EHQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | O6 | sing | 1.21Å | 1.22Å | Aromatic |
| N4 | C8 | doub | 1.30Å | 1.30Å | Aromatic |
| O6 | C5 | sing | 1.34Å | 1.33Å | Aromatic |
| C8 | C14 | sing | 1.51Å | 1.51Å | |
| C8 | C2 | sing | 1.42Å | 1.42Å | Aromatic |
| C5 | C2 | doub | 1.37Å | 1.37Å | Aromatic |
| C5 | C13 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.48Å | 1.48Å | |
| C1 | N7 | doub | 1.31Å | 1.35Å | Aromatic |
| C1 | C3 | sing | 1.42Å | 1.39Å | Aromatic |
| C16 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | N12 | sing | 1.32Å | 1.33Å | Aromatic |
| C18 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| N7 | N9 | sing | 1.40Å | 1.39Å | Aromatic |
| N12 | C15 | doub | 1.32Å | 1.33Å | Aromatic |
| C11 | C3 | sing | 1.48Å | 1.48Å | |
| C11 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C10 | doub | 1.36Å | 1.41Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| N9 | C10 | sing | 1.35Å | 1.32Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| N9 | H7 | sing | 0.97Å | 1.00Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | N4 | C8 | 112.2° | 111.9° |
| N4 | O6 | C5 | 111.7° | 111.9° |
| N4 | C8 | C14 | 127.4° | 126.8° |
| N4 | C8 | C2 | 105.8° | 106.3° |
| O6 | C5 | C2 | 106.1° | 106.2° |
| O6 | C5 | C13 | 125.9° | 126.8° |
| C14 | C8 | C2 | 126.8° | 126.9° |
| C8 | C14 | H9 | 109.5° | 109.5° |
| C8 | C14 | H10 | 109.5° | 109.5° |
| C8 | C14 | H11 | 109.5° | 109.5° |
| C8 | C2 | C5 | 104.3° | 103.7° |
| C8 | C2 | C1 | 128.3° | 128.1° |
| C2 | C5 | C13 | 128.0° | 126.9° |
| C5 | C2 | C1 | 127.4° | 128.2° |
| C5 | C13 | H2 | 109.5° | 109.5° |
| C5 | C13 | H3 | 109.4° | 109.5° |
| C5 | C13 | H4 | 109.5° | 109.4° |
| C2 | C1 | N7 | 123.2° | 126.1° |
| C2 | C1 | C3 | 129.5° | 126.1° |
| N7 | C1 | C3 | 107.3° | 107.8° |
| C1 | N7 | N9 | 108.8° | 108.4° |
| C1 | C3 | C11 | 127.4° | 126.3° |
| C1 | C3 | C10 | 106.6° | 107.4° |
| C18 | C16 | N12 | 120.3° | 120.9° |
| C16 | C18 | C11 | 119.5° | 119.0° |
| C16 | C18 | H8 | 120.3° | 120.5° |
| C18 | C16 | H12 | 119.8° | 119.6° |
| C16 | N12 | C15 | 121.9° | 122.0° |
| N12 | C16 | H12 | 119.9° | 119.5° |
| C18 | C11 | C3 | 122.3° | 120.9° |
| C18 | C11 | C17 | 118.3° | 118.2° |
| C11 | C18 | H8 | 120.3° | 120.5° |
| N7 | N9 | C10 | 108.6° | 108.5° |
| N7 | N9 | H7 | 125.7° | 125.7° |
| N12 | C15 | C17 | 121.1° | 120.9° |
| N12 | C15 | H5 | 119.4° | 119.5° |
| C3 | C11 | C17 | 119.3° | 120.9° |
| C11 | C3 | C10 | 126.0° | 126.3° |
| C11 | C17 | C15 | 118.8° | 119.0° |
| C11 | C17 | H6 | 120.6° | 120.4° |
| C3 | C10 | N9 | 108.6° | 107.9° |
| C3 | C10 | H1 | 125.7° | 126.0° |
| C17 | C15 | H5 | 119.4° | 119.6° |
| C15 | C17 | H6 | 120.6° | 120.5° |
| N9 | C10 | H1 | 125.7° | 126.1° |
| C10 | N9 | H7 | 125.7° | 125.8° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H4 | 109.4° | 109.4° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H9 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | N4 | C8 | C14 | 179.5° | 179.9° |
| O6 | N4 | C8 | C2 | 0.3° | 0.5° |
| N4 | O6 | C5 | C2 | 0.1° | 0.0° |
| N4 | O6 | C5 | C13 | 177.9° | 179.7° |
| C8 | N4 | O6 | C5 | 0.1° | 0.3° |
| N4 | C8 | C14 | C2 | 179.1° | 179.5° |
| N4 | C8 | C2 | C5 | 0.3° | 0.5° |
| N4 | C8 | C2 | C1 | 177.8° | 179.6° |
| N4 | C8 | C14 | H9 | 0.0° | 93.3° |
| N4 | C8 | C14 | H10 | 120.0° | 26.7° |
| N4 | C8 | C14 | H11 | 120.0° | 146.7° |
| O6 | C5 | C2 | C8 | 0.2° | 0.3° |
| O6 | C5 | C2 | C13 | 177.8° | 179.7° |
| O6 | C5 | C2 | C1 | 177.9° | 179.8° |
| O6 | C5 | C13 | H2 | 0.0° | 90.4° |
| O6 | C5 | C13 | H3 | 120.0° | 29.7° |
| O6 | C5 | C13 | H4 | 120.0° | 149.7° |
| C14 | C8 | C2 | C5 | 179.6° | 180.0° |
| C14 | C8 | C2 | C1 | 1.4° | 0.1° |
| C8 | C14 | H9 | H10 | 120.0° | 120.0° |
| C8 | C14 | H9 | H11 | 120.0° | 120.1° |
| C8 | C14 | H10 | H11 | 120.0° | 120.0° |
| C8 | C2 | C5 | C1 | 178.2° | 179.9° |
| C8 | C2 | C5 | C13 | 178.0° | 180.0° |
| C8 | C2 | C1 | N7 | 126.4° | 130.6° |
| C8 | C2 | C1 | C3 | 52.4° | 49.2° |
| C2 | C8 | C14 | H9 | 179.1° | 86.2° |
| C2 | C8 | C14 | H10 | 60.9° | 153.8° |
| C2 | C8 | C14 | H11 | 59.1° | 33.9° |
| C5 | C2 | C1 | N7 | 51.3° | 49.3° |
| C5 | C2 | C1 | C3 | 129.9° | 130.9° |
| C2 | C5 | C13 | H2 | 177.4° | 90.0° |
| C2 | C5 | C13 | H3 | 57.4° | 150.0° |
| C2 | C5 | C13 | H4 | 62.6° | 29.9° |
| C13 | C5 | C2 | C1 | 0.1° | 0.1° |
| C5 | C13 | H2 | H3 | 120.0° | 120.1° |
| C5 | C13 | H2 | H4 | 120.0° | 119.9° |
| C5 | C13 | H3 | H4 | 120.0° | 120.0° |
| C2 | C1 | N7 | C3 | 179.0° | 179.8° |
| C2 | C1 | N7 | N9 | 179.1° | 179.9° |
| C2 | C1 | C3 | C11 | 1.0° | 0.2° |
| C2 | C1 | C3 | C10 | 179.7° | 179.8° |
| N7 | C1 | C3 | C11 | 177.9° | 180.0° |
| N7 | C1 | C3 | C10 | 1.4° | 0.4° |
| C1 | N7 | N9 | C10 | 1.6° | 0.0° |
| C1 | N7 | N9 | H7 | 178.3° | 180.0° |
| C1 | C3 | C11 | C18 | 44.8° | 124.9° |
| C3 | C1 | N7 | N9 | 1.8° | 0.3° |
| C1 | C3 | C11 | C10 | 179.2° | 179.5° |
| C1 | C3 | C11 | C17 | 130.4° | 55.1° |
| C1 | C3 | C10 | N9 | 0.4° | 0.4° |
| C1 | C3 | C10 | H1 | 179.6° | 179.9° |
| C18 | C16 | N12 | H12 | 180.0° | 179.9° |
| C16 | C18 | C11 | H8 | 180.0° | 180.0° |
| C18 | C16 | N12 | C15 | 0.2° | 0.1° |
| C16 | C18 | C11 | C3 | 177.4° | 180.0° |
| C16 | C18 | C11 | C17 | 2.2° | 0.0° |
| N12 | C16 | C18 | C11 | 2.6° | 0.0° |
| C16 | N12 | C15 | C17 | 2.5° | 0.1° |
| C16 | N12 | C15 | H5 | 177.6° | 180.0° |
| N12 | C16 | C18 | H8 | 177.5° | 179.9° |
| C18 | C11 | C3 | C17 | 175.2° | 180.0° |
| C18 | C11 | C3 | C10 | 136.0° | 55.7° |
| C18 | C11 | C17 | C15 | 0.4° | 0.0° |
| C18 | C11 | C17 | H6 | 179.6° | 179.9° |
| C11 | C18 | C16 | H12 | 177.4° | 179.9° |
| N7 | N9 | C10 | C3 | 0.7° | 0.2° |
| N7 | N9 | C10 | H7 | 180.0° | 180.0° |
| N7 | N9 | C10 | H1 | 179.3° | 180.0° |
| N12 | C15 | C17 | C11 | 2.7° | 0.1° |
| N12 | C15 | C17 | H5 | 180.0° | 179.9° |
| N12 | C15 | C17 | H6 | 177.3° | 180.0° |
| C15 | N12 | C16 | H12 | 179.8° | 180.0° |
| C3 | C11 | C17 | C15 | 175.0° | 180.0° |
| C11 | C3 | C10 | N9 | 178.9° | 180.0° |
| C11 | C3 | C10 | H1 | 1.1° | 0.3° |
| C3 | C11 | C17 | H6 | 5.0° | 0.0° |
| C3 | C11 | C18 | H8 | 2.6° | 0.0° |
| C17 | C11 | C3 | C10 | 48.8° | 124.4° |
| C11 | C17 | C15 | H6 | 180.0° | 179.9° |
| C11 | C17 | C15 | H5 | 177.3° | 180.0° |
| C17 | C11 | C18 | H8 | 177.8° | 180.0° |
| C3 | C10 | N9 | H1 | 180.0° | 179.7° |
| C3 | C10 | N9 | H7 | 179.2° | 179.7° |
| H1 | C10 | N9 | H7 | 0.7° | 0.0° |
| H2 | C13 | H3 | H4 | 120.0° | 120.0° |
| H5 | C15 | C17 | H6 | 2.7° | 0.1° |
| H8 | C18 | C16 | H12 | 2.6° | 0.1° |
| H9 | C14 | H10 | H11 | 120.0° | 119.9° |
