QG5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | doub | 1.36Å | 1.35Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| C22 | C23 | sing | 1.41Å | 1.43Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.50Å | |
| C20 | C19 | doub | 1.36Å | 1.36Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | N24 | doub | 1.34Å | 1.40Å | Aromatic |
| C23 | C18 | sing | 1.42Å | 1.44Å | Aromatic |
| C02 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.41Å | 1.43Å | Aromatic |
| N24 | C25 | sing | 1.32Å | 1.32Å | Aromatic |
| C18 | N17 | doub | 1.34Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | N09 | sing | 1.38Å | 1.42Å | Aromatic |
| C25 | C16 | doub | 1.46Å | 1.50Å | Aromatic |
| C08 | N09 | sing | 1.40Å | 1.45Å | |
| C08 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| N17 | C16 | sing | 1.32Å | 1.33Å | Aromatic |
| N09 | C10 | sing | 1.36Å | 1.43Å | Aromatic |
| C16 | C12 | sing | 1.47Å | 1.45Å | Aromatic |
| C05 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | O06 | sing | 1.36Å | 1.35Å | |
| C10 | C12 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | N11 | sing | 1.37Å | 1.35Å | |
| C12 | C13 | sing | 1.46Å | 1.48Å | |
| C13 | N14 | sing | 1.35Å | 1.38Å | |
| C13 | O15 | doub | 1.22Å | 1.24Å | |
| N11 | H1 | sing | 0.97Å | 1.00Å | |
| N11 | H2 | sing | 0.97Å | 1.00Å | |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.08Å | 1.08Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C07 | H12 | sing | 1.08Å | 1.08Å | |
| N14 | H13 | sing | 0.97Å | 1.00Å | |
| N14 | H14 | sing | 0.97Å | 1.00Å | |
| O06 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 119.1° | 121.0° |
| C21 | C22 | C23 | 123.7° | 119.8° |
| C22 | C21 | H5 | 120.5° | 119.5° |
| C21 | C22 | H6 | 118.2° | 120.1° |
| C21 | C20 | C19 | 119.2° | 120.9° |
| C21 | C20 | H4 | 120.4° | 119.6° |
| C20 | C21 | H5 | 120.4° | 119.5° |
| C22 | C23 | N24 | 121.9° | 120.2° |
| C22 | C23 | C18 | 117.5° | 119.2° |
| C23 | C22 | H6 | 118.1° | 120.1° |
| C01 | C02 | C03 | 122.6° | 120.0° |
| C01 | C02 | C08 | 121.6° | 120.0° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.4° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C20 | C19 | C18 | 124.1° | 119.8° |
| C20 | C19 | H3 | 118.0° | 120.1° |
| C19 | C20 | H4 | 120.4° | 119.5° |
| C02 | C03 | C04 | 123.0° | 120.2° |
| C03 | C02 | C08 | 115.9° | 120.0° |
| C02 | C03 | H10 | 118.5° | 119.9° |
| C03 | C04 | C05 | 120.1° | 120.1° |
| C04 | C03 | H10 | 118.5° | 119.9° |
| C03 | C04 | H11 | 119.9° | 120.0° |
| N24 | C23 | C18 | 120.6° | 120.6° |
| C23 | N24 | C25 | 116.4° | 119.9° |
| C23 | C18 | C19 | 116.4° | 119.3° |
| C23 | C18 | N17 | 121.3° | 120.4° |
| C02 | C08 | N09 | 117.9° | 120.0° |
| C02 | C08 | C07 | 122.8° | 120.0° |
| C19 | C18 | N17 | 122.3° | 120.3° |
| C18 | C19 | H3 | 117.9° | 120.1° |
| N24 | C25 | N09 | 129.9° | 133.6° |
| N24 | C25 | C16 | 124.4° | 119.4° |
| C18 | N17 | C16 | 118.6° | 119.5° |
| C04 | C05 | C07 | 118.4° | 119.9° |
| C04 | C05 | O06 | 121.4° | 120.0° |
| C05 | C04 | H11 | 119.9° | 119.9° |
| N09 | C25 | C16 | 105.7° | 107.0° |
| C25 | N09 | C08 | 125.1° | 124.7° |
| C25 | N09 | C10 | 111.0° | 110.7° |
| C25 | C16 | N17 | 118.7° | 120.2° |
| C25 | C16 | C12 | 107.0° | 105.4° |
| N09 | C08 | C07 | 119.3° | 120.1° |
| C08 | N09 | C10 | 124.0° | 124.6° |
| C08 | C07 | C05 | 119.8° | 119.9° |
| C08 | C07 | H12 | 120.1° | 120.1° |
| N17 | C16 | C12 | 134.3° | 134.4° |
| N09 | C10 | C12 | 107.7° | 110.4° |
| N09 | C10 | N11 | 120.5° | 124.8° |
| C16 | C12 | C10 | 108.7° | 106.5° |
| C16 | C12 | C13 | 128.1° | 126.8° |
| C07 | C05 | O06 | 120.2° | 120.1° |
| C05 | C07 | H12 | 120.1° | 120.0° |
| C05 | O06 | H15 | 109.5° | 114.0° |
| C12 | C10 | N11 | 131.9° | 124.8° |
| C10 | C12 | C13 | 123.3° | 126.7° |
| C10 | N11 | H1 | 109.5° | 120.0° |
| C10 | N11 | H2 | 109.5° | 120.0° |
| C12 | C13 | N14 | 121.4° | 120.0° |
| C12 | C13 | O15 | 121.2° | 120.0° |
| N14 | C13 | O15 | 117.3° | 120.0° |
| C13 | N14 | H13 | 120.0° | 120.0° |
| C13 | N14 | H14 | 120.0° | 120.0° |
| H1 | N11 | H2 | 109.5° | 120.0° |
| H7 | C01 | H8 | 109.5° | 109.4° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H13 | N14 | H14 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H5 | 180.0° | 179.9° |
| C21 | C22 | C23 | H6 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.0° |
| C21 | C22 | C23 | N24 | 180.0° | 180.0° |
| C21 | C22 | C23 | C18 | 0.1° | 0.0° |
| C22 | C21 | C20 | H4 | 179.9° | 179.9° |
| C20 | C21 | C22 | C23 | 0.1° | 0.1° |
| C21 | C20 | C19 | H4 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.0° |
| C21 | C20 | C19 | H3 | 179.9° | 180.0° |
| C20 | C21 | C22 | H6 | 179.9° | 180.0° |
| C22 | C23 | N24 | C18 | 179.9° | 179.9° |
| C22 | C23 | C18 | C19 | 0.1° | 0.0° |
| C22 | C23 | N24 | C25 | 179.9° | 180.0° |
| C22 | C23 | C18 | N17 | 179.9° | 180.0° |
| C23 | C22 | C21 | H5 | 179.9° | 180.0° |
| C01 | C02 | C03 | C08 | 179.9° | 179.8° |
| C01 | C02 | C03 | C04 | 179.8° | 180.0° |
| C01 | C02 | C08 | N09 | 0.4° | 0.1° |
| C01 | C02 | C08 | C07 | 180.0° | 179.7° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | C02 | C03 | H10 | 0.3° | 0.1° |
| C20 | C19 | C18 | C23 | 0.0° | 0.0° |
| C20 | C19 | C18 | H3 | 180.0° | 180.0° |
| C20 | C19 | C18 | N17 | 180.0° | 180.0° |
| C19 | C20 | C21 | H5 | 179.9° | 180.0° |
| C02 | C03 | C04 | H10 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C03 | C02 | C08 | N09 | 179.6° | 179.7° |
| C03 | C02 | C08 | C07 | 0.0° | 0.5° |
| C03 | C02 | C01 | H7 | 90.0° | 89.7° |
| C03 | C02 | C01 | H8 | 150.0° | 30.3° |
| C03 | C02 | C01 | H9 | 30.0° | 150.3° |
| C02 | C03 | C04 | H11 | 179.8° | 180.0° |
| C04 | C03 | C02 | C08 | 0.2° | 0.2° |
| C03 | C04 | C05 | H11 | 180.0° | 180.0° |
| C03 | C04 | C05 | C07 | 0.1° | 0.0° |
| C03 | C04 | C05 | O06 | 179.9° | 180.0° |
| N24 | C23 | C18 | C19 | 180.0° | 179.9° |
| N24 | C23 | C18 | N17 | 0.0° | 0.0° |
| C23 | N24 | C25 | N09 | 179.8° | 179.7° |
| C23 | N24 | C25 | C16 | 0.0° | 0.1° |
| N24 | C23 | C22 | H6 | 0.0° | 0.1° |
| C23 | C18 | C19 | N17 | 180.0° | 180.0° |
| C18 | C23 | N24 | C25 | 0.0° | 0.1° |
| C23 | C18 | N17 | C16 | 0.0° | 0.0° |
| C23 | C18 | C19 | H3 | 180.0° | 180.0° |
| C18 | C23 | C22 | H6 | 179.9° | 180.0° |
| C02 | C08 | N09 | C25 | 88.9° | 90.0° |
| C02 | C08 | N09 | C07 | 179.6° | 179.8° |
| C02 | C08 | N09 | C10 | 90.0° | 89.6° |
| C02 | C08 | C07 | C05 | 0.1° | 0.5° |
| C08 | C02 | C01 | H7 | 90.0° | 90.1° |
| C08 | C02 | C01 | H8 | 30.0° | 150.0° |
| C08 | C02 | C01 | H9 | 150.0° | 29.9° |
| C08 | C02 | C03 | H10 | 179.8° | 179.7° |
| C02 | C08 | C07 | H12 | 179.9° | 179.7° |
| C19 | C18 | N17 | C16 | 180.0° | 180.0° |
| C18 | C19 | C20 | H4 | 179.9° | 180.0° |
| N24 | C25 | N09 | C16 | 179.8° | 179.8° |
| N24 | C25 | N09 | C08 | 0.8° | 0.1° |
| N24 | C25 | C16 | N17 | 0.0° | 0.1° |
| N24 | C25 | N09 | C10 | 179.8° | 179.8° |
| N24 | C25 | C16 | C12 | 180.0° | 179.9° |
| C18 | N17 | C16 | C25 | 0.0° | 0.0° |
| C18 | N17 | C16 | C12 | 179.9° | 180.0° |
| N17 | C18 | C19 | H3 | 0.0° | 0.0° |
| C04 | C05 | C07 | C08 | 0.1° | 0.3° |
| C04 | C05 | C07 | O06 | 180.0° | 180.0° |
| C05 | C04 | C03 | H10 | 179.7° | 180.0° |
| C04 | C05 | C07 | H12 | 179.9° | 180.0° |
| C04 | C05 | O06 | H15 | 180.0° | 90.0° |
| C25 | N09 | C08 | C10 | 178.9° | 179.6° |
| C25 | N09 | C08 | C07 | 90.7° | 90.2° |
| N09 | C25 | C16 | N17 | 179.8° | 179.8° |
| N09 | C25 | C16 | C12 | 0.1° | 0.2° |
| C25 | N09 | C10 | C12 | 0.4° | 0.4° |
| C25 | N09 | C10 | N11 | 179.9° | 179.9° |
| C16 | C25 | N09 | C08 | 179.4° | 179.9° |
| C25 | C16 | N17 | C12 | 179.9° | 180.0° |
| C16 | C25 | N09 | C10 | 0.3° | 0.4° |
| C25 | C16 | C12 | C10 | 0.1° | 0.0° |
| C25 | C16 | C12 | C13 | 179.9° | 180.0° |
| N09 | C08 | C07 | C05 | 179.7° | 179.7° |
| C08 | N09 | C10 | C12 | 179.5° | 179.9° |
| C08 | N09 | C10 | N11 | 0.8° | 0.2° |
| N09 | C08 | C07 | H12 | 0.3° | 0.1° |
| C07 | C08 | N09 | C10 | 90.4° | 90.2° |
| C08 | C07 | C05 | H12 | 180.0° | 179.8° |
| C08 | C07 | C05 | O06 | 179.9° | 179.8° |
| N17 | C16 | C12 | C10 | 180.0° | 180.0° |
| N17 | C16 | C12 | C13 | 0.2° | 0.0° |
| N09 | C10 | C12 | C16 | 0.3° | 0.2° |
| N09 | C10 | C12 | N11 | 179.7° | 179.7° |
| N09 | C10 | C12 | C13 | 179.9° | 179.7° |
| N09 | C10 | N11 | H1 | 180.0° | 179.7° |
| N09 | C10 | N11 | H2 | 60.0° | 0.2° |
| C16 | C12 | C10 | C13 | 179.8° | 180.0° |
| C16 | C12 | C10 | N11 | 180.0° | 180.0° |
| C16 | C12 | C13 | N14 | 10.2° | 90.0° |
| C16 | C12 | C13 | O15 | 169.6° | 90.0° |
| C07 | C05 | C04 | H11 | 179.9° | 179.9° |
| C07 | C05 | O06 | H15 | 0.0° | 90.0° |
| O06 | C05 | C04 | H11 | 0.1° | 0.0° |
| O06 | C05 | C07 | H12 | 0.1° | 0.0° |
| C10 | C12 | C13 | N14 | 170.0° | 90.0° |
| C10 | C12 | C13 | O15 | 10.2° | 90.0° |
| C12 | C10 | N11 | H1 | 0.4° | 0.0° |
| C12 | C10 | N11 | H2 | 120.4° | 179.9° |
| N11 | C10 | C12 | C13 | 0.2° | 0.0° |
| C10 | N11 | H1 | H2 | 120.0° | 179.9° |
| C12 | C13 | N14 | O15 | 179.8° | 180.0° |
| C12 | C13 | N14 | H13 | 179.8° | 0.0° |
| C12 | C13 | N14 | H14 | 0.2° | 180.0° |
| C13 | N14 | H13 | H14 | 180.0° | 180.0° |
| O15 | C13 | N14 | H13 | 0.0° | 179.9° |
| O15 | C13 | N14 | H14 | 180.0° | 0.0° |
| H3 | C19 | C20 | H4 | 0.1° | 0.0° |
| H4 | C20 | C21 | H5 | 0.1° | 0.0° |
| H5 | C21 | C22 | H6 | 0.1° | 0.1° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H10 | C03 | C04 | H11 | 0.3° | 0.1° |
