WU3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C15 | S14 | sing | 1.81Å | 1.81Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C12 | S14 | sing | 1.81Å | 1.82Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C11 | O27 | doub | 1.21Å | 1.23Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C11 | O1 | sing | 1.34Å | 1.33Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 113.9° | 109.5° |
| C16 | C17 | C18 | 113.6° | 109.5° |
| C17 | C16 | H8 | 108.4° | 109.4° |
| C17 | C16 | H9 | 108.3° | 109.4° |
| C16 | C17 | H10 | 108.4° | 109.4° |
| C16 | C17 | H11 | 108.4° | 109.5° |
| C16 | C15 | S14 | 110.9° | 109.4° |
| C15 | C16 | H8 | 108.3° | 109.5° |
| C15 | C16 | H9 | 108.4° | 109.5° |
| C16 | C15 | H18 | 109.1° | 109.4° |
| C16 | C15 | H19 | 109.1° | 109.5° |
| C19 | C18 | C17 | 114.4° | 109.5° |
| C18 | C19 | C20 | 113.1° | 109.5° |
| C19 | C18 | H12 | 108.2° | 109.5° |
| C19 | C18 | H13 | 108.2° | 109.5° |
| C18 | C19 | H14 | 108.6° | 109.5° |
| C18 | C19 | H15 | 108.6° | 109.5° |
| C18 | C17 | H10 | 108.4° | 109.5° |
| C18 | C17 | H11 | 108.4° | 109.5° |
| C17 | C18 | H12 | 108.2° | 109.4° |
| C17 | C18 | H13 | 108.2° | 109.5° |
| C19 | C20 | C21 | 114.3° | 109.4° |
| C20 | C19 | H14 | 108.5° | 109.5° |
| C20 | C19 | H15 | 108.5° | 109.4° |
| C19 | C20 | H16 | 108.2° | 109.4° |
| C19 | C20 | H17 | 108.3° | 109.5° |
| C20 | C21 | C22 | 113.2° | 109.4° |
| C20 | C21 | H6 | 108.5° | 109.5° |
| C20 | C21 | H7 | 108.6° | 109.5° |
| C21 | C20 | H16 | 108.3° | 109.5° |
| C21 | C20 | H17 | 108.2° | 109.5° |
| C15 | S14 | C12 | 101.4° | 103.0° |
| S14 | C15 | H18 | 109.1° | 109.5° |
| S14 | C15 | H19 | 109.1° | 109.5° |
| C21 | C22 | C23 | 112.6° | 109.5° |
| C22 | C21 | H6 | 108.6° | 109.5° |
| C22 | C21 | H7 | 108.5° | 109.4° |
| C21 | C22 | H22 | 108.7° | 109.5° |
| C21 | C22 | H23 | 108.7° | 109.5° |
| C13 | C12 | C11 | 112.5° | 109.5° |
| C13 | C12 | S14 | 111.4° | 109.5° |
| C13 | C12 | H2 | 108.6° | 109.5° |
| C12 | C13 | H3 | 109.5° | 109.5° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| C12 | C13 | H5 | 109.5° | 109.5° |
| C11 | C12 | S14 | 109.9° | 109.5° |
| C12 | C11 | O27 | 121.7° | 120.0° |
| C11 | C12 | H2 | 108.7° | 109.4° |
| C12 | C11 | O1 | 115.2° | 120.1° |
| S14 | C12 | H2 | 105.3° | 109.5° |
| C22 | C23 | C24 | 114.9° | 109.5° |
| C22 | C23 | H20 | 108.1° | 109.4° |
| C22 | C23 | H21 | 108.1° | 109.5° |
| C23 | C22 | H22 | 108.7° | 109.4° |
| C23 | C22 | H23 | 108.7° | 109.4° |
| O27 | C11 | O1 | 123.1° | 120.0° |
| C23 | C24 | C25 | 111.6° | 109.5° |
| C24 | C23 | H20 | 108.1° | 109.5° |
| C24 | C23 | H21 | 108.1° | 109.4° |
| C23 | C24 | H24 | 108.9° | 109.5° |
| C23 | C24 | H25 | 108.9° | 109.5° |
| C24 | C25 | C26 | 113.5° | 109.5° |
| C25 | C24 | H24 | 108.9° | 109.5° |
| C25 | C24 | H25 | 109.0° | 109.5° |
| C24 | C25 | H26 | 108.5° | 109.5° |
| C24 | C25 | H27 | 108.5° | 109.5° |
| C26 | C25 | H26 | 108.4° | 109.5° |
| C26 | C25 | H27 | 108.4° | 109.4° |
| C25 | C26 | H28 | 109.5° | 109.5° |
| C25 | C26 | H29 | 109.5° | 109.5° |
| C25 | C26 | H30 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H3 | C13 | H5 | 109.4° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.4° |
| H12 | C18 | H13 | 109.5° | 109.4° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H22 | C22 | H23 | 109.4° | 109.5° |
| H24 | C24 | H25 | 109.5° | 109.4° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.4° | 109.5° |
| H28 | C26 | H30 | 109.5° | 109.4° |
| H29 | C26 | H30 | 109.5° | 109.4° |
| C11 | O1 | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | H8 | 120.6° | 120.0° |
| C17 | C16 | C15 | H9 | 120.6° | 120.0° |
| C16 | C17 | C18 | C19 | 168.3° | 180.0° |
| C16 | C17 | C18 | H10 | 120.6° | 120.0° |
| C16 | C17 | C18 | H11 | 120.6° | 120.0° |
| C17 | C16 | C15 | S14 | 81.6° | 180.0° |
| C17 | C16 | H8 | H9 | 118.0° | 119.9° |
| C16 | C17 | H10 | H11 | 118.1° | 119.9° |
| C16 | C17 | C18 | H12 | 47.6° | 60.0° |
| C16 | C17 | C18 | H13 | 71.0° | 60.0° |
| C17 | C16 | C15 | H18 | 38.6° | 60.0° |
| C17 | C16 | C15 | H19 | 158.1° | 60.0° |
| C15 | C16 | C17 | C18 | 164.0° | 180.0° |
| C16 | C15 | S14 | H18 | 120.2° | 120.0° |
| C16 | C15 | S14 | H19 | 120.2° | 120.0° |
| C16 | C15 | S14 | C12 | 79.0° | 180.0° |
| C15 | C16 | H8 | H9 | 118.0° | 120.1° |
| C15 | C16 | C17 | H10 | 75.4° | 59.9° |
| C15 | C16 | C17 | H11 | 43.4° | 59.9° |
| C16 | C15 | H18 | H19 | 119.4° | 120.0° |
| C19 | C18 | C17 | H12 | 120.7° | 120.0° |
| C19 | C18 | C17 | H13 | 120.7° | 120.1° |
| C18 | C19 | C20 | H14 | 120.5° | 120.0° |
| C18 | C19 | C20 | H15 | 120.5° | 120.0° |
| C18 | C19 | C20 | C21 | 173.5° | 180.0° |
| C19 | C18 | C17 | H10 | 47.7° | 60.0° |
| C19 | C18 | C17 | H11 | 71.1° | 59.9° |
| C19 | C18 | H12 | H13 | 117.7° | 120.0° |
| C18 | C19 | H14 | H15 | 118.4° | 120.1° |
| C18 | C19 | C20 | H16 | 65.8° | 60.0° |
| C18 | C19 | C20 | H17 | 52.8° | 60.0° |
| C17 | C18 | C19 | C20 | 160.0° | 180.0° |
| C18 | C17 | C16 | H8 | 75.4° | 59.9° |
| C18 | C17 | C16 | H9 | 43.3° | 60.0° |
| C18 | C17 | H10 | H11 | 118.1° | 120.0° |
| C17 | C18 | H12 | H13 | 117.8° | 120.0° |
| C17 | C18 | C19 | H14 | 79.5° | 60.1° |
| C17 | C18 | C19 | H15 | 39.5° | 60.0° |
| C19 | C20 | C21 | H16 | 120.7° | 120.0° |
| C19 | C20 | C21 | H17 | 120.7° | 120.0° |
| C19 | C20 | C21 | C22 | 166.6° | 180.0° |
| C19 | C20 | C21 | H6 | 72.9° | 60.0° |
| C19 | C20 | C21 | H7 | 46.0° | 60.0° |
| C20 | C19 | C18 | H12 | 79.3° | 60.0° |
| C20 | C19 | C18 | H13 | 39.3° | 60.0° |
| C20 | C19 | H14 | H15 | 118.3° | 120.0° |
| C19 | C20 | H16 | H17 | 117.8° | 120.0° |
| C20 | C21 | C22 | H6 | 120.6° | 120.0° |
| C20 | C21 | C22 | H7 | 120.5° | 120.0° |
| C20 | C21 | C22 | C23 | 68.3° | 180.0° |
| C20 | C21 | H6 | H7 | 118.3° | 120.1° |
| C21 | C20 | C19 | H14 | 53.0° | 60.0° |
| C21 | C20 | C19 | H15 | 66.0° | 60.0° |
| C21 | C20 | H16 | H17 | 117.8° | 120.1° |
| C20 | C21 | C22 | H22 | 52.2° | 60.0° |
| C20 | C21 | C22 | H23 | 171.2° | 60.1° |
| C15 | S14 | C12 | C13 | 120.9° | 65.0° |
| C15 | S14 | C12 | C11 | 113.7° | 175.0° |
| C15 | S14 | C12 | H2 | 3.3° | 55.0° |
| S14 | C15 | C16 | H8 | 157.7° | 60.0° |
| S14 | C15 | C16 | H9 | 39.0° | 60.0° |
| S14 | C15 | H18 | H19 | 119.4° | 120.0° |
| C21 | C22 | C23 | H22 | 120.5° | 120.1° |
| C21 | C22 | C23 | H23 | 120.5° | 120.0° |
| C21 | C22 | C23 | C24 | 163.5° | 180.0° |
| C22 | C21 | H6 | H7 | 118.3° | 120.0° |
| C22 | C21 | C20 | H16 | 45.9° | 60.0° |
| C22 | C21 | C20 | H17 | 72.7° | 60.0° |
| C21 | C22 | C23 | H20 | 75.7° | 59.9° |
| C21 | C22 | C23 | H21 | 42.7° | 60.0° |
| C21 | C22 | H22 | H23 | 118.5° | 120.0° |
| C13 | C12 | C11 | S14 | 124.8° | 120.0° |
| C13 | C12 | C11 | H2 | 120.4° | 119.9° |
| C13 | C12 | S14 | H2 | 117.6° | 120.0° |
| C13 | C12 | C11 | O27 | 100.9° | 100.0° |
| C12 | C13 | H3 | H4 | 120.0° | 120.0° |
| C12 | C13 | H3 | H5 | 120.0° | 120.0° |
| C12 | C13 | H4 | H5 | 120.0° | 120.0° |
| C13 | C12 | C11 | O1 | 78.6° | 80.2° |
| C11 | C12 | S14 | H2 | 117.0° | 120.0° |
| C12 | C11 | O27 | O1 | 179.5° | 179.7° |
| C11 | C12 | C13 | H3 | 180.0° | 60.0° |
| C11 | C12 | C13 | H4 | 60.0° | 59.9° |
| C11 | C12 | C13 | H5 | 60.0° | 180.0° |
| C12 | C11 | O1 | H1 | 179.5° | 179.8° |
| S14 | C12 | C11 | O27 | 23.8° | 20.0° |
| S14 | C12 | C13 | H3 | 56.0° | 60.0° |
| S14 | C12 | C13 | H4 | 64.0° | 180.0° |
| S14 | C12 | C13 | H5 | 176.0° | 60.0° |
| C12 | S14 | C15 | H18 | 160.8° | 60.0° |
| C12 | S14 | C15 | H19 | 41.2° | 60.0° |
| S14 | C12 | C11 | O1 | 156.7° | 159.7° |
| C22 | C23 | C24 | H20 | 120.8° | 120.0° |
| C22 | C23 | C24 | H21 | 120.8° | 120.0° |
| C22 | C23 | C24 | C25 | 175.7° | 180.0° |
| C23 | C22 | C21 | H6 | 171.2° | 60.0° |
| C23 | C22 | C21 | H7 | 52.3° | 60.0° |
| C22 | C23 | H20 | H21 | 117.5° | 120.0° |
| C23 | C22 | H22 | H23 | 118.6° | 119.9° |
| C22 | C23 | C24 | H24 | 55.4° | 59.9° |
| C22 | C23 | C24 | H25 | 64.0° | 60.0° |
| O27 | C11 | C12 | H2 | 138.7° | 140.0° |
| O27 | C11 | O1 | H1 | 0.0° | 0.0° |
| C23 | C24 | C25 | H24 | 120.3° | 120.0° |
| C23 | C24 | C25 | H25 | 120.3° | 120.0° |
| C23 | C24 | C25 | C26 | 175.1° | 180.0° |
| C24 | C23 | H20 | H21 | 117.5° | 120.0° |
| C24 | C23 | C22 | H22 | 43.0° | 60.0° |
| C24 | C23 | C22 | H23 | 76.0° | 60.0° |
| C23 | C24 | H24 | H25 | 119.0° | 119.9° |
| C23 | C24 | C25 | H26 | 64.3° | 60.0° |
| C23 | C24 | C25 | H27 | 54.5° | 60.0° |
| C24 | C25 | C26 | H26 | 120.6° | 120.0° |
| C24 | C25 | C26 | H27 | 120.6° | 120.0° |
| C25 | C24 | C23 | H20 | 63.5° | 60.0° |
| C25 | C24 | C23 | H21 | 54.9° | 60.0° |
| C25 | C24 | H24 | H25 | 119.1° | 120.0° |
| C24 | C25 | H26 | H27 | 118.2° | 120.0° |
| C24 | C25 | C26 | H28 | 180.0° | 60.0° |
| C24 | C25 | C26 | H29 | 60.0° | 60.0° |
| C24 | C25 | C26 | H30 | 60.0° | 180.0° |
| C26 | C25 | C24 | H24 | 54.8° | 59.9° |
| C26 | C25 | C24 | H25 | 64.6° | 60.0° |
| C26 | C25 | H26 | H27 | 118.1° | 120.0° |
| C25 | C26 | H28 | H29 | 120.0° | 120.1° |
| C25 | C26 | H28 | H30 | 120.0° | 120.0° |
| C25 | C26 | H29 | H30 | 120.0° | 120.0° |
| H2 | C12 | C13 | H3 | 59.5° | 179.9° |
| H2 | C12 | C13 | H4 | 179.6° | 60.0° |
| H2 | C12 | C13 | H5 | 60.4° | 60.0° |
| H2 | C12 | C11 | O1 | 41.8° | 39.7° |
| H3 | C13 | H4 | H5 | 120.0° | 120.0° |
| H6 | C21 | C20 | H16 | 166.5° | 59.9° |
| H6 | C21 | C20 | H17 | 47.8° | 180.0° |
| H6 | C21 | C22 | H22 | 68.3° | 180.0° |
| H6 | C21 | C22 | H23 | 50.7° | 60.0° |
| H7 | C21 | C20 | H16 | 74.6° | 180.0° |
| H7 | C21 | C20 | H17 | 166.8° | 60.0° |
| H7 | C21 | C22 | H22 | 172.7° | 60.0° |
| H7 | C21 | C22 | H23 | 68.2° | 180.0° |
| H8 | C16 | C17 | H10 | 45.2° | 60.1° |
| H8 | C16 | C17 | H11 | 164.0° | 180.0° |
| H8 | C16 | C15 | H18 | 82.1° | 180.0° |
| H8 | C16 | C15 | H19 | 37.5° | 60.0° |
| H9 | C16 | C17 | H10 | 163.9° | 180.0° |
| H9 | C16 | C17 | H11 | 77.3° | 60.1° |
| H9 | C16 | C15 | H18 | 159.2° | 60.0° |
| H9 | C16 | C15 | H19 | 81.2° | 180.0° |
| H10 | C17 | C18 | H12 | 73.0° | 180.0° |
| H10 | C17 | C18 | H13 | 168.4° | 60.0° |
| H11 | C17 | C18 | H12 | 168.2° | 60.1° |
| H11 | C17 | C18 | H13 | 49.6° | 180.0° |
| H12 | C18 | C19 | H14 | 41.3° | 180.0° |
| H12 | C18 | C19 | H15 | 160.2° | 60.0° |
| H13 | C18 | C19 | H14 | 159.8° | 60.0° |
| H13 | C18 | C19 | H15 | 81.2° | 180.0° |
| H14 | C19 | C20 | H16 | 173.7° | 60.0° |
| H14 | C19 | C20 | H17 | 67.7° | 180.0° |
| H15 | C19 | C20 | H16 | 54.7° | 180.0° |
| H15 | C19 | C20 | H17 | 173.3° | 60.0° |
| H20 | C23 | C22 | H22 | 163.9° | 180.0° |
| H20 | C23 | C22 | H23 | 44.8° | 60.0° |
| H20 | C23 | C24 | H24 | 176.2° | 179.9° |
| H20 | C23 | C24 | H25 | 56.8° | 60.0° |
| H21 | C23 | C22 | H22 | 77.8° | 60.0° |
| H21 | C23 | C22 | H23 | 163.2° | 180.0° |
| H21 | C23 | C24 | H24 | 65.4° | 60.1° |
| H21 | C23 | C24 | H25 | 175.2° | 180.0° |
| H24 | C24 | C25 | H26 | 175.4° | 179.9° |
| H24 | C24 | C25 | H27 | 65.8° | 60.0° |
| H25 | C24 | C25 | H26 | 56.0° | 60.0° |
| H25 | C24 | C25 | H27 | 174.8° | 180.0° |
| H26 | C25 | C26 | H28 | 59.4° | 180.0° |
| H26 | C25 | C26 | H29 | 179.4° | 60.0° |
| H26 | C25 | C26 | H30 | 60.6° | 60.0° |
| H27 | C25 | C26 | H28 | 59.4° | 60.0° |
| H27 | C25 | C26 | H29 | 60.6° | 180.0° |
| H27 | C25 | C26 | H30 | 179.4° | 60.0° |
| H28 | C26 | H29 | H30 | 119.9° | 119.9° |
