AK7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N29 | C2 | sing | 1.39Å | 1.36Å | |
| N29 | HN29 | sing | 0.97Å | 1.00Å | |
| N29 | HN2A | sing | 0.97Å | 1.00Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| O18 | C16 | doub | 1.22Å | 1.22Å | |
| C16 | N17 | sing | 1.35Å | 1.34Å | |
| C16 | N15 | sing | 1.35Å | 1.34Å | |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| S11 | C12 | sing | 1.71Å | 1.66Å | Aromatic |
| C12 | N15 | sing | 1.39Å | 1.34Å | |
| C12 | N13 | doub | 1.30Å | 1.33Å | Aromatic |
| C10 | C14 | doub | 1.33Å | 1.26Å | Aromatic |
| C14 | N13 | sing | 1.32Å | 1.21Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| S11 | C10 | sing | 1.76Å | 1.67Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| N7 | C8 | sing | 1.46Å | 1.46Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| N3 | C4 | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| N7 | C6 | sing | 1.39Å | 1.36Å | |
| C6 | N5 | doub | 1.33Å | 1.36Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| BR30 | C1 | sing | 1.89Å | 1.89Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| C19 | N17 | sing | 1.40Å | 1.41Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| C21 | C25 | sing | 1.51Å | 1.50Å | |
| F27 | C25 | sing | 1.40Å | 1.32Å | |
| C25 | F26 | sing | 1.40Å | 1.32Å | |
| C25 | F28 | sing | 1.40Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N29 | HN29 | 109.5° | 120.0° |
| C2 | N29 | HN2A | 109.5° | 120.0° |
| N29 | C2 | C1 | 120.4° | 120.5° |
| N29 | C2 | N3 | 119.8° | 120.5° |
| HN29 | N29 | HN2A | 109.4° | 120.0° |
| C23 | C24 | C19 | 120.7° | 119.9° |
| C23 | C24 | H24 | 119.6° | 120.0° |
| C24 | C23 | C22 | 119.8° | 120.0° |
| C24 | C23 | H23 | 120.1° | 119.9° |
| C19 | C24 | H24 | 119.6° | 120.1° |
| C24 | C19 | C20 | 119.3° | 119.9° |
| C24 | C19 | N17 | 121.8° | 120.0° |
| C22 | C23 | H23 | 120.1° | 120.0° |
| C23 | C22 | C21 | 120.0° | 120.2° |
| C23 | C22 | H22 | 120.0° | 119.9° |
| C21 | C22 | H22 | 120.0° | 119.9° |
| C22 | C21 | C20 | 120.2° | 120.1° |
| C22 | C21 | C25 | 118.9° | 120.0° |
| O18 | C16 | N17 | 121.6° | 120.0° |
| O18 | C16 | N15 | 121.0° | 120.0° |
| N17 | C16 | N15 | 115.6° | 120.0° |
| C16 | N17 | C19 | 125.6° | 120.0° |
| C16 | N17 | HN17 | 117.2° | 120.0° |
| C16 | N15 | C12 | 124.9° | 120.0° |
| C16 | N15 | HN15 | 117.5° | 120.0° |
| C21 | C20 | C19 | 120.0° | 119.9° |
| C21 | C20 | H20 | 120.0° | 120.0° |
| C20 | C21 | C25 | 120.9° | 119.9° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C20 | C19 | N17 | 118.8° | 120.1° |
| S11 | C12 | N15 | 124.9° | 124.9° |
| S11 | C12 | N13 | 112.8° | 110.1° |
| C12 | S11 | C10 | 85.0° | 90.3° |
| N15 | C12 | N13 | 122.3° | 124.9° |
| C12 | N15 | HN15 | 117.6° | 120.0° |
| C12 | N13 | C14 | 112.8° | 116.9° |
| C10 | C14 | N13 | 114.3° | 114.5° |
| C10 | C14 | H14 | 122.9° | 122.7° |
| C14 | C10 | C9 | 122.9° | 125.9° |
| C14 | C10 | S11 | 115.1° | 108.1° |
| N13 | C14 | H14 | 122.9° | 122.7° |
| C9 | C10 | S11 | 122.0° | 126.0° |
| C10 | C9 | C8 | 109.4° | 109.5° |
| C10 | C9 | H9 | 109.5° | 109.5° |
| C10 | C9 | H9A | 109.5° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.4° |
| C8 | C9 | H9A | 109.5° | 109.5° |
| C9 | C8 | N7 | 107.6° | 109.5° |
| C9 | C8 | H8 | 110.1° | 109.4° |
| C9 | C8 | H8A | 110.5° | 109.4° |
| H9 | C9 | H9A | 109.4° | 109.5° |
| N7 | C8 | H8 | 110.1° | 109.5° |
| N7 | C8 | H8A | 110.5° | 109.5° |
| C8 | N7 | C6 | 121.0° | 120.0° |
| C8 | N7 | HN7 | 105.8° | 120.0° |
| H8 | C8 | H8A | 108.0° | 109.5° |
| N3 | C4 | N5 | 121.1° | 121.9° |
| N3 | C4 | H4 | 119.4° | 119.1° |
| C4 | N3 | C2 | 120.3° | 120.9° |
| N5 | C4 | H4 | 119.4° | 119.0° |
| C4 | N5 | C6 | 121.1° | 120.9° |
| C1 | C6 | N7 | 121.5° | 120.5° |
| C1 | C6 | N5 | 118.5° | 119.0° |
| C6 | C1 | C2 | 119.2° | 118.3° |
| C6 | C1 | BR30 | 122.5° | 120.9° |
| N7 | C6 | N5 | 120.0° | 120.5° |
| C6 | N7 | HN7 | 105.8° | 120.0° |
| C1 | C2 | N3 | 119.8° | 119.0° |
| C2 | C1 | BR30 | 118.3° | 120.9° |
| C19 | N17 | HN17 | 117.2° | 120.0° |
| C21 | C25 | F27 | 108.9° | 109.5° |
| C21 | C25 | F26 | 108.8° | 109.4° |
| C21 | C25 | F28 | 110.5° | 109.5° |
| F27 | C25 | F26 | 109.7° | 109.5° |
| F27 | C25 | F28 | 109.1° | 109.5° |
| F26 | C25 | F28 | 109.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N29 | HN29 | HN2A | 120.0° | 179.7° |
| N29 | C2 | N3 | C4 | 179.9° | 180.0° |
| N29 | C2 | C1 | C6 | 179.9° | 179.8° |
| N29 | C2 | C1 | N3 | 179.9° | 180.0° |
| N29 | C2 | C1 | BR30 | 0.0° | 0.0° |
| HN29 | N29 | C2 | C1 | 154.6° | 180.0° |
| HN29 | N29 | C2 | N3 | 25.3° | 0.0° |
| HN2A | N29 | C2 | C1 | 34.6° | 0.3° |
| HN2A | N29 | C2 | N3 | 145.3° | 179.7° |
| C23 | C24 | C19 | H24 | 180.0° | 179.8° |
| C24 | C23 | C22 | H23 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.4° | 0.1° |
| C24 | C23 | C22 | H22 | 179.6° | 180.0° |
| C23 | C24 | C19 | C20 | 0.1° | 0.2° |
| C23 | C24 | C19 | N17 | 179.7° | 179.7° |
| C19 | C24 | C23 | C22 | 0.2° | 0.1° |
| C19 | C24 | C23 | H23 | 179.8° | 179.9° |
| C24 | C19 | N17 | C16 | 0.9° | 35.1° |
| C24 | C19 | C20 | C21 | 0.1° | 0.5° |
| C24 | C19 | C20 | N17 | 179.7° | 180.0° |
| C24 | C19 | C20 | H20 | 179.9° | 180.0° |
| C24 | C19 | N17 | HN17 | 179.1° | 144.9° |
| H24 | C24 | C23 | C22 | 179.8° | 179.8° |
| H24 | C24 | C23 | H23 | 0.2° | 0.3° |
| H24 | C24 | C19 | C20 | 179.9° | 180.0° |
| H24 | C24 | C19 | N17 | 0.3° | 0.1° |
| C23 | C22 | C21 | H22 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.4° | 0.2° |
| C23 | C22 | C21 | C25 | 179.7° | 180.0° |
| H23 | C23 | C22 | C21 | 179.6° | 179.9° |
| H23 | C23 | C22 | H22 | 0.5° | 0.0° |
| C22 | C21 | C20 | C25 | 179.9° | 179.8° |
| C22 | C21 | C20 | C19 | 0.1° | 0.5° |
| C22 | C21 | C20 | H20 | 179.9° | 180.0° |
| C22 | C21 | C25 | F27 | 46.0° | 120.0° |
| C22 | C21 | C25 | F26 | 73.6° | 0.1° |
| C22 | C21 | C25 | F28 | 165.7° | 120.0° |
| H22 | C22 | C21 | C20 | 179.6° | 179.7° |
| H22 | C22 | C21 | C25 | 0.3° | 0.1° |
| O18 | C16 | N17 | N15 | 164.8° | 179.9° |
| O18 | C16 | N15 | C12 | 37.5° | 0.1° |
| O18 | C16 | N15 | HN15 | 142.5° | 180.0° |
| O18 | C16 | N17 | C19 | 11.5° | 4.6° |
| O18 | C16 | N17 | HN17 | 168.4° | 175.4° |
| C16 | N17 | C19 | C20 | 179.5° | 144.9° |
| N17 | C16 | N15 | C12 | 157.6° | 180.0° |
| N17 | C16 | N15 | HN15 | 22.4° | 0.1° |
| C16 | N17 | C19 | HN17 | 180.0° | 180.0° |
| C16 | N15 | C12 | S11 | 7.8° | 179.8° |
| C16 | N15 | C12 | HN15 | 180.0° | 179.9° |
| C16 | N15 | C12 | N13 | 172.6° | 0.0° |
| N15 | C16 | N17 | C19 | 176.4° | 175.3° |
| N15 | C16 | N17 | HN17 | 3.6° | 4.6° |
| C21 | C20 | C19 | H20 | 180.0° | 179.5° |
| C21 | C20 | C19 | N17 | 179.8° | 179.5° |
| C20 | C21 | C25 | F27 | 134.1° | 60.2° |
| C20 | C21 | C25 | F26 | 106.4° | 179.7° |
| C20 | C21 | C25 | F28 | 14.4° | 59.8° |
| C20 | C19 | N17 | HN17 | 0.5° | 35.1° |
| C19 | C20 | C21 | C25 | 180.0° | 179.7° |
| H20 | C20 | C19 | N17 | 0.2° | 0.0° |
| H20 | C20 | C21 | C25 | 0.0° | 0.2° |
| S11 | C12 | N15 | N13 | 179.6° | 179.8° |
| C12 | S11 | C10 | C14 | 0.1° | 0.2° |
| S11 | C12 | N13 | C14 | 0.0° | 0.2° |
| C12 | S11 | C10 | C9 | 180.0° | 179.9° |
| S11 | C12 | N15 | HN15 | 172.2° | 0.3° |
| N15 | C12 | N13 | C14 | 179.7° | 180.0° |
| N15 | C12 | S11 | C10 | 179.7° | 180.0° |
| C12 | N13 | C14 | C10 | 0.0° | 0.1° |
| C12 | N13 | C14 | H14 | 180.0° | 180.0° |
| N13 | C12 | S11 | C10 | 0.1° | 0.2° |
| N13 | C12 | N15 | HN15 | 7.4° | 179.9° |
| C10 | C14 | N13 | H14 | 180.0° | 179.9° |
| C14 | C10 | C9 | S11 | 179.9° | 179.9° |
| C14 | C10 | C9 | C8 | 116.8° | 90.1° |
| C14 | C10 | C9 | H9 | 3.2° | 150.0° |
| C14 | C10 | C9 | H9A | 123.1° | 30.0° |
| N13 | C14 | C10 | C9 | 180.0° | 180.0° |
| N13 | C14 | C10 | S11 | 0.1° | 0.1° |
| H14 | C14 | C10 | C9 | 0.0° | 0.1° |
| H14 | C14 | C10 | S11 | 179.9° | 179.8° |
| C10 | C9 | C8 | H9 | 120.0° | 120.0° |
| C10 | C9 | C8 | H9A | 120.0° | 120.1° |
| C10 | C9 | H9 | H9A | 120.0° | 120.1° |
| C10 | C9 | C8 | N7 | 172.7° | 180.0° |
| C10 | C9 | C8 | H8 | 52.7° | 60.0° |
| C10 | C9 | C8 | H8A | 66.5° | 60.0° |
| S11 | C10 | C9 | C8 | 63.0° | 89.9° |
| S11 | C10 | C9 | H9 | 176.9° | 30.1° |
| S11 | C10 | C9 | H9A | 57.0° | 150.1° |
| C8 | C9 | H9 | H9A | 120.0° | 120.0° |
| C9 | C8 | N7 | H8 | 120.0° | 120.0° |
| C9 | C8 | N7 | H8A | 120.8° | 120.0° |
| C9 | C8 | H8 | H8A | 120.8° | 120.0° |
| C9 | C8 | N7 | C6 | 95.0° | 180.0° |
| C9 | C8 | N7 | HN7 | 25.0° | 0.0° |
| H9 | C9 | C8 | N7 | 67.3° | 60.0° |
| H9 | C9 | C8 | H8 | 172.7° | 180.0° |
| H9 | C9 | C8 | H8A | 53.5° | 60.0° |
| H9A | C9 | C8 | N7 | 52.7° | 60.0° |
| H9A | C9 | C8 | H8 | 67.3° | 60.0° |
| H9A | C9 | C8 | H8A | 173.4° | 180.0° |
| N7 | C8 | H8 | H8A | 120.7° | 120.1° |
| C8 | N7 | C6 | C1 | 179.7° | 180.0° |
| C8 | N7 | C6 | HN7 | 120.0° | 180.0° |
| C8 | N7 | C6 | N5 | 0.6° | 0.0° |
| H8 | C8 | N7 | C6 | 145.0° | 60.0° |
| H8 | C8 | N7 | HN7 | 95.0° | 120.0° |
| H8A | C8 | N7 | C6 | 25.8° | 60.1° |
| H8A | C8 | N7 | HN7 | 145.8° | 120.0° |
| N3 | C4 | N5 | H4 | 180.0° | 179.7° |
| N3 | C4 | N5 | C6 | 0.1° | 0.2° |
| C4 | N3 | C2 | C1 | 0.0° | 0.0° |
| C4 | N5 | C6 | C1 | 0.1° | 0.0° |
| C4 | N5 | C6 | N7 | 179.8° | 180.0° |
| N5 | C4 | N3 | C2 | 0.1° | 0.2° |
| H4 | C4 | N5 | C6 | 179.9° | 180.0° |
| H4 | C4 | N3 | C2 | 179.9° | 180.0° |
| C1 | C6 | N7 | N5 | 179.7° | 180.0° |
| C6 | C1 | C2 | BR30 | 180.0° | 179.8° |
| C6 | C1 | C2 | N3 | 0.0° | 0.3° |
| C1 | C6 | N7 | HN7 | 60.3° | 0.0° |
| N7 | C6 | C1 | C2 | 179.7° | 179.7° |
| N7 | C6 | C1 | BR30 | 0.3° | 0.0° |
| N5 | C6 | C1 | C2 | 0.0° | 0.2° |
| N5 | C6 | C1 | BR30 | 179.9° | 180.0° |
| N5 | C6 | N7 | HN7 | 119.3° | 180.0° |
| N3 | C2 | C1 | BR30 | 180.0° | 180.0° |
| C21 | C25 | F27 | F26 | 119.0° | 120.0° |
| C21 | C25 | F27 | F28 | 120.6° | 120.0° |
| C21 | C25 | F26 | F28 | 121.1° | 120.0° |
| F27 | C25 | F26 | F28 | 119.9° | 120.0° |
