D0A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N15 | C14 | doub | 1.32Å | 1.33Å | Aromatic |
| N15 | C16 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | F18 | sing | 1.35Å | 1.36Å | |
| C20 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | N10 | sing | 1.39Å | 1.40Å | |
| C19 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| F27 | C24 | sing | 1.40Å | 1.35Å | |
| C22 | C24 | sing | 1.51Å | 1.51Å | |
| C22 | N23 | doub | 1.32Å | 1.34Å | Aromatic |
| F26 | C24 | sing | 1.40Å | 1.31Å | |
| N10 | C6 | sing | 1.39Å | 1.36Å | |
| C24 | F25 | sing | 1.40Å | 1.34Å | |
| C11 | N23 | sing | 1.33Å | 1.35Å | Aromatic |
| C11 | C4 | sing | 1.48Å | 1.49Å | |
| N5 | C6 | doub | 1.33Å | 1.33Å | Aromatic |
| N5 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.43Å | Aromatic |
| C4 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C1 | C2 | doub | 1.41Å | 1.44Å | Aromatic |
| C1 | C7 | sing | 1.46Å | 1.44Å | Aromatic |
| N3 | C2 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | N9 | sing | 1.37Å | 1.36Å | Aromatic |
| C7 | C8 | doub | 1.34Å | 1.36Å | Aromatic |
| N9 | C8 | sing | 1.37Å | 1.37Å | Aromatic |
| C13 | H32 | sing | 1.08Å | 1.08Å | |
| C16 | H34 | sing | 1.08Å | 1.08Å | |
| C19 | H35 | sing | 1.08Å | 1.08Å | |
| C20 | H36 | sing | 1.08Å | 1.08Å | |
| C21 | H37 | sing | 1.08Å | 1.08Å | |
| C7 | H28 | sing | 1.08Å | 1.08Å | |
| C8 | H29 | sing | 1.08Å | 1.08Å | |
| N9 | H30 | sing | 0.97Å | 1.00Å | |
| N10 | H31 | sing | 0.97Å | 1.00Å | |
| C14 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | N15 | C16 | 117.3° | 122.0° |
| N15 | C14 | C13 | 123.8° | 120.9° |
| N15 | C14 | H33 | 118.1° | 119.6° |
| N15 | C16 | C17 | 123.2° | 120.8° |
| N15 | C16 | H34 | 118.4° | 119.6° |
| C14 | C13 | C12 | 118.7° | 119.1° |
| C14 | C13 | H32 | 120.6° | 120.4° |
| C13 | C14 | H33 | 118.1° | 119.5° |
| C16 | C17 | C12 | 119.2° | 119.0° |
| C16 | C17 | F18 | 122.9° | 120.5° |
| C17 | C16 | H34 | 118.4° | 119.6° |
| C13 | C12 | C17 | 117.7° | 118.3° |
| C13 | C12 | N10 | 123.0° | 120.9° |
| C12 | C13 | H32 | 120.6° | 120.5° |
| C12 | C17 | F18 | 117.7° | 120.5° |
| C17 | C12 | N10 | 119.2° | 120.9° |
| C21 | C20 | C19 | 119.5° | 118.5° |
| C20 | C21 | C22 | 118.7° | 119.3° |
| C21 | C20 | H36 | 120.3° | 120.7° |
| C20 | C21 | H37 | 120.7° | 120.3° |
| C20 | C19 | C11 | 118.9° | 119.1° |
| C20 | C19 | H35 | 120.5° | 120.5° |
| C19 | C20 | H36 | 120.2° | 120.7° |
| C21 | C22 | C24 | 122.4° | 119.5° |
| C21 | C22 | N23 | 122.6° | 120.9° |
| C22 | C21 | H37 | 120.7° | 120.3° |
| C12 | N10 | C6 | 127.3° | 120.0° |
| C12 | N10 | H31 | 116.4° | 120.0° |
| C19 | C11 | N23 | 121.8° | 120.5° |
| C19 | C11 | C4 | 118.9° | 119.8° |
| C11 | C19 | H35 | 120.5° | 120.4° |
| F27 | C24 | C22 | 112.1° | 109.5° |
| F27 | C24 | F26 | 107.3° | 109.5° |
| F27 | C24 | F25 | 107.5° | 109.5° |
| C24 | C22 | N23 | 114.7° | 119.5° |
| C22 | C24 | F26 | 110.8° | 109.5° |
| C22 | C24 | F25 | 112.7° | 109.5° |
| C22 | N23 | C11 | 118.4° | 121.6° |
| F26 | C24 | F25 | 106.1° | 109.5° |
| N10 | C6 | N5 | 118.4° | 120.7° |
| N10 | C6 | C1 | 119.7° | 120.8° |
| C6 | N10 | H31 | 116.4° | 120.0° |
| N23 | C11 | C4 | 119.3° | 119.7° |
| C11 | C4 | N5 | 116.0° | 118.8° |
| C11 | C4 | N3 | 118.5° | 118.7° |
| C6 | N5 | C4 | 119.4° | 120.9° |
| N5 | C6 | C1 | 121.9° | 118.5° |
| N5 | C4 | N3 | 125.4° | 122.5° |
| C6 | C1 | C2 | 113.2° | 118.8° |
| C6 | C1 | C7 | 139.7° | 135.0° |
| C4 | N3 | C2 | 115.3° | 120.7° |
| C2 | C1 | C7 | 107.1° | 106.2° |
| C1 | C2 | N3 | 124.5° | 118.6° |
| C1 | C2 | N9 | 105.8° | 107.2° |
| C1 | C7 | C8 | 106.4° | 106.8° |
| C1 | C7 | H28 | 126.8° | 126.6° |
| N3 | C2 | N9 | 129.6° | 134.3° |
| C2 | N9 | C8 | 110.5° | 110.0° |
| C2 | N9 | H30 | 124.8° | 125.0° |
| C7 | C8 | N9 | 110.2° | 109.8° |
| C8 | C7 | H28 | 126.8° | 126.6° |
| C7 | C8 | H29 | 124.9° | 125.1° |
| N9 | C8 | H29 | 124.9° | 125.1° |
| C8 | N9 | H30 | 124.8° | 125.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N15 | C14 | C13 | H33 | 180.0° | 180.0° |
| C14 | N15 | C16 | C17 | 1.6° | 0.3° |
| N15 | C14 | C13 | C12 | 0.8° | 0.0° |
| N15 | C14 | C13 | H32 | 179.2° | 179.7° |
| C14 | N15 | C16 | H34 | 178.4° | 179.8° |
| C16 | N15 | C14 | C13 | 0.1° | 0.0° |
| N15 | C16 | C17 | H34 | 180.0° | 179.5° |
| N15 | C16 | C17 | C12 | 2.2° | 0.6° |
| N15 | C16 | C17 | F18 | 172.5° | 179.9° |
| C16 | N15 | C14 | H33 | 180.0° | 180.0° |
| C14 | C13 | C12 | H32 | 180.0° | 179.7° |
| C14 | C13 | C12 | C17 | 0.2° | 0.3° |
| C14 | C13 | C12 | N10 | 175.8° | 179.7° |
| C16 | C17 | C12 | C13 | 1.2° | 0.6° |
| C16 | C17 | C12 | F18 | 175.0° | 179.3° |
| C16 | C17 | C12 | N10 | 177.4° | 179.5° |
| C13 | C12 | C17 | N10 | 176.2° | 179.9° |
| C13 | C12 | C17 | F18 | 173.7° | 179.9° |
| C13 | C12 | N10 | C6 | 13.7° | 17.1° |
| C13 | C12 | N10 | H31 | 166.3° | 162.8° |
| C12 | C13 | C14 | H33 | 179.2° | 180.0° |
| C17 | C12 | N10 | C6 | 170.3° | 162.9° |
| C17 | C12 | C13 | H32 | 179.8° | 180.0° |
| C12 | C17 | C16 | H34 | 177.8° | 179.9° |
| C17 | C12 | N10 | H31 | 9.7° | 17.1° |
| F18 | C17 | C12 | N10 | 2.4° | 0.1° |
| F18 | C17 | C16 | H34 | 7.6° | 0.6° |
| C21 | C20 | C19 | H36 | 180.0° | 180.0° |
| C20 | C21 | C22 | H37 | 180.0° | 179.9° |
| C21 | C20 | C19 | C11 | 0.2° | 0.0° |
| C20 | C21 | C22 | C24 | 172.7° | 180.0° |
| C20 | C21 | C22 | N23 | 1.3° | 0.0° |
| C21 | C20 | C19 | H35 | 179.9° | 179.7° |
| C19 | C20 | C21 | C22 | 0.3° | 0.0° |
| C20 | C19 | C11 | H35 | 180.0° | 179.7° |
| C20 | C19 | C11 | N23 | 0.3° | 0.0° |
| C20 | C19 | C11 | C4 | 177.4° | 179.8° |
| C19 | C20 | C21 | H37 | 179.6° | 180.0° |
| C21 | C22 | C24 | F27 | 7.3° | 30.0° |
| C21 | C22 | C24 | N23 | 174.4° | 180.0° |
| C21 | C22 | C24 | F26 | 112.6° | 150.0° |
| C21 | C22 | C24 | F25 | 128.7° | 90.1° |
| C21 | C22 | N23 | C11 | 1.8° | 0.1° |
| C22 | C21 | C20 | H36 | 179.7° | 179.9° |
| C12 | N10 | C6 | H31 | 180.0° | 180.0° |
| C12 | N10 | C6 | N5 | 27.7° | 6.6° |
| C12 | N10 | C6 | C1 | 150.9° | 173.8° |
| N10 | C12 | C13 | H32 | 4.2° | 0.0° |
| C19 | C11 | N23 | C22 | 1.2° | 0.1° |
| C19 | C11 | N23 | C4 | 177.7° | 179.8° |
| C19 | C11 | C4 | N5 | 26.4° | 180.0° |
| C19 | C11 | C4 | N3 | 156.1° | 0.0° |
| C11 | C19 | C20 | H36 | 179.8° | 179.9° |
| F27 | C24 | C22 | F26 | 119.9° | 120.0° |
| F27 | C24 | C22 | F25 | 121.5° | 120.0° |
| F27 | C24 | C22 | N23 | 178.3° | 150.0° |
| F27 | C24 | F26 | F25 | 114.7° | 120.0° |
| C22 | C24 | F26 | F25 | 122.6° | 120.0° |
| C24 | C22 | N23 | C11 | 172.7° | 180.0° |
| C24 | C22 | C21 | H37 | 7.3° | 0.0° |
| N23 | C22 | C24 | F26 | 61.9° | 30.0° |
| N23 | C22 | C24 | F25 | 56.8° | 90.0° |
| C22 | N23 | C11 | C4 | 176.5° | 179.8° |
| N23 | C22 | C21 | H37 | 178.6° | 180.0° |
| N10 | C6 | N5 | C1 | 178.6° | 179.6° |
| N10 | C6 | N5 | C4 | 176.1° | 180.0° |
| N10 | C6 | C1 | C2 | 180.0° | 180.0° |
| N10 | C6 | C1 | C7 | 0.5° | 0.3° |
| N23 | C11 | C4 | N5 | 151.3° | 0.1° |
| N23 | C11 | C4 | N3 | 26.1° | 179.8° |
| N23 | C11 | C19 | H35 | 179.7° | 179.8° |
| C11 | C4 | N5 | C6 | 172.9° | 179.8° |
| C11 | C4 | N5 | N3 | 177.3° | 179.9° |
| C11 | C4 | N3 | C2 | 175.4° | 180.0° |
| C4 | C11 | C19 | H35 | 2.6° | 0.1° |
| C6 | N5 | C4 | N3 | 4.4° | 0.2° |
| N5 | C6 | C1 | C2 | 1.4° | 0.4° |
| N5 | C6 | C1 | C7 | 179.1° | 179.8° |
| N5 | C6 | N10 | H31 | 152.3° | 173.4° |
| C4 | N5 | C6 | C1 | 2.5° | 0.4° |
| N5 | C4 | N3 | C2 | 1.8° | 0.0° |
| C6 | C1 | C2 | C7 | 179.7° | 179.8° |
| C6 | C1 | C2 | N3 | 4.1° | 0.2° |
| C6 | C1 | C2 | N9 | 177.4° | 179.8° |
| C6 | C1 | C7 | C8 | 178.0° | 179.8° |
| C6 | C1 | C7 | H28 | 2.0° | 0.3° |
| C1 | C6 | N10 | H31 | 29.0° | 6.1° |
| C4 | N3 | C2 | C1 | 2.7° | 0.0° |
| C4 | N3 | C2 | N9 | 179.2° | 180.0° |
| C1 | C2 | N3 | N9 | 178.1° | 180.0° |
| C2 | C1 | C7 | C8 | 1.5° | 0.0° |
| C1 | C2 | N9 | C8 | 2.2° | 0.0° |
| C2 | C1 | C7 | H28 | 178.5° | 180.0° |
| C1 | C2 | N9 | H30 | 177.8° | 179.9° |
| C7 | C1 | C2 | N3 | 176.2° | 180.0° |
| C7 | C1 | C2 | N9 | 2.3° | 0.0° |
| C1 | C7 | C8 | H28 | 180.0° | 180.0° |
| C1 | C7 | C8 | N9 | 0.2° | 0.0° |
| C1 | C7 | C8 | H29 | 179.8° | 179.9° |
| N3 | C2 | N9 | C8 | 176.2° | 179.9° |
| N3 | C2 | N9 | H30 | 3.8° | 0.1° |
| C2 | N9 | C8 | C7 | 1.3° | 0.0° |
| C2 | N9 | C8 | H30 | 180.0° | 179.9° |
| C2 | N9 | C8 | H29 | 178.7° | 179.9° |
| C7 | C8 | N9 | H29 | 180.0° | 179.9° |
| C7 | C8 | N9 | H30 | 178.7° | 179.9° |
| N9 | C8 | C7 | H28 | 179.8° | 180.0° |
| H32 | C13 | C14 | H33 | 0.8° | 0.3° |
| H35 | C19 | C20 | H36 | 0.1° | 0.2° |
| H36 | C20 | C21 | H37 | 0.3° | 0.0° |
| H28 | C7 | C8 | H29 | 0.2° | 0.1° |
| H29 | C8 | N9 | H30 | 1.3° | 0.0° |
