WMN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O7 | sing | 1.45Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | O1 | doub | 1.21Å | 1.22Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | O2 | sing | 1.43Å | 1.41Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | O3 | sing | 1.43Å | 1.44Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | doub | 1.33Å | 1.32Å | |
| C12 | C13 | sing | 1.48Å | 1.48Å | |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C18 | sing | 1.41Å | 1.43Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | O4 | sing | 1.36Å | 1.37Å | |
| C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | O5 | sing | 1.36Å | 1.35Å | |
| C17 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.47Å | 1.48Å | |
| C19 | O6 | doub | 1.22Å | 1.20Å | |
| C19 | O7 | sing | 1.35Å | 1.33Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| O4 | H20 | sing | 0.97Å | 0.95Å | |
| O5 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 114.3° | 109.5° |
| C1 | C2 | O7 | 108.7° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.4° | 109.5° |
| C3 | C2 | O7 | 105.1° | 109.4° |
| C2 | C3 | C4 | 117.0° | 109.8° |
| C3 | C2 | H4 | 109.2° | 109.5° |
| C2 | C3 | H6 | 107.5° | 109.4° |
| C2 | C3 | H5 | 107.6° | 109.4° |
| C2 | O7 | C19 | 118.0° | 116.9° |
| O7 | C2 | H4 | 110.0° | 109.5° |
| C3 | C4 | C5 | 114.8° | 109.4° |
| C4 | C3 | H6 | 107.6° | 109.4° |
| C4 | C3 | H5 | 107.6° | 109.4° |
| C3 | C4 | H7 | 108.1° | 109.4° |
| C3 | C4 | H41 | 108.1° | 109.5° |
| C4 | C5 | C6 | 112.4° | 109.7° |
| C5 | C4 | H7 | 108.1° | 109.5° |
| C5 | C4 | H41 | 108.1° | 109.5° |
| C4 | C5 | H8 | 108.7° | 109.4° |
| C4 | C5 | H51 | 108.7° | 109.5° |
| C5 | C6 | O1 | 121.2° | 119.8° |
| C5 | C6 | C7 | 120.2° | 120.3° |
| C6 | C5 | H8 | 108.7° | 109.4° |
| C6 | C5 | H51 | 108.7° | 109.4° |
| O1 | C6 | C7 | 118.6° | 119.9° |
| C6 | C7 | O2 | 112.3° | 109.4° |
| C6 | C7 | C8 | 109.5° | 109.5° |
| C6 | C7 | H9 | 107.8° | 109.5° |
| O2 | C7 | C8 | 110.2° | 109.5° |
| O2 | C7 | H9 | 109.2° | 109.5° |
| C7 | O2 | H10 | 109.5° | 114.1° |
| C7 | C8 | O3 | 109.4° | 109.4° |
| C7 | C8 | C9 | 110.6° | 109.7° |
| C7 | C8 | H11 | 109.1° | 109.4° |
| C8 | C7 | H9 | 107.7° | 109.5° |
| O3 | C8 | C9 | 108.4° | 109.4° |
| O3 | C8 | H11 | 110.3° | 109.4° |
| C8 | O3 | H12 | 109.5° | 114.0° |
| C8 | C9 | C10 | 114.7° | 109.5° |
| C9 | C8 | H11 | 109.1° | 109.4° |
| C8 | C9 | H13 | 108.1° | 109.5° |
| C8 | C9 | H14 | 108.2° | 109.5° |
| C9 | C10 | C11 | 113.0° | 109.5° |
| C10 | C9 | H13 | 108.1° | 109.4° |
| C10 | C9 | H14 | 108.2° | 109.4° |
| C9 | C10 | H15 | 108.6° | 109.5° |
| C9 | C10 | H16 | 108.6° | 109.5° |
| C10 | C11 | C12 | 126.1° | 119.8° |
| C10 | C11 | H17 | 117.0° | 120.2° |
| C11 | C10 | H15 | 108.6° | 109.5° |
| C11 | C10 | H16 | 108.6° | 109.5° |
| C11 | C12 | C13 | 125.7° | 120.8° |
| C12 | C11 | H17 | 117.0° | 120.0° |
| C11 | C12 | H18 | 117.2° | 119.9° |
| C12 | C13 | C14 | 117.2° | 121.2° |
| C12 | C13 | C18 | 123.6° | 119.0° |
| C13 | C12 | H18 | 117.2° | 119.2° |
| C14 | C13 | C18 | 119.2° | 119.8° |
| C13 | C14 | C15 | 120.9° | 120.0° |
| C13 | C14 | H19 | 119.6° | 120.0° |
| C13 | C18 | C17 | 117.9° | 119.7° |
| C13 | C18 | C19 | 126.5° | 119.2° |
| C14 | C15 | O4 | 119.6° | 119.8° |
| C14 | C15 | C16 | 120.8° | 120.5° |
| C15 | C14 | H19 | 119.6° | 120.1° |
| O4 | C15 | C16 | 119.6° | 119.8° |
| C15 | O4 | H20 | 109.5° | 113.9° |
| C15 | C16 | C17 | 119.7° | 120.4° |
| C15 | C16 | H21 | 120.1° | 119.8° |
| C16 | C17 | O5 | 117.9° | 120.2° |
| C16 | C17 | C18 | 121.4° | 119.7° |
| C17 | C16 | H21 | 120.2° | 119.8° |
| O5 | C17 | C18 | 120.7° | 120.2° |
| C17 | O5 | H22 | 109.5° | 114.0° |
| C17 | C18 | C19 | 115.5° | 121.1° |
| C18 | C19 | O6 | 122.1° | 119.3° |
| C18 | C19 | O7 | 115.8° | 121.4° |
| O6 | C19 | O7 | 122.1° | 119.3° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H6 | C3 | H5 | 109.5° | 109.4° |
| H7 | C4 | H41 | 109.5° | 109.5° |
| H8 | C5 | H51 | 109.5° | 109.4° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | O7 | 119.1° | 120.0° |
| C1 | C2 | C3 | H4 | 122.8° | 120.1° |
| C1 | C2 | O7 | H4 | 119.8° | 120.1° |
| C1 | C2 | C3 | C4 | 172.1° | 103.7° |
| C1 | C2 | O7 | C19 | 78.4° | 153.8° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H6 | 51.0° | 16.4° |
| C1 | C2 | C3 | H5 | 66.8° | 136.3° |
| C3 | C2 | O7 | H4 | 117.5° | 120.0° |
| C2 | C3 | C4 | H6 | 121.1° | 120.1° |
| C2 | C3 | C4 | H5 | 121.1° | 120.1° |
| C2 | C3 | C4 | C5 | 140.9° | 176.0° |
| C3 | C2 | O7 | C19 | 158.8° | 33.9° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 59.9° |
| C2 | C3 | H6 | H5 | 116.6° | 119.9° |
| C2 | C3 | C4 | H7 | 20.1° | 56.1° |
| C2 | C3 | C4 | H41 | 98.4° | 63.9° |
| O7 | C2 | C3 | C4 | 68.8° | 136.4° |
| C2 | O7 | C19 | C18 | 172.0° | 175.6° |
| C2 | O7 | C19 | O6 | 7.8° | 4.4° |
| O7 | C2 | C1 | H1 | 62.9° | 180.0° |
| O7 | C2 | C1 | H3 | 57.1° | 60.0° |
| O7 | C2 | C1 | H2 | 177.1° | 60.0° |
| O7 | C2 | C3 | H6 | 170.2° | 103.6° |
| O7 | C2 | C3 | H5 | 52.4° | 16.3° |
| C3 | C4 | C5 | H7 | 120.8° | 119.9° |
| C3 | C4 | C5 | H41 | 120.8° | 120.0° |
| C3 | C4 | C5 | C6 | 88.2° | 109.7° |
| C4 | C3 | C2 | H4 | 49.3° | 16.4° |
| C4 | C3 | H6 | H5 | 116.6° | 119.8° |
| C3 | C4 | H7 | H41 | 117.6° | 120.0° |
| C3 | C4 | C5 | H8 | 151.3° | 130.2° |
| C3 | C4 | C5 | H51 | 32.2° | 10.3° |
| C4 | C5 | C6 | H8 | 120.4° | 120.1° |
| C4 | C5 | C6 | H51 | 120.4° | 120.1° |
| C4 | C5 | C6 | O1 | 20.9° | 52.9° |
| C4 | C5 | C6 | C7 | 158.0° | 127.0° |
| C5 | C4 | C3 | H6 | 98.1° | 63.9° |
| C5 | C4 | C3 | H5 | 19.8° | 55.9° |
| C5 | C4 | H7 | H41 | 117.5° | 120.1° |
| C4 | C5 | H8 | H51 | 118.6° | 119.9° |
| C5 | C6 | O1 | C7 | 178.9° | 179.9° |
| C5 | C6 | C7 | O2 | 9.8° | 3.3° |
| C5 | C6 | C7 | C8 | 132.6° | 123.3° |
| C6 | C5 | C4 | H7 | 32.6° | 10.2° |
| C6 | C5 | C4 | H41 | 151.0° | 130.3° |
| C5 | C6 | C7 | H9 | 110.6° | 116.7° |
| C6 | C5 | H8 | H51 | 118.6° | 119.8° |
| O1 | C6 | C7 | O2 | 169.2° | 176.7° |
| O1 | C6 | C7 | C8 | 46.3° | 56.7° |
| O1 | C6 | C7 | H9 | 70.5° | 63.4° |
| O1 | C6 | C5 | H8 | 99.5° | 67.1° |
| O1 | C6 | C5 | H51 | 141.3° | 173.0° |
| C6 | C7 | O2 | C8 | 122.4° | 120.0° |
| C6 | C7 | O2 | H9 | 119.5° | 120.0° |
| C6 | C7 | C8 | H9 | 116.9° | 120.0° |
| C6 | C7 | C8 | O3 | 168.9° | 99.1° |
| C6 | C7 | C8 | C9 | 71.8° | 140.8° |
| C6 | C7 | C8 | H11 | 48.2° | 20.7° |
| C7 | C6 | C5 | H8 | 81.6° | 112.9° |
| C7 | C6 | C5 | H51 | 37.5° | 6.9° |
| C6 | C7 | O2 | H10 | 180.0° | 60.0° |
| O2 | C7 | C8 | H9 | 119.1° | 120.0° |
| O2 | C7 | C8 | O3 | 67.1° | 140.9° |
| O2 | C7 | C8 | C9 | 52.3° | 20.8° |
| O2 | C7 | C8 | H11 | 172.3° | 99.2° |
| C7 | C8 | O3 | C9 | 120.7° | 120.2° |
| C7 | C8 | O3 | H11 | 119.9° | 119.9° |
| C7 | C8 | C9 | H11 | 120.0° | 120.1° |
| C7 | C8 | C9 | C10 | 162.8° | 179.0° |
| C7 | C8 | C9 | H13 | 76.5° | 59.1° |
| C7 | C8 | C9 | H14 | 42.0° | 61.0° |
| C8 | C7 | O2 | H10 | 57.6° | 180.0° |
| C7 | C8 | O3 | H12 | 180.0° | 179.8° |
| O3 | C8 | C9 | H11 | 120.1° | 119.9° |
| O3 | C8 | C9 | C10 | 77.3° | 59.0° |
| O3 | C8 | C7 | H9 | 52.0° | 20.9° |
| O3 | C8 | C9 | H13 | 43.4° | 61.0° |
| O3 | C8 | C9 | H14 | 161.9° | 179.0° |
| C8 | C9 | C10 | H13 | 120.7° | 120.0° |
| C8 | C9 | C10 | H14 | 120.8° | 120.0° |
| C8 | C9 | C10 | C11 | 59.0° | 106.8° |
| C9 | C8 | C7 | H9 | 171.3° | 99.2° |
| C8 | C9 | H13 | H14 | 117.6° | 120.0° |
| C8 | C9 | C10 | H15 | 61.5° | 133.2° |
| C8 | C9 | C10 | H16 | 179.5° | 13.2° |
| C9 | C8 | O3 | H12 | 59.3° | 60.0° |
| C9 | C10 | C11 | H15 | 120.5° | 120.0° |
| C9 | C10 | C11 | H16 | 120.5° | 120.0° |
| C9 | C10 | C11 | C12 | 42.5° | 46.3° |
| C9 | C10 | C11 | H17 | 137.5° | 133.5° |
| C10 | C9 | C8 | H11 | 42.8° | 60.9° |
| C10 | C9 | H13 | H14 | 117.7° | 120.0° |
| C9 | C10 | H15 | H16 | 118.4° | 120.0° |
| C10 | C11 | C12 | H17 | 180.0° | 179.8° |
| C10 | C11 | C12 | C13 | 175.3° | 179.5° |
| C10 | C11 | C12 | H18 | 4.7° | 1.0° |
| C11 | C10 | C9 | H13 | 179.8° | 133.2° |
| C11 | C10 | C9 | H14 | 61.7° | 13.2° |
| C11 | C10 | H15 | H16 | 118.4° | 120.0° |
| C11 | C12 | C13 | H18 | 180.0° | 179.5° |
| C11 | C12 | C13 | C14 | 12.7° | 7.5° |
| C11 | C12 | C13 | C18 | 165.7° | 171.6° |
| C12 | C11 | C10 | H15 | 163.0° | 166.3° |
| C12 | C11 | C10 | H16 | 78.0° | 73.7° |
| C12 | C13 | C14 | C18 | 178.5° | 179.2° |
| C12 | C13 | C14 | C15 | 179.2° | 179.8° |
| C12 | C13 | C18 | C17 | 178.8° | 179.5° |
| C12 | C13 | C18 | C19 | 0.6° | 1.0° |
| C13 | C12 | C11 | H17 | 4.7° | 0.3° |
| C12 | C13 | C14 | H19 | 0.8° | 0.1° |
| C13 | C14 | C15 | H19 | 180.0° | 180.0° |
| C13 | C14 | C15 | O4 | 179.9° | 179.9° |
| C13 | C14 | C15 | C16 | 0.4° | 0.1° |
| C14 | C13 | C18 | C17 | 0.4° | 1.3° |
| C14 | C13 | C18 | C19 | 179.0° | 178.2° |
| C14 | C13 | C12 | H18 | 167.3° | 172.0° |
| C18 | C13 | C14 | C15 | 0.7° | 1.0° |
| C13 | C18 | C17 | C16 | 0.2° | 0.7° |
| C13 | C18 | C17 | O5 | 180.0° | 179.3° |
| C13 | C18 | C17 | C19 | 179.5° | 179.5° |
| C13 | C18 | C19 | O6 | 171.5° | 0.8° |
| C13 | C18 | C19 | O7 | 8.2° | 179.1° |
| C18 | C13 | C12 | H18 | 14.3° | 8.8° |
| C18 | C13 | C14 | H19 | 179.3° | 179.0° |
| C14 | C15 | O4 | C16 | 179.7° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.6° |
| C14 | C15 | C16 | H21 | 179.8° | 179.4° |
| C14 | C15 | O4 | H20 | 180.0° | 90.0° |
| O4 | C15 | C16 | C17 | 179.5° | 179.4° |
| O4 | C15 | C14 | H19 | 0.1° | 0.1° |
| O4 | C15 | C16 | H21 | 0.5° | 0.5° |
| C15 | C16 | C17 | H21 | 180.0° | 179.9° |
| C15 | C16 | C17 | O5 | 179.7° | 179.8° |
| C15 | C16 | C17 | C18 | 0.5° | 0.3° |
| C16 | C15 | C14 | H19 | 179.6° | 180.0° |
| C16 | C15 | O4 | H20 | 0.3° | 90.0° |
| C16 | C17 | O5 | C18 | 179.8° | 180.0° |
| C16 | C17 | C18 | C19 | 179.7° | 178.8° |
| C16 | C17 | O5 | H22 | 176.4° | 90.1° |
| O5 | C17 | C18 | C19 | 0.6° | 1.2° |
| O5 | C17 | C16 | H21 | 0.3° | 0.2° |
| C17 | C18 | C19 | O6 | 7.9° | 179.7° |
| C17 | C18 | C19 | O7 | 172.4° | 0.3° |
| C18 | C17 | C16 | H21 | 179.5° | 179.8° |
| C18 | C17 | O5 | H22 | 3.8° | 90.0° |
| C18 | C19 | O6 | O7 | 179.7° | 179.9° |
| C19 | O7 | C2 | H4 | 41.4° | 86.1° |
| H1 | C1 | H3 | H2 | 120.0° | 119.9° |
| H1 | C1 | C2 | H4 | 57.3° | 60.0° |
| H3 | C1 | C2 | H4 | 177.3° | 60.0° |
| H2 | C1 | C2 | H4 | 62.8° | 180.0° |
| H4 | C2 | C3 | H6 | 71.8° | 136.4° |
| H4 | C2 | C3 | H5 | 170.4° | 103.7° |
| H6 | C3 | C4 | H7 | 141.2° | 176.1° |
| H6 | C3 | C4 | H41 | 22.7° | 56.1° |
| H5 | C3 | C4 | H7 | 101.0° | 64.0° |
| H5 | C3 | C4 | H41 | 140.5° | 176.0° |
| H17 | C11 | C12 | H18 | 175.3° | 179.2° |
| H17 | C11 | C10 | H15 | 17.0° | 13.5° |
| H17 | C11 | C10 | H16 | 102.0° | 106.5° |
| H11 | C8 | C7 | H9 | 68.6° | 140.8° |
| H11 | C8 | C9 | H13 | 163.5° | 179.1° |
| H11 | C8 | C9 | H14 | 78.0° | 59.1° |
| H11 | C8 | O3 | H12 | 60.1° | 59.9° |
| H7 | C4 | C5 | H8 | 87.9° | 109.9° |
| H7 | C4 | C5 | H51 | 153.0° | 130.3° |
| H41 | C4 | C5 | H8 | 30.6° | 10.2° |
| H41 | C4 | C5 | H51 | 88.6° | 109.7° |
| H9 | C7 | O2 | H10 | 60.5° | 60.0° |
| H13 | C9 | C10 | H15 | 59.3° | 13.2° |
| H13 | C9 | C10 | H16 | 59.7° | 106.8° |
| H14 | C9 | C10 | H15 | 177.8° | 106.8° |
| H14 | C9 | C10 | H16 | 58.8° | 133.2° |
