WMI
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 | 1.52Å | 1.53Å | |
| C2 | O7 | sing | 1.45Å | 1.47Å | |
| C3 | C4 | sing | 1.52Å | 1.52Å | |
| C4 | C5 | sing | 1.54Å | 1.51Å | |
| 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 | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.48Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C17 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | O4 | sing | 1.36Å | 1.37Å | |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | O5 | sing | 1.36Å | 1.36Å | |
| C16 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.47Å | 1.49Å | |
| C18 | O6 | doub | 1.21Å | 1.21Å | |
| C18 | O7 | sing | 1.34Å | 1.34Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.10Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.10Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.10Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.10Å | 1.10Å | |
| C10 | H16 | sing | 1.10Å | 1.10Å | |
| C10 | H15 | sing | 1.08Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | 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 | 112.9° | 112.0° |
| C1 | C2 | O7 | 108.5° | 110.2° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.5° | 107.7° |
| C3 | C2 | O7 | 106.4° | 111.1° |
| C2 | C3 | C4 | 117.5° | 112.5° |
| C3 | C2 | H4 | 109.3° | 107.9° |
| C2 | C3 | H6 | 107.4° | 109.7° |
| C2 | C3 | H5 | 107.4° | 109.0° |
| C2 | O7 | C18 | 118.0° | 120.4° |
| O7 | C2 | H4 | 110.2° | 107.8° |
| C3 | C4 | C5 | 113.5° | 109.1° |
| C4 | C3 | H6 | 107.4° | 109.3° |
| C4 | C3 | H5 | 107.4° | 108.8° |
| C3 | C4 | H7 | 108.5° | 110.2° |
| C3 | C4 | H41 | 108.4° | 110.9° |
| C4 | C5 | C6 | 116.8° | 109.2° |
| C5 | C4 | H7 | 108.4° | 108.0° |
| C5 | C4 | H41 | 108.5° | 108.2° |
| C4 | C5 | H8 | 107.6° | 109.3° |
| C4 | C5 | H51 | 107.6° | 109.2° |
| C5 | C6 | O1 | 121.6° | 119.9° |
| C5 | C6 | C7 | 119.0° | 120.1° |
| C6 | C5 | H8 | 107.6° | 109.7° |
| C6 | C5 | H51 | 107.6° | 109.7° |
| O1 | C6 | C7 | 119.4° | 120.0° |
| C6 | C7 | O2 | 112.5° | 109.2° |
| C6 | C7 | C8 | 109.0° | 109.7° |
| C6 | C7 | H9 | 108.6° | 109.3° |
| O2 | C7 | C8 | 108.0° | 109.5° |
| O2 | C7 | H9 | 110.2° | 109.3° |
| C7 | O2 | H10 | 109.5° | 114.0° |
| C7 | C8 | O3 | 110.4° | 110.0° |
| C7 | C8 | C9 | 110.5° | 110.1° |
| C8 | C7 | H9 | 108.6° | 109.8° |
| C7 | C8 | H11 | 108.8° | 108.6° |
| O3 | C8 | C9 | 108.3° | 110.7° |
| O3 | C8 | H11 | 110.1° | 108.6° |
| C8 | O3 | H12 | 109.5° | 114.0° |
| C8 | C9 | C10 | 111.4° | 111.3° |
| C9 | C8 | H11 | 108.8° | 108.8° |
| C8 | C9 | H13 | 109.0° | 109.5° |
| C8 | C9 | H14 | 109.0° | 109.1° |
| C9 | C10 | C11 | 114.6° | 109.8° |
| C10 | C9 | H13 | 109.0° | 109.4° |
| C10 | C9 | H14 | 109.0° | 109.1° |
| C9 | C10 | H16 | 108.2° | 108.9° |
| C9 | C10 | H15 | 108.2° | 111.1° |
| C10 | C11 | C12 | 112.2° | 109.6° |
| C11 | C10 | H16 | 108.2° | 108.6° |
| C11 | C10 | H15 | 108.1° | 109.7° |
| C10 | C11 | H17 | 108.8° | 110.3° |
| C10 | C11 | H18 | 108.8° | 109.0° |
| C11 | C12 | C13 | 117.7° | 118.8° |
| C11 | C12 | C17 | 123.3° | 121.3° |
| C12 | C11 | H17 | 108.8° | 110.1° |
| C12 | C11 | H18 | 108.8° | 108.9° |
| C13 | C12 | C17 | 119.0° | 119.9° |
| C12 | C13 | C14 | 121.6° | 120.4° |
| C12 | C13 | H19 | 119.2° | 119.6° |
| C12 | C17 | C16 | 118.0° | 119.5° |
| C12 | C17 | C18 | 126.6° | 121.1° |
| C13 | C14 | O4 | 119.9° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.1° |
| C14 | C13 | H19 | 119.2° | 119.9° |
| O4 | C14 | C15 | 120.1° | 119.9° |
| C14 | O4 | H20 | 109.5° | 114.0° |
| C14 | C15 | C16 | 119.4° | 120.0° |
| C14 | C15 | H21 | 120.3° | 120.1° |
| C15 | C16 | O5 | 116.4° | 119.5° |
| C15 | C16 | C17 | 122.0° | 120.0° |
| C16 | C15 | H21 | 120.3° | 119.9° |
| O5 | C16 | C17 | 121.6° | 120.5° |
| C16 | O5 | H22 | 109.5° | 114.0° |
| C16 | C17 | C18 | 115.4° | 119.4° |
| C17 | C18 | O6 | 122.1° | 119.7° |
| C17 | C18 | O7 | 116.6° | 119.7° |
| O6 | C18 | O7 | 121.0° | 120.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H6 | C3 | H5 | 109.4° | 107.4° |
| H7 | C4 | H41 | 109.4° | 110.2° |
| H13 | C9 | H14 | 109.5° | 108.3° |
| H16 | C10 | H15 | 109.5° | 108.6° |
| H17 | C11 | H18 | 109.4° | 109.0° |
| H8 | C5 | H51 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | O7 | 118.9° | 123.7° |
| C1 | C2 | C3 | H4 | 122.1° | 118.4° |
| C1 | C2 | O7 | H4 | 119.8° | 117.3° |
| C1 | C2 | C3 | C4 | 177.1° | 13.5° |
| C1 | C2 | O7 | C18 | 72.4° | 79.4° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H6 | 56.0° | 135.4° |
| C1 | C2 | C3 | H5 | 61.7° | 107.2° |
| C3 | C2 | O7 | H4 | 118.4° | 118.0° |
| C2 | C3 | C4 | H6 | 121.2° | 122.1° |
| C2 | C3 | C4 | H5 | 121.2° | 120.9° |
| C2 | C3 | C4 | C5 | 173.4° | 171.3° |
| C3 | C2 | O7 | C18 | 165.9° | 45.4° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 180.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C2 | C3 | H6 | H5 | 116.3° | 118.4° |
| C2 | C3 | C4 | H7 | 52.8° | 70.2° |
| C2 | C3 | C4 | H41 | 66.0° | 52.1° |
| O7 | C2 | C3 | C4 | 63.9° | 110.2° |
| C2 | O7 | C18 | C17 | 175.0° | 176.9° |
| C2 | O7 | C18 | O6 | 11.3° | 4.2° |
| O7 | C2 | C1 | H1 | 62.3° | 175.8° |
| O7 | C2 | C1 | H2 | 57.7° | 55.8° |
| O7 | C2 | C1 | H3 | 177.7° | 64.2° |
| O7 | C2 | C3 | H6 | 174.9° | 11.7° |
| O7 | C2 | C3 | H5 | 57.3° | 129.1° |
| C3 | C4 | C5 | H7 | 120.6° | 119.9° |
| C3 | C4 | C5 | H41 | 120.6° | 120.8° |
| C3 | C4 | C5 | C6 | 55.4° | 126.9° |
| C4 | C3 | C2 | H4 | 55.1° | 131.9° |
| C4 | C3 | H6 | H5 | 116.3° | 117.8° |
| C3 | C4 | H7 | H41 | 118.1° | 122.8° |
| C3 | C4 | C5 | H8 | 176.5° | 6.9° |
| C3 | C4 | C5 | H51 | 65.7° | 113.2° |
| C4 | C5 | C6 | H8 | 121.1° | 119.7° |
| C4 | C5 | C6 | H51 | 121.1° | 119.7° |
| C4 | C5 | C6 | O1 | 80.1° | 97.0° |
| C4 | C5 | C6 | C7 | 99.7° | 83.2° |
| C5 | C4 | C3 | H6 | 65.4° | 49.2° |
| C5 | C4 | C3 | H5 | 52.2° | 67.8° |
| C5 | C4 | H7 | H41 | 118.2° | 118.0° |
| C4 | C5 | H8 | H51 | 116.7° | 119.7° |
| C5 | C6 | O1 | C7 | 179.9° | 179.7° |
| C5 | C6 | C7 | O2 | 174.9° | 100.1° |
| C5 | C6 | C7 | C8 | 65.4° | 139.9° |
| C6 | C5 | C4 | H7 | 65.3° | 113.2° |
| C6 | C5 | C4 | H41 | 176.0° | 6.0° |
| C5 | C6 | C7 | H9 | 52.7° | 19.4° |
| C6 | C5 | H8 | H51 | 116.6° | 120.6° |
| O1 | C6 | C7 | O2 | 5.2° | 79.6° |
| O1 | C6 | C7 | C8 | 114.4° | 40.4° |
| O1 | C6 | C7 | H9 | 127.4° | 160.9° |
| O1 | C6 | C5 | H8 | 158.8° | 143.2° |
| O1 | C6 | C5 | H51 | 40.9° | 22.6° |
| C6 | C7 | O2 | C8 | 120.2° | 120.2° |
| C6 | C7 | O2 | H9 | 121.3° | 119.6° |
| C6 | C7 | C8 | H9 | 118.1° | 120.2° |
| C6 | C7 | C8 | O3 | 179.7° | 46.2° |
| C6 | C7 | C8 | C9 | 60.6° | 168.4° |
| C6 | C7 | C8 | H11 | 58.8° | 72.5° |
| C7 | C6 | C5 | H8 | 21.4° | 36.5° |
| C7 | C6 | C5 | H51 | 139.2° | 157.1° |
| C6 | C7 | O2 | H10 | 2.3° | 60.0° |
| O2 | C7 | C8 | H9 | 119.5° | 120.0° |
| O2 | C7 | C8 | O3 | 57.9° | 166.1° |
| O2 | C7 | C8 | C9 | 61.8° | 71.7° |
| O2 | C7 | C8 | H11 | 178.8° | 47.3° |
| C7 | C8 | O3 | C9 | 121.0° | 121.9° |
| C7 | C8 | O3 | H11 | 120.1° | 118.8° |
| C7 | C8 | C9 | H11 | 119.4° | 118.9° |
| C7 | C8 | C9 | C10 | 161.9° | 85.7° |
| C7 | C8 | C9 | H13 | 77.7° | 35.5° |
| C7 | C8 | C9 | H14 | 41.7° | 153.8° |
| C8 | C7 | O2 | H10 | 117.9° | 179.9° |
| C7 | C8 | O3 | H12 | 180.0° | 60.0° |
| O3 | C8 | C9 | H11 | 119.6° | 119.2° |
| O3 | C8 | C9 | C10 | 77.1° | 36.1° |
| O3 | C8 | C7 | H9 | 61.5° | 74.0° |
| O3 | C8 | C9 | H13 | 43.3° | 157.3° |
| O3 | C8 | C9 | H14 | 162.7° | 84.3° |
| C8 | C9 | C10 | H13 | 120.3° | 121.2° |
| C8 | C9 | C10 | H14 | 120.3° | 120.5° |
| C8 | C9 | C10 | C11 | 171.2° | 101.9° |
| C9 | C8 | C7 | H9 | 178.7° | 48.2° |
| C8 | C9 | H13 | H14 | 119.1° | 118.8° |
| C8 | C9 | C10 | H16 | 50.4° | 139.3° |
| C8 | C9 | C10 | H15 | 68.1° | 19.7° |
| C9 | C8 | O3 | H12 | 59.0° | 178.2° |
| C9 | C10 | C11 | H16 | 120.8° | 119.0° |
| C9 | C10 | C11 | H15 | 120.8° | 122.4° |
| C9 | C10 | C11 | C12 | 168.1° | 179.7° |
| C10 | C9 | C8 | H11 | 42.5° | 155.4° |
| C10 | C9 | H13 | H14 | 119.1° | 118.9° |
| C9 | C10 | H16 | H15 | 117.7° | 121.2° |
| C9 | C10 | C11 | H17 | 71.4° | 58.9° |
| C9 | C10 | C11 | H18 | 47.7° | 60.7° |
| C10 | C11 | C12 | H17 | 120.4° | 121.5° |
| C10 | C11 | C12 | H18 | 120.4° | 119.1° |
| C10 | C11 | C12 | C13 | 87.7° | 93.0° |
| C10 | C11 | C12 | C17 | 92.6° | 87.1° |
| C11 | C10 | C9 | H13 | 68.5° | 19.3° |
| C11 | C10 | C9 | H14 | 50.9° | 137.7° |
| C11 | C10 | H16 | H15 | 117.6° | 119.3° |
| C10 | C11 | H17 | H18 | 118.8° | 119.6° |
| C11 | C12 | C13 | C17 | 179.7° | 179.9° |
| C11 | C12 | C13 | C14 | 179.0° | 179.6° |
| C11 | C12 | C17 | C16 | 179.1° | 179.2° |
| C11 | C12 | C17 | C18 | 3.2° | 1.9° |
| C12 | C11 | C10 | H16 | 47.4° | 60.8° |
| C12 | C11 | C10 | H15 | 71.1° | 57.8° |
| C12 | C11 | H17 | H18 | 118.8° | 119.4° |
| C11 | C12 | C13 | H19 | 1.0° | 0.3° |
| C12 | C13 | C14 | H19 | 180.0° | 179.9° |
| C12 | C13 | C14 | O4 | 179.8° | 179.9° |
| C12 | C13 | C14 | C15 | 0.7° | 0.1° |
| C13 | C12 | C17 | C16 | 0.6° | 0.7° |
| C13 | C12 | C17 | C18 | 177.1° | 178.2° |
| C13 | C12 | C11 | H17 | 32.7° | 145.5° |
| C13 | C12 | C11 | H18 | 151.9° | 26.0° |
| C17 | C12 | C13 | C14 | 0.7° | 0.3° |
| C12 | C17 | C16 | C15 | 0.6° | 0.8° |
| C12 | C17 | C16 | O5 | 179.0° | 179.5° |
| C12 | C17 | C16 | C18 | 177.9° | 179.0° |
| C12 | C17 | C18 | O6 | 175.4° | 18.0° |
| C12 | C17 | C18 | O7 | 11.0° | 160.8° |
| C17 | C12 | C11 | H17 | 146.9° | 34.4° |
| C17 | C12 | C11 | H18 | 27.8° | 153.9° |
| C17 | C12 | C13 | H19 | 179.3° | 179.8° |
| C13 | C14 | O4 | C15 | 179.1° | 180.0° |
| C13 | C14 | C15 | C16 | 0.7° | 0.0° |
| C13 | C14 | C15 | H21 | 179.3° | 179.9° |
| C13 | C14 | O4 | H20 | 180.0° | 90.0° |
| O4 | C14 | C15 | C16 | 179.8° | 180.0° |
| O4 | C14 | C13 | H19 | 0.2° | 0.2° |
| O4 | C14 | C15 | H21 | 0.2° | 0.1° |
| C14 | C15 | C16 | H21 | 180.0° | 179.9° |
| C14 | C15 | C16 | O5 | 179.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.7° | 0.5° |
| C15 | C14 | C13 | H19 | 179.3° | 179.8° |
| C15 | C14 | O4 | H20 | 0.9° | 90.0° |
| C15 | C16 | O5 | C17 | 179.6° | 179.7° |
| C15 | C16 | C17 | C18 | 177.3° | 178.1° |
| C15 | C16 | O5 | H22 | 179.7° | 90.0° |
| O5 | C16 | C17 | C18 | 3.0° | 1.5° |
| O5 | C16 | C15 | H21 | 1.0° | 0.2° |
| C16 | C17 | C18 | O6 | 6.9° | 160.9° |
| C16 | C17 | C18 | O7 | 166.8° | 20.2° |
| C17 | C16 | C15 | H21 | 179.3° | 179.5° |
| C17 | C16 | O5 | H22 | 0.1° | 89.6° |
| C17 | C18 | O6 | O7 | 173.4° | 178.8° |
| C18 | O7 | C2 | H4 | 47.5° | 163.4° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 58.0° | 58.5° |
| H2 | C1 | C2 | H4 | 178.0° | 61.5° |
| H3 | C1 | C2 | H4 | 62.0° | 178.5° |
| H4 | C2 | C3 | H6 | 66.1° | 106.2° |
| H4 | C2 | C3 | H5 | 176.2° | 11.2° |
| H6 | C3 | C4 | H7 | 174.0° | 167.7° |
| H6 | C3 | C4 | H41 | 55.2° | 70.0° |
| H5 | C3 | C4 | H7 | 68.4° | 50.7° |
| H5 | C3 | C4 | H41 | 172.9° | 173.0° |
| H7 | C4 | C5 | H8 | 55.8° | 126.8° |
| H7 | C4 | C5 | H51 | 173.7° | 6.7° |
| H41 | C4 | C5 | H8 | 62.9° | 113.9° |
| H41 | C4 | C5 | H51 | 54.9° | 126.0° |
| H9 | C7 | C8 | H11 | 59.4° | 167.3° |
| H9 | C7 | O2 | H10 | 123.6° | 59.6° |
| H11 | C8 | C9 | H13 | 162.9° | 83.5° |
| H11 | C8 | C9 | H14 | 77.7° | 34.9° |
| H11 | C8 | O3 | H12 | 59.9° | 58.8° |
| H13 | C9 | C10 | H16 | 170.7° | 99.5° |
| H13 | C9 | C10 | H15 | 52.2° | 140.9° |
| H14 | C9 | C10 | H16 | 69.9° | 18.9° |
| H14 | C9 | C10 | H15 | 171.6° | 100.7° |
| H16 | C10 | C11 | H17 | 167.8° | 177.9° |
| H16 | C10 | C11 | H18 | 73.1° | 58.2° |
| H15 | C10 | C11 | H17 | 49.3° | 63.5° |
| H15 | C10 | C11 | H18 | 168.5° | 176.9° |
