MNK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C7 | doub | 1.37Å | 1.43Å | |
| O1 | C1 | sing | 1.36Å | 1.36Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å | |
| C2 | C1 | sing | 1.36Å | 1.43Å | |
| C2 | C3 | sing | 1.39Å | 1.42Å | |
| O2 | C2 | doub | 1.22Å | 1.30Å | |
| C3 | C4 | doub | 1.36Å | 1.41Å | |
| O3 | C3 | sing | 1.36Å | 1.37Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.34Å | 1.42Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C8 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | doub | 1.37Å | 1.45Å | |
| C6 | C9 | sing | 1.52Å | 1.57Å | |
| C7 | C6 | sing | 1.38Å | 1.43Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | C9 | sing | 1.52Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | C7 | sing | 1.52Å | 1.53Å | |
| C12 | C11 | sing | 1.52Å | 1.51Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | C10 | sing | 1.51Å | 1.57Å | |
| C13 | C14 | doub | 1.31Å | 1.48Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H14A | sing | 1.08Å | 1.08Å | |
| C15 | C13 | sing | 1.51Å | 1.48Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C1 | O1 | 111.2° | 112.8° |
| C7 | C1 | C2 | 135.4° | 134.5° |
| C1 | C7 | C6 | 126.4° | 124.4° |
| C1 | C7 | C12 | 115.7° | 113.9° |
| C1 | O1 | H17 | 109.5° | 114.0° |
| O1 | C1 | C2 | 113.4° | 112.7° |
| C1 | C2 | C3 | 126.3° | 128.3° |
| C1 | C2 | O2 | 119.6° | 115.9° |
| C3 | C2 | O2 | 114.1° | 115.8° |
| C2 | C3 | C4 | 124.8° | 124.0° |
| C2 | C3 | O3 | 115.1° | 118.0° |
| C4 | C3 | O3 | 120.1° | 118.0° |
| C3 | C4 | C5 | 131.7° | 129.0° |
| C3 | C4 | H4 | 114.2° | 115.5° |
| C3 | O3 | H18 | 109.5° | 114.0° |
| C5 | C4 | H4 | 114.2° | 115.5° |
| C4 | C5 | C8 | 111.9° | 112.3° |
| C4 | C5 | C6 | 132.6° | 135.3° |
| C8 | C5 | C6 | 115.5° | 112.4° |
| C5 | C8 | H8 | 109.5° | 109.5° |
| C5 | C8 | H8A | 109.4° | 109.5° |
| C5 | C8 | H8B | 109.4° | 109.5° |
| C5 | C6 | C9 | 122.1° | 113.9° |
| C5 | C6 | C7 | 122.9° | 124.5° |
| C9 | C6 | C7 | 115.0° | 121.6° |
| C6 | C9 | H9 | 103.7° | 109.1° |
| C6 | C9 | H9A | 103.7° | 109.1° |
| C6 | C9 | C10 | 127.9° | 111.5° |
| C6 | C7 | C12 | 117.9° | 121.7° |
| H8 | C8 | H8A | 109.5° | 109.4° |
| H8 | C8 | H8B | 109.4° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.4° |
| H9 | C9 | H9A | 114.6° | 109.1° |
| H9 | C9 | C10 | 103.7° | 109.1° |
| H9A | C9 | C10 | 103.7° | 109.0° |
| C9 | C10 | H10 | 109.9° | 109.8° |
| C9 | C10 | C11 | 106.8° | 107.8° |
| C9 | C10 | C13 | 116.3° | 109.8° |
| H10 | C10 | C11 | 108.7° | 109.8° |
| H10 | C10 | C13 | 97.2° | 109.8° |
| C10 | C11 | H11 | 106.2° | 109.8° |
| C10 | C11 | H11A | 106.2° | 109.8° |
| C10 | C11 | C12 | 119.6° | 108.0° |
| C11 | C10 | C13 | 117.3° | 109.8° |
| H11 | C11 | H11A | 112.5° | 109.8° |
| H11 | C11 | C12 | 106.2° | 109.9° |
| H11A | C11 | C12 | 106.2° | 109.6° |
| C7 | C12 | C11 | 124.0° | 111.5° |
| C7 | C12 | H12 | 104.9° | 109.1° |
| C7 | C12 | H12A | 104.9° | 109.1° |
| C11 | C12 | H12 | 104.9° | 109.3° |
| C11 | C12 | H12A | 104.9° | 108.8° |
| H12 | C12 | H12A | 113.6° | 109.0° |
| C10 | C13 | C14 | 119.7° | 120.0° |
| C10 | C13 | C15 | 120.6° | 120.0° |
| C13 | C14 | H14 | 120.0° | 119.9° |
| C13 | C14 | H14A | 120.0° | 120.0° |
| C14 | C13 | C15 | 119.7° | 120.0° |
| H14 | C14 | H14A | 120.0° | 120.1° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C13 | C15 | H15A | 109.5° | 109.5° |
| C13 | C15 | H15B | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.4° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.4° |
| H15A | C15 | H15B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C1 | O1 | C2 | 179.8° | 179.8° |
| C7 | C1 | O1 | H17 | 179.8° | 180.0° |
| C7 | C1 | C2 | C3 | 0.2° | 1.2° |
| C7 | C1 | C2 | O2 | 179.7° | 178.8° |
| C1 | C7 | C6 | C5 | 0.5° | 1.6° |
| C1 | C7 | C6 | C9 | 179.4° | 177.9° |
| C1 | C7 | C6 | C12 | 179.8° | 179.6° |
| C1 | C7 | C12 | C11 | 179.7° | 161.2° |
| C1 | C7 | C12 | H12 | 59.7° | 40.4° |
| C1 | C7 | C12 | H12A | 60.3° | 78.6° |
| O1 | C1 | C2 | C3 | 180.0° | 179.1° |
| O1 | C1 | C2 | O2 | 0.0° | 0.9° |
| O1 | C1 | C7 | C6 | 179.3° | 178.9° |
| O1 | C1 | C7 | C12 | 0.5° | 1.4° |
| H17 | O1 | C1 | C2 | 0.0° | 0.3° |
| C1 | C2 | C3 | O2 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 1.4° |
| C1 | C2 | C3 | O3 | 179.7° | 178.6° |
| C2 | C1 | C7 | C6 | 0.4° | 0.8° |
| C2 | C1 | C7 | C12 | 179.8° | 178.8° |
| C2 | C3 | C4 | O3 | 179.9° | 180.0° |
| C2 | C3 | O3 | H18 | 0.2° | 0.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C2 | C3 | C4 | H4 | 179.9° | 179.9° |
| O2 | C2 | C3 | C4 | 179.5° | 178.6° |
| O2 | C2 | C3 | O3 | 0.4° | 1.4° |
| C4 | C3 | O3 | H18 | 179.7° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C8 | 179.7° | 179.1° |
| C3 | C4 | C5 | C6 | 0.4° | 1.0° |
| O3 | C3 | C4 | C5 | 179.8° | 179.8° |
| O3 | C3 | C4 | H4 | 0.2° | 0.1° |
| C4 | C5 | C8 | C6 | 179.9° | 179.9° |
| C4 | C5 | C6 | C9 | 179.9° | 179.2° |
| C4 | C5 | C6 | C7 | 0.0° | 0.3° |
| C4 | C5 | C8 | H8 | 180.0° | 5.3° |
| C4 | C5 | C8 | H8A | 60.0° | 125.3° |
| C4 | C5 | C8 | H8B | 60.0° | 114.7° |
| H4 | C4 | C5 | C8 | 0.3° | 0.8° |
| H4 | C4 | C5 | C6 | 179.6° | 179.1° |
| C8 | C5 | C6 | C9 | 0.2° | 0.9° |
| C8 | C5 | C6 | C7 | 179.9° | 179.6° |
| C5 | C8 | H8 | H8A | 120.0° | 120.0° |
| C5 | C8 | H8 | H8B | 120.0° | 120.1° |
| C5 | C8 | H8A | H8B | 120.0° | 120.0° |
| C5 | C6 | C9 | C7 | 179.9° | 179.6° |
| C6 | C5 | C8 | H8 | 0.1° | 174.7° |
| C6 | C5 | C8 | H8A | 119.9° | 54.8° |
| C6 | C5 | C8 | H8B | 120.1° | 65.2° |
| C5 | C6 | C9 | H9 | 79.1° | 40.3° |
| C5 | C6 | C9 | H9A | 40.9° | 78.8° |
| C5 | C6 | C9 | C10 | 160.9° | 160.8° |
| C5 | C6 | C7 | C12 | 179.7° | 178.0° |
| C6 | C9 | H9 | H9A | 112.4° | 119.1° |
| C6 | C9 | H9 | C10 | 135.3° | 122.0° |
| C6 | C9 | H9A | C10 | 135.3° | 121.9° |
| C6 | C9 | C10 | H10 | 151.5° | 67.3° |
| C6 | C9 | C10 | C11 | 33.7° | 52.3° |
| C9 | C6 | C7 | C12 | 0.4° | 2.5° |
| C6 | C9 | C10 | C13 | 99.4° | 171.9° |
| C7 | C6 | C9 | H9 | 101.0° | 140.1° |
| C7 | C6 | C9 | H9A | 139.0° | 100.8° |
| C7 | C6 | C9 | C10 | 19.0° | 19.6° |
| C6 | C7 | C12 | C11 | 0.1° | 19.2° |
| C6 | C7 | C12 | H12 | 120.1° | 140.0° |
| C6 | C7 | C12 | H12A | 119.9° | 101.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
| H9 | C9 | H9A | C10 | 112.3° | 119.0° |
| H9 | C9 | C10 | H10 | 31.5° | 53.3° |
| H9 | C9 | C10 | C11 | 86.2° | 172.8° |
| H9 | C9 | C10 | C13 | 140.6° | 67.6° |
| H9A | C9 | C10 | H10 | 88.5° | 172.3° |
| H9A | C9 | C10 | C11 | 153.8° | 68.2° |
| H9A | C9 | C10 | C13 | 20.6° | 51.4° |
| C9 | C10 | H10 | C11 | 116.6° | 118.3° |
| C9 | C10 | H10 | C13 | 121.4° | 120.8° |
| C9 | C10 | C11 | C13 | 132.6° | 119.6° |
| C9 | C10 | C11 | H11 | 89.2° | 170.1° |
| C9 | C10 | C11 | H11A | 150.8° | 49.4° |
| C9 | C10 | C11 | C12 | 30.8° | 70.1° |
| C9 | C10 | C13 | C14 | 58.3° | 120.0° |
| C9 | C10 | C13 | C15 | 123.5° | 60.0° |
| H10 | C10 | C11 | C13 | 108.8° | 120.8° |
| H10 | C10 | C11 | H11 | 29.3° | 70.3° |
| H10 | C10 | C11 | H11A | 90.7° | 169.0° |
| H10 | C10 | C11 | C12 | 149.3° | 49.5° |
| H10 | C10 | C13 | C14 | 58.1° | 0.8° |
| H10 | C10 | C13 | C15 | 120.1° | 179.2° |
| C10 | C11 | H11 | H11A | 115.8° | 120.7° |
| C10 | C11 | H11 | C12 | 128.4° | 118.6° |
| C10 | C11 | H11A | C12 | 128.4° | 118.5° |
| C10 | C11 | C12 | C7 | 18.0° | 52.0° |
| C10 | C11 | C12 | H12 | 102.0° | 172.7° |
| C10 | C11 | C12 | H12A | 138.0° | 68.4° |
| C11 | C10 | C13 | C14 | 173.5° | 121.6° |
| C11 | C10 | C13 | C15 | 4.7° | 58.4° |
| H11 | C11 | H11A | C12 | 115.8° | 120.8° |
| H11 | C11 | C12 | C7 | 102.1° | 171.7° |
| H11 | C11 | C12 | H12 | 138.0° | 67.6° |
| H11 | C11 | C12 | H12A | 18.0° | 51.4° |
| H11 | C11 | C10 | C13 | 138.1° | 50.5° |
| H11A | C11 | C12 | C7 | 138.0° | 67.6° |
| H11A | C11 | C12 | H12 | 18.0° | 53.1° |
| H11A | C11 | C12 | H12A | 102.0° | 172.1° |
| H11A | C11 | C10 | C13 | 18.1° | 70.2° |
| C7 | C12 | C11 | H12 | 120.0° | 120.7° |
| C7 | C12 | C11 | H12A | 120.0° | 120.4° |
| C7 | C12 | H12 | H12A | 114.0° | 119.0° |
| C11 | C12 | H12 | H12A | 114.0° | 118.8° |
| C12 | C11 | C10 | C13 | 101.9° | 170.3° |
| C10 | C13 | C14 | C15 | 178.2° | 180.0° |
| C10 | C13 | C14 | H14 | 178.2° | 180.0° |
| C10 | C13 | C14 | H14A | 1.8° | 0.0° |
| C10 | C13 | C15 | H15 | 180.0° | 0.0° |
| C10 | C13 | C15 | H15A | 60.0° | 120.0° |
| C10 | C13 | C15 | H15B | 60.0° | 120.0° |
| C13 | C14 | H14 | H14A | 180.0° | 180.0° |
| C14 | C13 | C15 | H15 | 1.8° | 180.0° |
| C14 | C13 | C15 | H15A | 121.8° | 60.0° |
| C14 | C13 | C15 | H15B | 118.2° | 60.0° |
| H14 | C14 | C13 | C15 | 0.0° | 0.0° |
| H14A | C14 | C13 | C15 | 180.0° | 180.0° |
| C13 | C15 | H15 | H15A | 120.0° | 120.1° |
| C13 | C15 | H15 | H15B | 120.0° | 120.0° |
| C13 | C15 | H15A | H15B | 120.0° | 120.0° |
| H15 | C15 | H15A | H15B | 120.0° | 119.9° |
