35Å | Aromatic |
| C9 | N13 | doub | 1.32Å | 1.36Å | Aromatic |
| N13 | N12 | sing | 1.28Å | 1.35Å | Aromatic |
| N11 | N12 | doub | 1.29Å | 1.35Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.08Å | |
| C7 | HC7 | sing | 1.08Å | 1.08Å | |
| C8 | HC8 | sing | 1.08Å | 1.08Å | |
| C1 | HC1A | sing | 1.09Å | 1.10Å | |
| C1 | HC1C | sing | 1.09Å | 1.10Å | |
| C1 | HC1B | sing | 1.09Å | 1.10Å | |
| C5 | HC5 | sing | 1.08Å | 1.08Å | |
| N10 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 116.4° | 117.0° |
| O2 | C1 | HC1A | 109.5° | 109.5° |
| O2 | C1 | HC1C | 109.5° | 109.6° |
| O2 | C1 | HC1B | 109.5° | 109.5° |
| O2 | C3 | C4 | 125.9° | 119.9° |
| O2 | C3 | C8 | 115.0° | 120.0° |
| C4 | C3 | C8 | 119.1° | 120.2° |
| C3 | C4 | C5 | 120.4° | 120.0° |
| C3 | C4 | HC4 | 119.8° | 120.0° |
| C3 | C8 | C7 | 120.8° | 120.1° |
| C3 | C8 | HC8 | 119.6° | 120.0° |
| C4 | C5 | C6 | 120.1° | 120.0° |
| C5 | C4 | HC4 | 119.8° | 120.0° |
| C4 | C5 | HC5 | 119.9° | 120.0° |
| C8 | C7 | C6 | 119.9° | 119.9° |
| C8 | C7 | HC7 | 120.1° | 120.0° |
| C7 | C8 | HC8 | 119.6° | 119.9° |
| C5 | C6 | C7 | 119.7° | 119.8° |
| C5 | C6 | C9 | 120.2° | 120.1° |
| C6 | C5 | HC5 | 119.9° | 120.0° |
| C7 | C6 | C9 | 120.1° | 120.1° |
| C6 | C7 | HC7 | 120.0° | 120.1° |
| C6 | C9 | N10 | 124.3° | 126.5° |
| C6 | C9 | N13 | 124.0° | 126.5° |
| C9 | N10 | N11 | 104.9° | 105.2° |
| N10 | C9 | N13 | 111.6° | 107.0° |
| C9 | N10 | H1 | 127.6° | 127.4° |
| N10 | N11 | N12 | 109.3° | 106.9° |
| N11 | N10 | H1 | 127.6° | 127.4° |
| C9 | N13 | N12 | 104.8° | 110.5° |
| N13 | N12 | N11 | 109.4° | 110.4° |
| HC1A | C1 | HC1C | 109.5° | 109.5° |
| HC1A | C1 | HC1B | 109.4° | 109.4° |
| HC1C | C1 | HC1B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C4 | 3.7° | 180.0° |
| C1 | O2 | C3 | C8 | 176.7° | 0.0° |
| O2 | C1 | HC1A | HC1C | 120.0° | 120.1° |
| O2 | C1 | HC1A | HC1B | 120.0° | 120.0° |
| O2 | C1 | HC1C | HC1B | 120.0° | 120.0° |
| O2 | C3 | C4 | C8 | 179.7° | 180.0° |
| O2 | C3 | C4 | C5 | 179.9° | 180.0° |
| O2 | C3 | C8 | C7 | 179.8° | 179.5° |
| O2 | C3 | C4 | HC4 | 0.1° | 0.3° |
| O2 | C3 | C8 | HC8 | 0.3° | 0.3° |
| C3 | O2 | C1 | HC1A | 180.0° | 60.1° |
| C3 | O2 | C1 | HC1C | 60.0° | 60.0° |
| C3 | O2 | C1 | HC1B | 60.0° | 180.0° |
| C3 | C4 | C5 | HC4 | 180.0° | 179.7° |
| C4 | C3 | C8 | C7 | 0.6° | 0.5° |
| C3 | C4 | C5 | C6 | 0.3° | 0.2° |
| C4 | C3 | C8 | HC8 | 179.4° | 179.7° |
| C3 | C4 | C5 | HC5 | 179.8° | 179.7° |
| C8 | C3 | C4 | C5 | 0.3° | 0.0° |
| C3 | C8 | C7 | HC8 | 180.0° | 179.2° |
| C3 | C8 | C7 | C6 | 0.3° | 0.7° |
| C8 | C3 | C4 | HC4 | 179.7° | 179.7° |
| C3 | C8 | C7 | HC7 | 179.6° | 179.3° |
| C4 | C5 | C6 | HC5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.0° |
| C4 | C5 | C6 | C9 | 178.6° | 179.5° |
| C8 | C7 | C6 | C5 | 0.2° | 0.5° |
| C8 | C7 | C6 | HC7 | 180.0° | 180.0° |
| C8 | C7 | C6 | C9 | 178.9° | 180.0° |
| C5 | C6 | C7 | C9 | 179.1° | 179.5° |
| C5 | C6 | C9 | N10 | 19.6° | 0.2° |
| C5 | C6 | C9 | N13 | 159.6° | 179.4° |
| C6 | C5 | C4 | HC4 | 179.8° | 180.0° |
| C5 | C6 | C7 | HC7 | 179.8° | 179.5° |
| C7 | C6 | C9 | N10 | 161.3° | 179.7° |
| C7 | C6 | C9 | N13 | 19.5° | 0.1° |
| C6 | C7 | C8 | HC8 | 179.6° | 180.0° |
| C7 | C6 | C5 | HC5 | 179.5° | 180.0° |
| C6 | C9 | N10 | N13 | 179.3° | 179.7° |
| C6 | C9 | N10 | N11 | 177.4° | 180.0° |
| C6 | C9 | N13 | N12 | 177.4° | 179.8° |
| C9 | C6 | C7 | HC7 | 1.1° | 0.0° |
| C9 | C6 | C5 | HC5 | 1.4° | 0.5° |
| C6 | C9 | N10 | H1 | 2.7° | 0.0° |
| C9 | N10 | N11 | H1 | 180.0° | 180.0° |
| N10 | C9 | N13 | N12 | 1.9° | 0.5° |
| C9 | N10 | N11 | N12 | 1.2° | 0.0° |
| N11 | N10 | C9 | N13 | 1.9° | 0.3° |
| N10 | N11 | N12 | N13 | 0.1° | 0.3° |
| C9 | N13 | N12 | N11 | 1.1° | 0.5° |
| N13 | C9 | N10 | H1 | 178.0° | 179.7° |
| N12 | N11 | N10 | H1 | 178.8° | 180.0° |
| HC4 | C4 | C5 | HC5 | 0.2° | 0.0° |
| HC7 | C7 | C8 | HC8 | 0.4° | 0.0° |
| HC1A | C1 | HC1C | HC1B | 120.0° | 119.9° |
