2HH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | N14 | sing | 1.32Å | 1.33Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| N14 | C15 | doub | 1.32Å | 1.31Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N9 | sing | 1.40Å | 1.39Å | |
| N9 | C7 | sing | 1.35Å | 1.37Å | |
| O8 | C7 | doub | 1.22Å | 1.25Å | |
| C7 | C3 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | N2 | sing | 1.46Å | 1.47Å | |
| N2 | N6 | sing | 1.28Å | 1.29Å | Aromatic |
| C5 | N6 | doub | 1.31Å | 1.32Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N9 | H6 | sing | 0.97Å | 1.00Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | N14 | 121.6° | 120.9° |
| C13 | C12 | C11 | 118.6° | 119.3° |
| C13 | C12 | H8 | 120.7° | 120.4° |
| C12 | C13 | H9 | 119.2° | 119.6° |
| C13 | N14 | C15 | 121.3° | 121.8° |
| N14 | C13 | H9 | 119.2° | 119.5° |
| C12 | C11 | C10 | 117.5° | 118.3° |
| C12 | C11 | H7 | 121.2° | 120.9° |
| C11 | C12 | H8 | 120.7° | 120.4° |
| N14 | C15 | C10 | 120.1° | 120.7° |
| N14 | C15 | H10 | 119.9° | 119.7° |
| C11 | C10 | C15 | 120.8° | 119.0° |
| C11 | C10 | N9 | 122.2° | 120.5° |
| C10 | C11 | H7 | 121.2° | 120.8° |
| C15 | C10 | N9 | 116.9° | 120.5° |
| C10 | C15 | H10 | 120.0° | 119.6° |
| C10 | N9 | C7 | 120.8° | 120.0° |
| C10 | N9 | H6 | 119.6° | 120.0° |
| N9 | C7 | O8 | 122.5° | 120.0° |
| N9 | C7 | C3 | 114.0° | 120.0° |
| C7 | N9 | H6 | 119.6° | 120.0° |
| O8 | C7 | C3 | 123.5° | 120.0° |
| C7 | C3 | C4 | 125.3° | 126.9° |
| C7 | C3 | N2 | 127.9° | 126.9° |
| C4 | C3 | N2 | 106.8° | 106.2° |
| C3 | C4 | C5 | 105.5° | 105.4° |
| C3 | C4 | H4 | 127.2° | 127.3° |
| C3 | N2 | C1 | 127.1° | 125.2° |
| C3 | N2 | N6 | 108.1° | 109.6° |
| C4 | C5 | N6 | 107.6° | 107.8° |
| C5 | C4 | H4 | 127.3° | 127.3° |
| C4 | C5 | H5 | 126.2° | 126.0° |
| C1 | N2 | N6 | 124.7° | 125.2° |
| N2 | C1 | H1 | 109.5° | 109.4° |
| N2 | C1 | H2 | 109.5° | 109.5° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| N2 | N6 | C5 | 111.9° | 111.0° |
| N6 | C5 | H5 | 126.2° | 126.1° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | N14 | H9 | 180.0° | 180.0° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C12 | C13 | N14 | C15 | 0.7° | 0.3° |
| C13 | C12 | C11 | C10 | 2.7° | 0.0° |
| C13 | C12 | C11 | H7 | 177.2° | 180.0° |
| N14 | C13 | C12 | C11 | 1.7° | 0.0° |
| C13 | N14 | C15 | C10 | 0.8° | 0.5° |
| N14 | C13 | C12 | H8 | 178.3° | 180.0° |
| C13 | N14 | C15 | H10 | 179.2° | 180.0° |
| C12 | C11 | C10 | H7 | 180.0° | 180.0° |
| C12 | C11 | C10 | C15 | 2.9° | 0.2° |
| C12 | C11 | C10 | N9 | 178.0° | 179.9° |
| C11 | C12 | C13 | H9 | 178.3° | 180.0° |
| N14 | C15 | C10 | C11 | 1.9° | 0.5° |
| N14 | C15 | C10 | H10 | 180.0° | 179.5° |
| N14 | C15 | C10 | N9 | 177.3° | 179.8° |
| C15 | N14 | C13 | H9 | 179.3° | 179.7° |
| C11 | C10 | C15 | N9 | 175.3° | 179.7° |
| C11 | C10 | N9 | C7 | 163.1° | 147.9° |
| C11 | C10 | N9 | H6 | 16.9° | 32.1° |
| C10 | C11 | C12 | H8 | 177.3° | 180.0° |
| C11 | C10 | C15 | H10 | 178.0° | 180.0° |
| C15 | C10 | N9 | C7 | 21.7° | 32.4° |
| C15 | C10 | N9 | H6 | 158.3° | 147.6° |
| C15 | C10 | C11 | H7 | 177.1° | 179.7° |
| C10 | N9 | C7 | H6 | 180.0° | 180.0° |
| C10 | N9 | C7 | O8 | 3.5° | 8.4° |
| C10 | N9 | C7 | C3 | 174.1° | 171.6° |
| N9 | C10 | C11 | H7 | 2.0° | 0.0° |
| N9 | C10 | C15 | H10 | 2.7° | 0.3° |
| N9 | C7 | O8 | C3 | 177.3° | 180.0° |
| N9 | C7 | C3 | C4 | 2.0° | 6.6° |
| N9 | C7 | C3 | N2 | 174.0° | 173.3° |
| O8 | C7 | C3 | C4 | 179.5° | 173.4° |
| O8 | C7 | C3 | N2 | 3.5° | 6.7° |
| O8 | C7 | N9 | H6 | 176.5° | 171.7° |
| C7 | C3 | C4 | N2 | 176.7° | 179.9° |
| C7 | C3 | C4 | C5 | 178.7° | 180.0° |
| C7 | C3 | N2 | C1 | 1.8° | 0.0° |
| C7 | C3 | N2 | N6 | 178.8° | 179.8° |
| C7 | C3 | C4 | H4 | 1.3° | 0.1° |
| C3 | C7 | N9 | H6 | 5.9° | 8.3° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C4 | C3 | N2 | C1 | 178.3° | 179.9° |
| C4 | C3 | N2 | N6 | 2.3° | 0.3° |
| C3 | C4 | C5 | N6 | 1.0° | 0.2° |
| C3 | C4 | C5 | H5 | 178.9° | 180.0° |
| N2 | C3 | C4 | C5 | 2.0° | 0.1° |
| C3 | N2 | C1 | N6 | 179.3° | 179.8° |
| C3 | N2 | N6 | C5 | 1.7° | 0.4° |
| C3 | N2 | C1 | H1 | 179.3° | 91.3° |
| C3 | N2 | C1 | H2 | 59.3° | 28.7° |
| C3 | N2 | C1 | H3 | 60.7° | 148.8° |
| N2 | C3 | C4 | H4 | 178.0° | 180.0° |
| C4 | C5 | N6 | N2 | 0.4° | 0.3° |
| C4 | C5 | N6 | H5 | 180.0° | 179.9° |
| C1 | N2 | N6 | C5 | 178.9° | 179.8° |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.1° |
| N6 | N2 | C1 | H1 | 0.0° | 88.5° |
| N6 | N2 | C1 | H2 | 120.0° | 151.5° |
| N6 | N2 | C1 | H3 | 120.0° | 31.5° |
| N2 | N6 | C5 | H5 | 179.6° | 179.8° |
| N6 | C5 | C4 | H4 | 178.9° | 179.7° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 1.1° | 0.1° |
| H7 | C11 | C12 | H8 | 2.7° | 0.0° |
| H8 | C12 | C13 | H9 | 1.7° | 0.0° |
