2QU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | N15 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.37Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| N15 | C16 | doub | 1.32Å | 1.37Å | Aromatic |
| C1 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C12 | C3 | sing | 1.48Å | 1.48Å | |
| C12 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | F18 | sing | 1.35Å | 1.35Å | |
| C6 | N7 | doub | 1.34Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| N7 | C8 | sing | 1.31Å | 1.32Å | Aromatic |
| N4 | C5 | sing | 1.33Å | 1.36Å | Aromatic |
| C5 | C10 | doub | 1.42Å | 1.44Å | Aromatic |
| C8 | N9 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | N9 | sing | 1.33Å | 1.39Å | Aromatic |
| C10 | N11 | sing | 1.38Å | 1.35Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| N11 | H4 | sing | 0.97Å | 1.00Å | |
| N11 | H5 | sing | 0.97Å | 1.00Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | N15 | 124.1° | 121.0° |
| C14 | C13 | C12 | 119.4° | 119.0° |
| C14 | C13 | H6 | 120.3° | 120.5° |
| C13 | C14 | H7 | 118.0° | 119.5° |
| C14 | N15 | C16 | 116.0° | 122.0° |
| N15 | C14 | H7 | 117.9° | 119.5° |
| C13 | C12 | C3 | 121.1° | 120.9° |
| C13 | C12 | C17 | 118.6° | 118.2° |
| C12 | C13 | H6 | 120.3° | 120.5° |
| C1 | C2 | C3 | 119.4° | 119.9° |
| C2 | C1 | C6 | 120.1° | 118.1° |
| C2 | C1 | H1 | 120.0° | 120.9° |
| C1 | C2 | H2 | 120.3° | 120.0° |
| C2 | C3 | C12 | 121.8° | 119.2° |
| C2 | C3 | N4 | 121.5° | 121.5° |
| C3 | C2 | H2 | 120.3° | 120.1° |
| N15 | C16 | C17 | 124.2° | 120.8° |
| N15 | C16 | F18 | 115.7° | 119.6° |
| C1 | C6 | N7 | 118.8° | 121.9° |
| C1 | C6 | C5 | 118.3° | 119.1° |
| C6 | C1 | H1 | 120.0° | 121.0° |
| C3 | C12 | C17 | 120.2° | 120.9° |
| C12 | C3 | N4 | 116.5° | 119.3° |
| C12 | C17 | C16 | 117.7° | 119.0° |
| C12 | C17 | H8 | 121.2° | 120.5° |
| C3 | N4 | C5 | 121.2° | 121.0° |
| C17 | C16 | F18 | 119.9° | 119.6° |
| C16 | C17 | H8 | 121.1° | 120.5° |
| N7 | C6 | C5 | 122.9° | 119.0° |
| C6 | N7 | C8 | 115.4° | 120.5° |
| C6 | C5 | N4 | 119.5° | 120.4° |
| C6 | C5 | C10 | 116.6° | 117.9° |
| N7 | C8 | N9 | 128.4° | 122.9° |
| N7 | C8 | H3 | 115.8° | 118.5° |
| N4 | C5 | C10 | 123.9° | 121.8° |
| C5 | C10 | N9 | 118.8° | 118.3° |
| C5 | C10 | N11 | 120.2° | 120.9° |
| C8 | N9 | C10 | 117.8° | 121.6° |
| N9 | C8 | H3 | 115.8° | 118.6° |
| N9 | C10 | N11 | 120.8° | 120.8° |
| C10 | N11 | H4 | 109.5° | 119.9° |
| C10 | N11 | H5 | 109.4° | 120.0° |
| H4 | N11 | H5 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | N15 | H7 | 180.0° | 180.0° |
| C14 | C13 | C12 | H6 | 180.0° | 180.0° |
| C13 | C14 | N15 | C16 | 0.2° | 0.0° |
| C14 | C13 | C12 | C3 | 175.1° | 180.0° |
| C14 | C13 | C12 | C17 | 2.2° | 0.2° |
| N15 | C14 | C13 | C12 | 2.0° | 0.0° |
| C14 | N15 | C16 | C17 | 2.3° | 0.3° |
| C14 | N15 | C16 | F18 | 172.6° | 180.0° |
| N15 | C14 | C13 | H6 | 177.9° | 180.0° |
| C13 | C12 | C3 | C2 | 20.6° | 0.3° |
| C13 | C12 | C3 | C17 | 177.2° | 179.8° |
| C13 | C12 | C3 | N4 | 163.8° | 179.8° |
| C13 | C12 | C17 | C16 | 0.3° | 0.5° |
| C12 | C13 | C14 | H7 | 178.0° | 180.0° |
| C13 | C12 | C17 | H8 | 179.7° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | C12 | 173.3° | 180.0° |
| C1 | C2 | C3 | N4 | 2.1° | 0.1° |
| C2 | C1 | C6 | N7 | 179.0° | 179.8° |
| C2 | C1 | C6 | C5 | 0.5° | 0.0° |
| C3 | C2 | C1 | C6 | 1.4° | 0.1° |
| C2 | C3 | C12 | N4 | 175.7° | 180.0° |
| C2 | C3 | C12 | C17 | 156.7° | 180.0° |
| C2 | C3 | N4 | C5 | 0.8° | 0.0° |
| C3 | C2 | C1 | H1 | 178.6° | 179.7° |
| N15 | C16 | C17 | C12 | 2.1° | 0.5° |
| N15 | C16 | C17 | F18 | 174.7° | 179.8° |
| C16 | N15 | C14 | H7 | 179.8° | 180.0° |
| N15 | C16 | C17 | H8 | 177.9° | 179.7° |
| C1 | C6 | N7 | C5 | 178.4° | 179.8° |
| C1 | C6 | N7 | C8 | 177.6° | 180.0° |
| C1 | C6 | C5 | N4 | 1.8° | 0.0° |
| C1 | C6 | C5 | C10 | 175.6° | 180.0° |
| C6 | C1 | C2 | H2 | 178.6° | 180.0° |
| C3 | C12 | C17 | C16 | 177.0° | 179.8° |
| C12 | C3 | N4 | C5 | 174.9° | 180.0° |
| C12 | C3 | C2 | H2 | 6.6° | 0.0° |
| C3 | C12 | C13 | H6 | 4.9° | 0.0° |
| C3 | C12 | C17 | H8 | 3.0° | 0.0° |
| C17 | C12 | C3 | N4 | 19.0° | 0.0° |
| C12 | C17 | C16 | H8 | 180.0° | 179.8° |
| C12 | C17 | C16 | F18 | 172.6° | 179.8° |
| C17 | C12 | C13 | H6 | 177.8° | 179.8° |
| C3 | N4 | C5 | C6 | 1.2° | 0.0° |
| C3 | N4 | C5 | C10 | 176.1° | 180.0° |
| N4 | C3 | C2 | H2 | 177.9° | 180.0° |
| F18 | C16 | C17 | H8 | 7.4° | 0.0° |
| N7 | C6 | C5 | N4 | 179.8° | 179.8° |
| N7 | C6 | C5 | C10 | 2.7° | 0.2° |
| C6 | N7 | C8 | N9 | 0.9° | 0.0° |
| N7 | C6 | C1 | H1 | 1.1° | 0.0° |
| C6 | N7 | C8 | H3 | 179.1° | 180.0° |
| C5 | C6 | N7 | C8 | 0.8° | 0.2° |
| C6 | C5 | N4 | C10 | 177.3° | 180.0° |
| C6 | C5 | C10 | N9 | 3.1° | 0.0° |
| C6 | C5 | C10 | N11 | 171.9° | 180.0° |
| C5 | C6 | C1 | H1 | 179.5° | 179.8° |
| N7 | C8 | N9 | H3 | 180.0° | 179.9° |
| N7 | C8 | N9 | C10 | 0.4° | 0.2° |
| N4 | C5 | C10 | N9 | 179.5° | 179.9° |
| N4 | C5 | C10 | N11 | 5.4° | 0.0° |
| C5 | C10 | N9 | C8 | 1.7° | 0.1° |
| C5 | C10 | N9 | N11 | 175.0° | 179.9° |
| C5 | C10 | N11 | H4 | 174.9° | 0.1° |
| C5 | C10 | N11 | H5 | 65.0° | 180.0° |
| C8 | N9 | C10 | N11 | 173.3° | 179.8° |
| C10 | N9 | C8 | H3 | 179.6° | 179.8° |
| N9 | C10 | N11 | H4 | 0.0° | 180.0° |
| N9 | C10 | N11 | H5 | 120.0° | 0.1° |
| C10 | N11 | H4 | H5 | 120.0° | 179.9° |
| H1 | C1 | C2 | H2 | 1.4° | 0.2° |
| H6 | C13 | C14 | H7 | 2.0° | 0.0° |
