A1MAK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C3 | C12 | sing | 1.53Å | 1.53Å | |
| C3 | C13 | sing | 1.54Å | 1.53Å | |
| C4 | C7 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.52Å | |
| C10 | C14 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.50Å | 1.52Å | |
| C11 | C5 | sing | 1.53Å | 1.54Å | |
| C14 | O16 | sing | 1.43Å | 1.44Å | |
| C15 | C9 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.50Å | 1.50Å | |
| C8 | C9 | doub | 1.29Å | 1.32Å | |
| O16 | P17 | sing | 1.61Å | 1.62Å | |
| O18 | P17 | doub | 1.48Å | 1.52Å | |
| O19 | P17 | sing | 1.61Å | 1.51Å | |
| O20 | P17 | sing | 1.61Å | 1.52Å | |
| C3 | C4 | sing | 1.52Å | 1.56Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.12Å | 1.10Å | |
| C1 | H1B | sing | 1.10Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11C | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12C | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13C | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15C | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.08Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O19 | H9 | sing | 0.97Å | 0.95Å | |
| O20 | H11 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.53Å | 1.57Å | |
| C5 | C10 | sing | 1.54Å | 1.57Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 113.8° | 110.3° |
| C2 | C3 | C12 | 109.0° | 109.5° |
| C2 | C3 | C13 | 108.2° | 106.7° |
| C2 | C3 | C4 | 108.5° | 111.4° |
| C3 | C2 | H2B | 108.4° | 109.1° |
| C3 | C2 | H1 | 108.4° | 109.2° |
| C2 | C1 | C6 | 109.9° | 109.1° |
| C1 | C2 | H2B | 108.4° | 109.6° |
| C2 | C1 | H1B | 109.4° | 109.0° |
| C1 | C2 | H1 | 108.4° | 109.7° |
| C2 | C1 | H2 | 109.4° | 110.9° |
| C12 | C3 | C13 | 107.2° | 107.5° |
| C12 | C3 | C4 | 114.6° | 113.0° |
| C3 | C12 | H12B | 109.5° | 109.5° |
| C3 | C12 | H12A | 109.5° | 109.5° |
| C3 | C12 | H12C | 109.5° | 109.5° |
| C13 | C3 | C4 | 109.2° | 108.4° |
| C3 | C13 | H13A | 109.5° | 109.5° |
| C3 | C13 | H13C | 109.5° | 109.5° |
| C3 | C13 | H13B | 109.5° | 109.5° |
| C4 | C7 | C8 | 110.8° | 109.3° |
| C7 | C4 | C3 | 113.0° | 111.6° |
| C7 | C4 | H4 | 105.1° | 106.4° |
| C4 | C7 | H7B | 109.1° | 112.0° |
| C4 | C7 | H7A | 109.1° | 109.8° |
| C7 | C4 | C5 | 110.5° | 109.5° |
| C1 | C6 | C5 | 113.4° | 110.6° |
| C6 | C1 | H1B | 109.4° | 108.8° |
| C1 | C6 | H6B | 108.5° | 109.2° |
| C1 | C6 | H6A | 108.5° | 108.8° |
| C6 | C1 | H2 | 109.3° | 110.7° |
| C14 | C10 | C9 | 112.1° | 108.9° |
| C10 | C14 | O16 | 110.3° | 109.5° |
| C14 | C10 | H10 | 105.2° | 109.7° |
| C10 | C14 | H14A | 109.3° | 109.4° |
| C10 | C14 | H14B | 109.3° | 109.5° |
| C14 | C10 | C5 | 115.1° | 109.2° |
| C10 | C9 | C15 | 117.8° | 117.6° |
| C10 | C9 | C8 | 120.0° | 124.8° |
| C9 | C10 | H10 | 105.3° | 109.5° |
| C9 | C10 | C5 | 113.2° | 110.5° |
| C11 | C5 | C6 | 108.5° | 110.0° |
| C5 | C11 | H11B | 109.5° | 109.5° |
| C5 | C11 | H11A | 109.5° | 109.4° |
| C5 | C11 | H11C | 109.5° | 109.5° |
| C11 | C5 | C4 | 113.8° | 112.9° |
| C11 | C5 | C10 | 109.6° | 108.3° |
| C14 | O16 | P17 | 118.9° | 123.0° |
| O16 | C14 | H14A | 109.3° | 109.5° |
| O16 | C14 | H14B | 109.3° | 109.5° |
| C15 | C9 | C8 | 122.2° | 117.6° |
| C9 | C15 | H15B | 109.5° | 109.4° |
| C9 | C15 | H15A | 109.5° | 109.4° |
| C9 | C15 | H15C | 109.5° | 109.5° |
| C5 | C6 | H6B | 108.5° | 109.4° |
| C5 | C6 | H6A | 108.5° | 109.7° |
| C6 | C5 | C4 | 108.4° | 111.0° |
| C6 | C5 | C10 | 108.4° | 107.4° |
| C7 | C8 | C9 | 123.0° | 123.4° |
| C8 | C7 | H7B | 109.1° | 108.8° |
| C8 | C7 | H7A | 109.1° | 107.8° |
| C7 | C8 | H8 | 118.5° | 118.0° |
| C9 | C8 | H8 | 118.5° | 118.6° |
| O16 | P17 | O18 | 105.5° | 109.5° |
| O16 | P17 | O19 | 105.9° | 109.5° |
| O16 | P17 | O20 | 105.7° | 109.5° |
| O18 | P17 | O19 | 113.2° | 109.5° |
| O18 | P17 | O20 | 112.8° | 109.4° |
| O19 | P17 | O20 | 112.9° | 109.5° |
| P17 | O19 | H9 | 109.5° | 114.0° |
| P17 | O20 | H11 | 109.5° | 114.0° |
| C3 | C4 | H4 | 104.9° | 106.9° |
| C3 | C4 | C5 | 117.3° | 115.4° |
| H2B | C2 | H1 | 109.5° | 109.0° |
| H4 | C4 | C5 | 104.8° | 106.6° |
| H1B | C1 | H2 | 109.5° | 108.4° |
| H10 | C10 | C5 | 104.8° | 109.0° |
| H11B | C11 | H11A | 109.5° | 109.5° |
| H11B | C11 | H11C | 109.5° | 109.4° |
| H11A | C11 | H11C | 109.5° | 109.5° |
| H12B | C12 | H12A | 109.5° | 109.4° |
| H12B | C12 | H12C | 109.4° | 109.5° |
| H12A | C12 | H12C | 109.5° | 109.5° |
| H13A | C13 | H13C | 109.5° | 109.4° |
| H13A | C13 | H13B | 109.4° | 109.5° |
| H13C | C13 | H13B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.4° |
| H15B | C15 | H15A | 109.5° | 109.5° |
| H15B | C15 | H15C | 109.4° | 109.5° |
| H15A | C15 | H15C | 109.5° | 109.5° |
| H6B | C6 | H6A | 109.5° | 109.1° |
| H7B | C7 | H7A | 109.5° | 109.0° |
| C4 | C5 | C10 | 107.9° | 107.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2B | 120.6° | 120.2° |
| C3 | C2 | C1 | H1 | 120.6° | 120.3° |
| C2 | C3 | C12 | C13 | 116.9° | 115.6° |
| C2 | C3 | C12 | C4 | 121.8° | 124.9° |
| C2 | C3 | C13 | C4 | 117.9° | 120.1° |
| C2 | C3 | C4 | C7 | 178.5° | 174.0° |
| C3 | C2 | C1 | C6 | 59.3° | 61.6° |
| C3 | C2 | H2B | H1 | 118.0° | 119.1° |
| C2 | C3 | C4 | H4 | 67.6° | 70.0° |
| C3 | C2 | C1 | H1B | 179.3° | 179.7° |
| C2 | C3 | C12 | H12B | 180.0° | 67.1° |
| C2 | C3 | C12 | H12A | 60.0° | 173.0° |
| C2 | C3 | C12 | H12C | 60.0° | 53.0° |
| C2 | C3 | C13 | H13A | 180.0° | 60.1° |
| C2 | C3 | C13 | H13C | 60.0° | 180.0° |
| C2 | C3 | C13 | H13B | 60.0° | 60.0° |
| C2 | C3 | C4 | C5 | 48.1° | 48.2° |
| C3 | C2 | C1 | H2 | 60.8° | 60.5° |
| C1 | C2 | C3 | C12 | 73.0° | 71.4° |
| C1 | C2 | C3 | C13 | 170.7° | 172.5° |
| C2 | C1 | C6 | H1B | 120.1° | 118.7° |
| C2 | C1 | C6 | H2 | 120.1° | 122.3° |
| C2 | C1 | C6 | C5 | 59.3° | 61.9° |
| C1 | C2 | C3 | C4 | 52.4° | 54.3° |
| C1 | C2 | H2B | H1 | 118.1° | 120.0° |
| C2 | C1 | H1B | H2 | 119.8° | 120.8° |
| C2 | C1 | C6 | H6B | 61.3° | 58.6° |
| C2 | C1 | C6 | H6A | 179.9° | 177.6° |
| C12 | C3 | C13 | C4 | 124.7° | 122.4° |
| C12 | C3 | C4 | C7 | 56.4° | 50.2° |
| C12 | C3 | C2 | H2B | 166.4° | 168.1° |
| C12 | C3 | C4 | H4 | 170.3° | 166.1° |
| C3 | C12 | H12B | H12A | 120.0° | 119.9° |
| C3 | C12 | H12B | H12C | 120.0° | 120.0° |
| C3 | C12 | H12A | H12C | 120.0° | 120.0° |
| C12 | C3 | C13 | H13A | 62.6° | 177.5° |
| C12 | C3 | C13 | H13C | 57.4° | 62.5° |
| C12 | C3 | C13 | H13B | 177.4° | 57.5° |
| C12 | C3 | C4 | C5 | 74.0° | 75.6° |
| C12 | C3 | C2 | H1 | 47.6° | 49.1° |
| C13 | C3 | C4 | C7 | 63.9° | 68.8° |
| C13 | C3 | C2 | H2B | 50.1° | 52.0° |
| C13 | C3 | C4 | H4 | 50.1° | 47.2° |
| C13 | C3 | C12 | H12B | 63.1° | 48.6° |
| C13 | C3 | C12 | H12A | 176.8° | 71.3° |
| C13 | C3 | C12 | H12C | 56.8° | 168.6° |
| C3 | C13 | H13A | H13C | 120.0° | 120.0° |
| C3 | C13 | H13A | H13B | 120.0° | 120.1° |
| C3 | C13 | H13C | H13B | 120.0° | 120.1° |
| C13 | C3 | C4 | C5 | 165.8° | 165.4° |
| C13 | C3 | C2 | H1 | 68.6° | 67.0° |
| C7 | C4 | C5 | C11 | 59.0° | 50.9° |
| C7 | C4 | C5 | C6 | 179.8° | 174.9° |
| C4 | C7 | C8 | H7B | 120.2° | 122.6° |
| C4 | C7 | C8 | H7A | 120.2° | 119.3° |
| C4 | C7 | C8 | C9 | 5.9° | 17.7° |
| C7 | C4 | C3 | H4 | 113.9° | 115.9° |
| C7 | C4 | C3 | C5 | 130.3° | 125.8° |
| C7 | C4 | H4 | C5 | 116.5° | 116.8° |
| C4 | C7 | H7B | H7A | 119.4° | 121.7° |
| C4 | C7 | C8 | H8 | 174.1° | 162.5° |
| C7 | C4 | C5 | C10 | 62.9° | 68.2° |
| C1 | C6 | C5 | C11 | 71.5° | 71.5° |
| C1 | C6 | C5 | H6B | 120.6° | 120.4° |
| C1 | C6 | C5 | H6A | 120.6° | 120.0° |
| C6 | C1 | C2 | H2B | 61.3° | 58.5° |
| C6 | C1 | H1B | H2 | 119.8° | 120.4° |
| C1 | C6 | H6B | H6A | 118.2° | 118.8° |
| C1 | C6 | C5 | C4 | 52.6° | 54.1° |
| C1 | C6 | C5 | C10 | 169.5° | 170.8° |
| C6 | C1 | C2 | H1 | 179.9° | 178.1° |
| C14 | C10 | C9 | H10 | 113.8° | 119.9° |
| C14 | C10 | C9 | C5 | 132.3° | 119.9° |
| C14 | C10 | C5 | C11 | 41.1° | 45.9° |
| C10 | C14 | O16 | H14A | 120.1° | 120.0° |
| C10 | C14 | O16 | H14B | 120.1° | 120.0° |
| C14 | C10 | C9 | C15 | 62.3° | 44.3° |
| C14 | C10 | C5 | C6 | 77.2° | 72.9° |
| C14 | C10 | C9 | C8 | 119.7° | 135.7° |
| C10 | C14 | O16 | P17 | 137.0° | 180.0° |
| C14 | C10 | H10 | C5 | 121.8° | 119.4° |
| C10 | C14 | H14A | H14B | 119.6° | 120.0° |
| C14 | C10 | C5 | C4 | 165.6° | 167.9° |
| C9 | C10 | C5 | C11 | 89.7° | 73.9° |
| C9 | C10 | C14 | O16 | 72.5° | 65.0° |
| C10 | C9 | C15 | C8 | 178.0° | 180.0° |
| C9 | C10 | C5 | C6 | 152.0° | 167.3° |
| C10 | C9 | C8 | C7 | 36.0° | 0.2° |
| C9 | C10 | H10 | C5 | 119.6° | 121.1° |
| C9 | C10 | C14 | H14A | 167.4° | 175.0° |
| C9 | C10 | C14 | H14B | 47.6° | 55.0° |
| C10 | C9 | C15 | H15B | 180.0° | 90.0° |
| C10 | C9 | C15 | H15A | 60.0° | 150.0° |
| C10 | C9 | C15 | H15C | 60.0° | 30.0° |
| C10 | C9 | C8 | H8 | 143.9° | 179.7° |
| C9 | C10 | C5 | C4 | 34.8° | 48.1° |
| C11 | C5 | C6 | C4 | 124.1° | 125.7° |
| C11 | C5 | C6 | C10 | 119.0° | 117.7° |
| C11 | C5 | C4 | C3 | 72.5° | 76.0° |
| C11 | C5 | C4 | H4 | 171.7° | 165.6° |
| C11 | C5 | C10 | H10 | 156.1° | 165.7° |
| C5 | C11 | H11B | H11A | 120.0° | 120.0° |
| C5 | C11 | H11B | H11C | 120.0° | 120.0° |
| C5 | C11 | H11A | H11C | 120.0° | 120.0° |
| C11 | C5 | C6 | H6B | 167.9° | 168.1° |
| C11 | C5 | C6 | H6A | 49.1° | 48.4° |
| C11 | C5 | C4 | C10 | 121.9° | 119.0° |
| C14 | O16 | P17 | O18 | 61.9° | 55.0° |
| C14 | O16 | P17 | O19 | 177.9° | 65.0° |
| C14 | O16 | P17 | O20 | 57.8° | 175.0° |
| O16 | C14 | C10 | H10 | 41.4° | 54.9° |
| O16 | C14 | H14A | H14B | 119.6° | 120.0° |
| O16 | C14 | C10 | C5 | 156.2° | 174.2° |
| C15 | C9 | C8 | C7 | 141.9° | 179.8° |
| C15 | C9 | C10 | H10 | 51.6° | 75.6° |
| C9 | C15 | H15B | H15A | 120.0° | 119.9° |
| C9 | C15 | H15B | H15C | 120.0° | 120.0° |
| C9 | C15 | H15A | H15C | 120.0° | 120.0° |
| C15 | C9 | C8 | H8 | 38.1° | 0.4° |
| C15 | C9 | C10 | C5 | 165.5° | 164.3° |
| C6 | C5 | C4 | C3 | 48.3° | 48.1° |
| C6 | C5 | C4 | H4 | 67.4° | 70.4° |
| C5 | C6 | C1 | H1B | 179.4° | 179.4° |
| C6 | C5 | C10 | H10 | 37.8° | 46.9° |
| C6 | C5 | C11 | H11B | 180.0° | 175.3° |
| C6 | C5 | C11 | H11A | 60.0° | 55.3° |
| C6 | C5 | C11 | H11C | 60.0° | 64.7° |
| C5 | C6 | H6B | H6A | 118.2° | 120.0° |
| C6 | C5 | C4 | C10 | 117.2° | 116.9° |
| C5 | C6 | C1 | H2 | 60.8° | 60.4° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C8 | C7 | C4 | C3 | 177.4° | 179.4° |
| C8 | C7 | C4 | H4 | 68.8° | 63.2° |
| C8 | C7 | H7B | H7A | 119.4° | 117.4° |
| C8 | C7 | C4 | C5 | 43.7° | 51.6° |
| C8 | C9 | C10 | H10 | 126.5° | 104.3° |
| C8 | C9 | C15 | H15B | 2.0° | 90.0° |
| C8 | C9 | C15 | H15A | 118.0° | 29.9° |
| C8 | C9 | C15 | H15C | 122.0° | 150.0° |
| C9 | C8 | C7 | H7B | 126.1° | 104.9° |
| C9 | C8 | C7 | H7A | 114.3° | 137.0° |
| C8 | C9 | C10 | C5 | 12.6° | 15.8° |
| O16 | P17 | O18 | O19 | 115.4° | 120.0° |
| O16 | P17 | O18 | O20 | 114.9° | 120.0° |
| O16 | P17 | O19 | O20 | 115.2° | 120.0° |
| P17 | O16 | C14 | H14A | 102.9° | 60.0° |
| P17 | O16 | C14 | H14B | 16.8° | 60.0° |
| O16 | P17 | O19 | H9 | 115.1° | 60.0° |
| O16 | P17 | O20 | H11 | 114.7° | 180.0° |
| O18 | P17 | O19 | O20 | 129.7° | 120.0° |
| O18 | P17 | O19 | H9 | 0.0° | 180.0° |
| O18 | P17 | O20 | H11 | 0.0° | 60.0° |
| O19 | P17 | O20 | H11 | 129.9° | 60.0° |
| O20 | P17 | O19 | H9 | 129.7° | 60.0° |
| C4 | C3 | C2 | H2B | 68.2° | 66.2° |
| C3 | C4 | H4 | C5 | 124.1° | 123.9° |
| C4 | C3 | C12 | H12B | 58.2° | 168.1° |
| C4 | C3 | C12 | H12A | 61.8° | 48.2° |
| C4 | C3 | C12 | H12C | 178.2° | 71.8° |
| C4 | C3 | C13 | H13A | 62.1° | 60.1° |
| C4 | C3 | C13 | H13C | 177.9° | 59.9° |
| C4 | C3 | C13 | H13B | 57.8° | 179.9° |
| C3 | C4 | C7 | H7B | 57.2° | 59.9° |
| C3 | C4 | C7 | H7A | 62.4° | 61.3° |
| C3 | C4 | C5 | C10 | 165.5° | 165.0° |
| C4 | C3 | C2 | H1 | 173.1° | 174.8° |
| H2B | C2 | C1 | H1B | 58.7° | 60.1° |
| H2B | C2 | C1 | H2 | 178.6° | 179.3° |
| H4 | C4 | C7 | H7B | 171.0° | 176.1° |
| H4 | C4 | C7 | H7A | 51.4° | 54.9° |
| H4 | C4 | C5 | C10 | 49.8° | 46.5° |
| H1B | C1 | C6 | H6B | 58.8° | 60.1° |
| H1B | C1 | C6 | H6A | 60.1° | 58.9° |
| H1B | C1 | C2 | H1 | 60.0° | 59.5° |
| H10 | C10 | C14 | H14A | 78.7° | 65.1° |
| H10 | C10 | C14 | H14B | 161.5° | 174.9° |
| H10 | C10 | C5 | C4 | 79.4° | 72.4° |
| H11B | C11 | H11A | H11C | 120.0° | 120.0° |
| H11B | C11 | C5 | C4 | 59.2° | 60.1° |
| H11B | C11 | C5 | C10 | 61.8° | 58.2° |
| H11A | C11 | C5 | C4 | 179.2° | 179.9° |
| H11A | C11 | C5 | C10 | 58.2° | 61.8° |
| H11C | C11 | C5 | C4 | 60.8° | 59.9° |
| H11C | C11 | C5 | C10 | 178.2° | 178.2° |
| H12B | C12 | H12A | H12C | 120.0° | 120.0° |
| H13A | C13 | H13C | H13B | 120.0° | 119.9° |
| H14A | C14 | C10 | C5 | 36.1° | 54.2° |
| H14B | C14 | C10 | C5 | 83.7° | 65.8° |
| H15B | C15 | H15A | H15C | 119.9° | 120.1° |
| H6B | C6 | C5 | C4 | 68.0° | 66.2° |
| H6B | C6 | C5 | C10 | 48.9° | 50.4° |
| H6B | C6 | C1 | H2 | 178.7° | 179.1° |
| H6A | C6 | C5 | C4 | 173.2° | 174.1° |
| H6A | C6 | C5 | C10 | 69.9° | 69.2° |
| H6A | C6 | C1 | H2 | 59.8° | 60.1° |
| H7B | C7 | C8 | H8 | 53.9° | 75.0° |
| H7B | C7 | C4 | C5 | 76.5° | 69.0° |
| H7A | C7 | C8 | H8 | 65.7° | 43.2° |
| H7A | C7 | C4 | C5 | 163.9° | 169.7° |
| H1 | C2 | C1 | H2 | 59.9° | 59.7° |
