H0M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C6 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | N1 | sing | 1.35Å | 1.35Å | |
| C3 | N1 | sing | 1.39Å | 1.40Å | |
| C3 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | C8 | sing | 1.51Å | 1.50Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | O2 | sing | 1.36Å | 1.37Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 119.6° | 118.5° |
| C5 | C4 | C3 | 118.0° | 119.1° |
| C5 | C4 | H2 | 121.0° | 120.5° |
| C4 | C5 | H3 | 120.2° | 120.7° |
| C5 | C6 | C7 | 118.4° | 119.4° |
| C6 | C5 | H3 | 120.2° | 120.8° |
| C5 | C6 | H4 | 120.8° | 120.3° |
| C4 | C3 | N1 | 123.4° | 119.7° |
| C4 | C3 | N2 | 123.4° | 120.6° |
| C3 | C4 | H2 | 121.0° | 120.5° |
| O1 | C2 | C1 | 121.6° | 120.0° |
| O1 | C2 | N1 | 123.9° | 119.9° |
| C6 | C7 | N2 | 123.9° | 120.8° |
| C7 | C6 | H4 | 120.8° | 120.3° |
| C6 | C7 | H5 | 118.0° | 119.6° |
| C1 | C2 | N1 | 114.5° | 120.1° |
| C2 | C1 | C8 | 111.9° | 109.5° |
| C2 | C1 | H8 | 108.9° | 109.5° |
| C2 | C1 | H9 | 108.9° | 109.4° |
| C2 | N1 | C3 | 127.6° | 120.0° |
| C2 | N1 | H1 | 116.2° | 119.9° |
| N1 | C3 | N2 | 113.3° | 119.7° |
| C3 | N1 | H1 | 116.2° | 120.0° |
| C3 | N2 | C7 | 116.7° | 121.7° |
| C1 | C8 | C9 | 121.1° | 120.0° |
| C1 | C8 | C13 | 119.7° | 120.0° |
| C8 | C1 | H8 | 108.9° | 109.5° |
| C8 | C1 | H9 | 108.9° | 109.4° |
| C8 | C9 | C10 | 120.2° | 120.1° |
| C9 | C8 | C13 | 119.3° | 120.1° |
| C8 | C9 | H10 | 119.9° | 119.9° |
| C9 | C10 | C11 | 120.3° | 120.1° |
| C9 | C10 | H6 | 119.8° | 120.0° |
| C10 | C9 | H10 | 119.9° | 119.9° |
| N2 | C7 | H5 | 118.0° | 119.6° |
| C8 | C13 | C12 | 120.8° | 119.9° |
| C8 | C13 | H7 | 119.6° | 120.0° |
| C10 | C11 | C12 | 119.8° | 119.9° |
| C11 | C10 | H6 | 119.8° | 119.9° |
| C10 | C11 | H11 | 120.1° | 120.0° |
| C11 | C12 | C13 | 119.7° | 119.9° |
| C11 | C12 | O2 | 122.3° | 120.0° |
| C12 | C11 | H11 | 120.1° | 120.1° |
| C13 | C12 | O2 | 118.0° | 120.1° |
| C12 | C13 | H7 | 119.6° | 120.0° |
| C12 | O2 | H12 | 109.5° | 114.0° |
| H8 | C1 | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C5 | C4 | C3 | H2 | 180.0° | 179.8° |
| C4 | C5 | C6 | C7 | 0.2° | 0.1° |
| C5 | C4 | C3 | N1 | 179.6° | 179.7° |
| C5 | C4 | C3 | N2 | 0.8° | 0.1° |
| C4 | C5 | C6 | H4 | 179.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.6° | 0.1° |
| C5 | C6 | C7 | H4 | 180.0° | 179.9° |
| C5 | C6 | C7 | N2 | 0.1° | 0.1° |
| C6 | C5 | C4 | H2 | 179.5° | 179.7° |
| C5 | C6 | C7 | H5 | 179.9° | 180.0° |
| C4 | C3 | N1 | C2 | 2.2° | 174.9° |
| C4 | C3 | N1 | N2 | 179.6° | 179.7° |
| C4 | C3 | N2 | C7 | 0.6° | 0.1° |
| C4 | C3 | N1 | H1 | 177.9° | 5.4° |
| C3 | C4 | C5 | H3 | 179.4° | 180.0° |
| O1 | C2 | C1 | N1 | 177.9° | 180.0° |
| O1 | C2 | N1 | C3 | 9.9° | 4.8° |
| O1 | C2 | C1 | C8 | 67.7° | 0.0° |
| O1 | C2 | N1 | H1 | 170.0° | 174.9° |
| O1 | C2 | C1 | H8 | 52.7° | 120.0° |
| O1 | C2 | C1 | H9 | 171.9° | 120.0° |
| C6 | C7 | N2 | C3 | 0.3° | 0.1° |
| C6 | C7 | N2 | H5 | 180.0° | 179.9° |
| C7 | C6 | C5 | H3 | 179.8° | 180.0° |
| C1 | C2 | N1 | C3 | 167.9° | 175.2° |
| C2 | C1 | C8 | H8 | 120.4° | 120.0° |
| C2 | C1 | C8 | H9 | 120.4° | 120.0° |
| C2 | C1 | C8 | C9 | 108.7° | 89.7° |
| C2 | C1 | C8 | C13 | 72.3° | 90.0° |
| C1 | C2 | N1 | H1 | 12.1° | 5.1° |
| C2 | C1 | H8 | H9 | 118.9° | 120.0° |
| C2 | N1 | C3 | H1 | 180.0° | 179.7° |
| C2 | N1 | C3 | N2 | 178.2° | 4.8° |
| N1 | C2 | C1 | C8 | 114.4° | 180.0° |
| N1 | C2 | C1 | H8 | 125.2° | 59.9° |
| N1 | C2 | C1 | H9 | 6.0° | 60.0° |
| N1 | C3 | N2 | C7 | 179.8° | 179.7° |
| N1 | C3 | C4 | H2 | 0.3° | 0.1° |
| N2 | C3 | N1 | H1 | 1.8° | 174.9° |
| N2 | C3 | C4 | H2 | 179.2° | 179.7° |
| C3 | N2 | C7 | H5 | 179.7° | 180.0° |
| C1 | C8 | C9 | C13 | 179.1° | 179.7° |
| C1 | C8 | C9 | C10 | 179.5° | 179.7° |
| C1 | C8 | C13 | C12 | 179.6° | 179.9° |
| C1 | C8 | C13 | H7 | 0.4° | 0.0° |
| C8 | C1 | H8 | H9 | 118.9° | 120.0° |
| C1 | C8 | C9 | H10 | 0.5° | 0.3° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.5° |
| C9 | C8 | C13 | C12 | 0.5° | 0.2° |
| C8 | C9 | C10 | H6 | 179.6° | 179.7° |
| C9 | C8 | C13 | H7 | 179.5° | 179.7° |
| C9 | C8 | C1 | H8 | 11.7° | 30.3° |
| C9 | C8 | C1 | H9 | 131.0° | 150.3° |
| C10 | C9 | C8 | C13 | 0.4° | 0.0° |
| C9 | C10 | C11 | H6 | 180.0° | 179.2° |
| C9 | C10 | C11 | C12 | 1.0° | 0.8° |
| C9 | C10 | C11 | H11 | 179.0° | 179.2° |
| N2 | C7 | C6 | H4 | 179.9° | 180.0° |
| C8 | C13 | C12 | C11 | 0.1° | 0.0° |
| C8 | C13 | C12 | H7 | 180.0° | 180.0° |
| C8 | C13 | C12 | O2 | 178.8° | 180.0° |
| C13 | C8 | C1 | H8 | 167.3° | 150.0° |
| C13 | C8 | C1 | H9 | 48.1° | 30.0° |
| C13 | C8 | C9 | H10 | 179.6° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.9° | 0.5° |
| C10 | C11 | C12 | O2 | 179.5° | 179.5° |
| C11 | C10 | C9 | H10 | 179.6° | 179.5° |
| C11 | C12 | C13 | O2 | 178.7° | 180.0° |
| C12 | C11 | C10 | H6 | 179.0° | 180.0° |
| C11 | C12 | C13 | H7 | 179.9° | 180.0° |
| C11 | C12 | O2 | H12 | 180.0° | 90.0° |
| C13 | C12 | C11 | H11 | 179.1° | 179.5° |
| C13 | C12 | O2 | H12 | 1.3° | 90.0° |
| O2 | C12 | C13 | H7 | 1.2° | 0.0° |
| O2 | C12 | C11 | H11 | 0.5° | 0.5° |
| H2 | C4 | C5 | H3 | 0.5° | 0.2° |
| H3 | C5 | C6 | H4 | 0.2° | 0.0° |
| H4 | C6 | C7 | H5 | 0.1° | 0.1° |
| H6 | C10 | C9 | H10 | 0.4° | 0.3° |
| H6 | C10 | C11 | H11 | 1.0° | 0.0° |
