AXK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL7 | C26 | sing | 1.74Å | 1.73Å | |
| CL8 | C22 | sing | 1.74Å | 1.73Å | |
| C26 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C19 | sing | 1.51Å | 1.50Å | |
| O20 | C19 | sing | 1.43Å | 1.43Å | |
| C19 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| O18 | C13 | sing | 1.43Å | 1.41Å | |
| C4 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C6 | sing | 1.48Å | 1.44Å | |
| C8 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C13 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | P14 | sing | 1.82Å | 1.81Å | |
| O17 | P14 | doub | 1.48Å | 1.61Å | |
| C5 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| P14 | O15 | sing | 1.61Å | 1.50Å | |
| P14 | O16 | sing | 1.61Å | 1.62Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| O15 | H10 | sing | 0.97Å | 0.95Å | |
| O16 | H11 | sing | 0.97Å | 0.95Å | |
| O18 | H12 | sing | 0.97Å | 0.95Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| O20 | H14 | sing | 0.97Å | 0.95Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL7 | C26 | C22 | 120.6° | 120.1° |
| CL7 | C26 | C25 | 119.5° | 120.0° |
| CL8 | C22 | C26 | 119.5° | 120.0° |
| CL8 | C22 | C23 | 120.5° | 120.0° |
| C22 | C26 | C25 | 120.0° | 120.0° |
| C26 | C22 | C23 | 120.0° | 120.0° |
| C26 | C25 | C21 | 120.6° | 120.0° |
| C26 | C25 | H17 | 119.7° | 120.0° |
| C22 | C23 | C24 | 119.5° | 120.0° |
| C22 | C23 | H15 | 120.3° | 120.1° |
| C25 | C21 | C24 | 118.9° | 120.0° |
| C25 | C21 | C19 | 118.3° | 120.0° |
| C21 | C25 | H17 | 119.7° | 120.0° |
| C23 | C24 | C21 | 121.0° | 120.0° |
| C24 | C23 | H15 | 120.2° | 119.9° |
| C23 | C24 | H16 | 119.5° | 120.0° |
| C24 | C21 | C19 | 122.7° | 120.0° |
| C21 | C24 | H16 | 119.5° | 120.0° |
| C21 | C19 | O20 | 111.8° | 109.5° |
| C21 | C19 | C10 | 112.5° | 109.5° |
| C21 | C19 | H13 | 106.0° | 109.4° |
| O20 | C19 | C10 | 113.4° | 109.5° |
| O20 | C19 | H13 | 106.7° | 109.4° |
| C19 | O20 | H14 | 109.5° | 114.0° |
| C19 | C10 | C7 | 119.5° | 119.9° |
| C19 | C10 | C9 | 122.4° | 119.9° |
| C10 | C19 | H13 | 105.9° | 109.5° |
| C7 | C10 | C9 | 118.1° | 120.2° |
| C10 | C7 | C8 | 121.7° | 119.8° |
| C10 | C7 | H8 | 119.1° | 120.1° |
| C10 | C9 | C12 | 121.4° | 120.2° |
| C10 | C9 | H4 | 119.3° | 119.9° |
| C7 | C8 | C6 | 119.4° | 120.1° |
| C7 | C8 | C11 | 118.8° | 119.8° |
| C8 | C7 | H8 | 119.2° | 120.0° |
| C9 | C12 | C11 | 119.4° | 120.2° |
| C12 | C9 | H4 | 119.3° | 119.9° |
| C9 | C12 | H6 | 120.3° | 120.0° |
| C4 | C3 | C6 | 120.8° | 119.8° |
| C3 | C4 | C1 | 119.8° | 120.1° |
| C3 | C4 | H2 | 120.1° | 119.9° |
| C4 | C3 | H7 | 119.6° | 120.1° |
| C3 | C6 | C8 | 120.5° | 120.1° |
| C3 | C6 | C5 | 119.2° | 119.8° |
| C6 | C3 | H7 | 119.6° | 120.1° |
| O18 | C13 | C1 | 108.4° | 109.5° |
| O18 | C13 | P14 | 105.0° | 109.5° |
| O18 | C13 | H9 | 110.1° | 109.5° |
| C13 | O18 | H12 | 109.5° | 114.0° |
| C4 | C1 | C13 | 121.3° | 119.9° |
| C4 | C1 | C2 | 119.9° | 120.3° |
| C1 | C4 | H2 | 120.1° | 120.0° |
| C6 | C8 | C11 | 121.8° | 120.1° |
| C8 | C6 | C5 | 120.3° | 120.1° |
| C8 | C11 | C12 | 120.6° | 119.8° |
| C8 | C11 | H5 | 119.7° | 120.1° |
| C6 | C5 | C2 | 120.0° | 119.9° |
| C6 | C5 | H3 | 120.0° | 120.1° |
| C12 | C11 | H5 | 119.7° | 120.1° |
| C11 | C12 | H6 | 120.3° | 119.9° |
| C13 | C1 | C2 | 118.8° | 119.9° |
| C1 | C13 | P14 | 118.7° | 109.5° |
| C1 | C13 | H9 | 108.9° | 109.5° |
| C1 | C2 | C5 | 120.3° | 120.1° |
| C1 | C2 | H1 | 119.8° | 119.9° |
| C13 | P14 | O17 | 107.6° | 109.5° |
| C13 | P14 | O15 | 110.1° | 109.5° |
| C13 | P14 | O16 | 104.5° | 109.5° |
| P14 | C13 | H9 | 105.6° | 109.5° |
| O17 | P14 | O15 | 115.1° | 109.5° |
| O17 | P14 | O16 | 101.1° | 109.5° |
| C5 | C2 | H1 | 119.9° | 120.0° |
| C2 | C5 | H3 | 120.0° | 120.0° |
| O15 | P14 | O16 | 117.4° | 109.5° |
| P14 | O15 | H10 | 109.5° | 114.0° |
| P14 | O16 | H11 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL7 | C26 | C22 | CL8 | 0.4° | 0.5° |
| CL7 | C26 | C22 | C25 | 179.5° | 179.8° |
| CL7 | C26 | C22 | C23 | 179.0° | 180.0° |
| CL7 | C26 | C25 | C21 | 179.8° | 179.7° |
| CL7 | C26 | C25 | H17 | 0.2° | 0.2° |
| CL8 | C22 | C26 | C23 | 179.4° | 179.5° |
| CL8 | C22 | C26 | C25 | 179.9° | 179.7° |
| CL8 | C22 | C23 | C24 | 179.5° | 180.0° |
| CL8 | C22 | C23 | H15 | 0.5° | 0.6° |
| C22 | C26 | C25 | C21 | 0.3° | 0.0° |
| C26 | C22 | C23 | C24 | 1.1° | 0.5° |
| C26 | C22 | C23 | H15 | 178.9° | 180.0° |
| C22 | C26 | C25 | H17 | 179.7° | 179.9° |
| C25 | C26 | C22 | C23 | 0.5° | 0.2° |
| C26 | C25 | C21 | H17 | 180.0° | 179.9° |
| C26 | C25 | C21 | C24 | 0.6° | 0.0° |
| C26 | C25 | C21 | C19 | 177.9° | 179.7° |
| C22 | C23 | C24 | H15 | 180.0° | 179.5° |
| C22 | C23 | C24 | C21 | 0.8° | 0.5° |
| C22 | C23 | C24 | H16 | 179.2° | 179.4° |
| C25 | C21 | C24 | C23 | 0.0° | 0.2° |
| C25 | C21 | C24 | C19 | 178.4° | 179.7° |
| C25 | C21 | C19 | O20 | 108.4° | 39.7° |
| C25 | C21 | C19 | C10 | 122.7° | 80.3° |
| C25 | C21 | C19 | H13 | 7.5° | 159.7° |
| C25 | C21 | C24 | H16 | 180.0° | 179.7° |
| C23 | C24 | C21 | H16 | 180.0° | 180.0° |
| C23 | C24 | C21 | C19 | 178.3° | 180.0° |
| C24 | C21 | C19 | O20 | 73.2° | 140.0° |
| C24 | C21 | C19 | C10 | 55.7° | 100.0° |
| C24 | C21 | C19 | H13 | 170.9° | 20.0° |
| C21 | C24 | C23 | H15 | 179.2° | 180.0° |
| C24 | C21 | C25 | H17 | 179.4° | 179.9° |
| C21 | C19 | O20 | C10 | 128.4° | 120.0° |
| C21 | C19 | O20 | H13 | 115.4° | 120.0° |
| C21 | C19 | C10 | H13 | 115.3° | 120.0° |
| C21 | C19 | C10 | C7 | 68.7° | 95.0° |
| C21 | C19 | C10 | C9 | 113.1° | 85.0° |
| C21 | C19 | O20 | H14 | 180.0° | 60.0° |
| C19 | C21 | C24 | H16 | 1.7° | 0.0° |
| C19 | C21 | C25 | H17 | 2.1° | 0.2° |
| O20 | C19 | C10 | H13 | 116.7° | 120.0° |
| O20 | C19 | C10 | C7 | 163.3° | 145.0° |
| O20 | C19 | C10 | C9 | 15.0° | 35.0° |
| C19 | C10 | C7 | C9 | 178.3° | 180.0° |
| C19 | C10 | C7 | C8 | 180.0° | 180.0° |
| C19 | C10 | C9 | C12 | 179.4° | 179.7° |
| C19 | C10 | C9 | H4 | 0.6° | 0.0° |
| C19 | C10 | C7 | H8 | 0.0° | 0.0° |
| C10 | C19 | O20 | H14 | 51.6° | 60.0° |
| C10 | C7 | C8 | H8 | 180.0° | 180.0° |
| C7 | C10 | C9 | C12 | 1.1° | 0.2° |
| C10 | C7 | C8 | C6 | 177.5° | 180.0° |
| C10 | C7 | C8 | C11 | 0.8° | 0.2° |
| C7 | C10 | C9 | H4 | 178.9° | 179.9° |
| C7 | C10 | C19 | H13 | 46.6° | 25.0° |
| C9 | C10 | C7 | C8 | 1.7° | 0.0° |
| C10 | C9 | C12 | H4 | 180.0° | 179.7° |
| C10 | C9 | C12 | C11 | 0.3° | 0.2° |
| C10 | C9 | C12 | H6 | 179.7° | 179.7° |
| C9 | C10 | C7 | H8 | 178.3° | 180.0° |
| C9 | C10 | C19 | H13 | 131.7° | 155.0° |
| C7 | C8 | C6 | C3 | 46.2° | 0.2° |
| C7 | C8 | C6 | C11 | 176.5° | 179.8° |
| C7 | C8 | C6 | C5 | 130.2° | 179.7° |
| C7 | C8 | C11 | C12 | 0.6° | 0.2° |
| C7 | C8 | C11 | H5 | 179.4° | 179.8° |
| C9 | C12 | C11 | C8 | 1.2° | 0.0° |
| C9 | C12 | C11 | H6 | 180.0° | 180.0° |
| C9 | C12 | C11 | H5 | 178.8° | 180.0° |
| C4 | C3 | C6 | H7 | 180.0° | 179.8° |
| C3 | C4 | C1 | H2 | 180.0° | 180.0° |
| C4 | C3 | C6 | C8 | 176.3° | 179.7° |
| C4 | C3 | C6 | C5 | 0.1° | 0.2° |
| C3 | C4 | C1 | C13 | 178.8° | 180.0° |
| C3 | C4 | C1 | C2 | 0.1° | 0.0° |
| C6 | C3 | C4 | C1 | 0.3° | 0.2° |
| C3 | C6 | C8 | C5 | 176.3° | 179.9° |
| C3 | C6 | C8 | C11 | 137.3° | 180.0° |
| C3 | C6 | C5 | C2 | 0.5° | 0.1° |
| C6 | C3 | C4 | H2 | 179.7° | 179.8° |
| C3 | C6 | C5 | H3 | 179.5° | 180.0° |
| O18 | C13 | C1 | C4 | 50.0° | 30.0° |
| O18 | C13 | C1 | P14 | 119.5° | 120.0° |
| O18 | C13 | C1 | H9 | 119.8° | 120.1° |
| O18 | C13 | C1 | C2 | 129.0° | 150.0° |
| O18 | C13 | P14 | H9 | 116.3° | 120.1° |
| O18 | C13 | P14 | O17 | 54.8° | 60.0° |
| O18 | C13 | P14 | O15 | 71.4° | 180.0° |
| O18 | C13 | P14 | O16 | 161.7° | 60.0° |
| C4 | C1 | C13 | C2 | 179.0° | 180.0° |
| C4 | C1 | C13 | P14 | 69.5° | 90.0° |
| C4 | C1 | C2 | C5 | 0.7° | 0.3° |
| C4 | C1 | C2 | H1 | 179.2° | 179.9° |
| C1 | C4 | C3 | H7 | 179.7° | 180.0° |
| C4 | C1 | C13 | H9 | 169.8° | 150.0° |
| C6 | C8 | C11 | C12 | 175.9° | 180.0° |
| C8 | C6 | C5 | C2 | 176.9° | 180.0° |
| C8 | C6 | C5 | H3 | 3.1° | 0.1° |
| C6 | C8 | C11 | H5 | 4.1° | 0.0° |
| C8 | C6 | C3 | H7 | 3.7° | 0.1° |
| C6 | C8 | C7 | H8 | 2.5° | 0.0° |
| C11 | C8 | C6 | C5 | 46.3° | 0.0° |
| C8 | C11 | C12 | H5 | 180.0° | 180.0° |
| C8 | C11 | C12 | H6 | 178.8° | 180.0° |
| C11 | C8 | C7 | H8 | 179.2° | 179.8° |
| C6 | C5 | C2 | C1 | 0.9° | 0.3° |
| C6 | C5 | C2 | H3 | 180.0° | 179.9° |
| C6 | C5 | C2 | H1 | 179.1° | 179.9° |
| C5 | C6 | C3 | H7 | 179.9° | 180.0° |
| C11 | C12 | C9 | H4 | 179.7° | 179.9° |
| C1 | C13 | P14 | H9 | 122.4° | 120.0° |
| C1 | C13 | P14 | O17 | 66.4° | 60.0° |
| C13 | C1 | C2 | C5 | 178.2° | 179.7° |
| C1 | C13 | P14 | O15 | 167.3° | 60.0° |
| C1 | C13 | P14 | O16 | 40.4° | 180.0° |
| C13 | C1 | C2 | H1 | 1.8° | 0.1° |
| C13 | C1 | C4 | H2 | 1.1° | 0.0° |
| C1 | C13 | O18 | H12 | 100.7° | 60.0° |
| C2 | C1 | C13 | P14 | 111.5° | 90.0° |
| C1 | C2 | C5 | H1 | 180.0° | 179.6° |
| C2 | C1 | C4 | H2 | 179.9° | 180.0° |
| C1 | C2 | C5 | H3 | 179.1° | 179.7° |
| C2 | C1 | C13 | H9 | 9.2° | 30.0° |
| C13 | P14 | O17 | O15 | 123.2° | 120.0° |
| C13 | P14 | O17 | O16 | 109.2° | 120.0° |
| C13 | P14 | O15 | O16 | 119.3° | 120.0° |
| C13 | P14 | O15 | H10 | 121.9° | 60.0° |
| C13 | P14 | O16 | H11 | 111.7° | 180.0° |
| P14 | C13 | O18 | H12 | 27.1° | 59.9° |
| O17 | P14 | O15 | O16 | 118.8° | 120.0° |
| O17 | P14 | C13 | H9 | 171.1° | 180.0° |
| O17 | P14 | O15 | H10 | 0.0° | 180.0° |
| O17 | P14 | O16 | H11 | 0.0° | 60.0° |
| O15 | P14 | C13 | H9 | 44.9° | 60.0° |
| O15 | P14 | O16 | H11 | 126.1° | 60.0° |
| O16 | P14 | C13 | H9 | 82.0° | 60.0° |
| O16 | P14 | O15 | H10 | 118.8° | 60.0° |
| H1 | C2 | C5 | H3 | 0.9° | 0.1° |
| H2 | C4 | C3 | H7 | 0.3° | 0.0° |
| H4 | C9 | C12 | H6 | 0.3° | 0.0° |
| H5 | C11 | C12 | H6 | 1.2° | 0.0° |
| H9 | C13 | O18 | H12 | 140.2° | 180.0° |
| H13 | C19 | O20 | H14 | 64.6° | 180.0° |
| H15 | C23 | C24 | H16 | 0.8° | 0.0° |
