YO3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | C16 | sing | 1.41Å | 1.37Å | Aromatic |
| C11 | O10 | sing | 1.35Å | 1.38Å | Aromatic |
| C16 | N17 | sing | 1.36Å | 1.35Å | Aromatic |
| O10 | C09 | sing | 1.35Å | 1.35Å | Aromatic |
| N17 | C18 | sing | 1.47Å | 1.46Å | |
| N17 | C09 | doub | 1.32Å | 1.32Å | Aromatic |
| C09 | C08 | sing | 1.41Å | 1.51Å | |
| C08 | C07 | doub | 1.37Å | 1.31Å | |
| C07 | C06 | sing | 1.40Å | 1.53Å | |
| C04 | C03 | doub | 1.35Å | 1.39Å | |
| C04 | C05 | sing | 1.42Å | 1.39Å | |
| C03 | N02 | sing | 1.36Å | 1.33Å | |
| C06 | C05 | doub | 1.39Å | 1.31Å | |
| C05 | C19 | sing | 1.48Å | 1.39Å | |
| N02 | C01 | sing | 1.47Å | 1.45Å | |
| N02 | C24 | sing | 1.38Å | 1.38Å | |
| C19 | C24 | doub | 1.40Å | 1.36Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.43Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.43Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 121.1° | 120.5° |
| C13 | C14 | C15 | 119.6° | 120.4° |
| C14 | C13 | H11 | 119.4° | 119.8° |
| C13 | C14 | H12 | 120.2° | 119.8° |
| C13 | C12 | C11 | 118.9° | 120.0° |
| C13 | C12 | H10 | 120.5° | 120.0° |
| C12 | C13 | H11 | 119.5° | 119.8° |
| C14 | C15 | C16 | 119.7° | 119.7° |
| C15 | C14 | H12 | 120.2° | 119.8° |
| C14 | C15 | H13 | 120.2° | 120.1° |
| C12 | C11 | C16 | 119.9° | 119.8° |
| C12 | C11 | O10 | 132.1° | 133.6° |
| C11 | C12 | H10 | 120.5° | 120.1° |
| C15 | C16 | C11 | 120.8° | 119.6° |
| C15 | C16 | N17 | 131.7° | 133.5° |
| C16 | C15 | H13 | 120.1° | 120.2° |
| C16 | C11 | O10 | 107.9° | 106.6° |
| C11 | C16 | N17 | 107.5° | 106.8° |
| C11 | O10 | C09 | 105.9° | 108.1° |
| C16 | N17 | C18 | 126.8° | 125.7° |
| C16 | N17 | C09 | 107.9° | 108.7° |
| O10 | C09 | N17 | 110.8° | 109.8° |
| O10 | C09 | C08 | 123.8° | 125.1° |
| C18 | N17 | C09 | 125.2° | 125.7° |
| N17 | C18 | H14 | 109.5° | 109.4° |
| N17 | C18 | H15 | 109.4° | 109.5° |
| N17 | C18 | H16 | 109.5° | 109.4° |
| N17 | C09 | C08 | 125.3° | 125.1° |
| C09 | C08 | C07 | 112.5° | 119.9° |
| C09 | C08 | H8 | 123.7° | 120.0° |
| C08 | C07 | C06 | 122.5° | 120.0° |
| C08 | C07 | H7 | 118.8° | 120.1° |
| C07 | C08 | H8 | 123.8° | 120.0° |
| C07 | C06 | C05 | 115.3° | 120.0° |
| C07 | C06 | H6 | 122.4° | 120.0° |
| C06 | C07 | H7 | 118.7° | 120.0° |
| C03 | C04 | C05 | 118.3° | 120.1° |
| C04 | C03 | N02 | 119.0° | 122.5° |
| C04 | C03 | H4 | 120.5° | 118.7° |
| C03 | C04 | H5 | 120.9° | 120.0° |
| C04 | C05 | C06 | 121.0° | 121.1° |
| C04 | C05 | C19 | 121.8° | 117.8° |
| C05 | C04 | H5 | 120.8° | 119.9° |
| C03 | N02 | C01 | 117.6° | 119.2° |
| C03 | N02 | C24 | 123.2° | 121.6° |
| N02 | C03 | H4 | 120.5° | 118.8° |
| C06 | C05 | C19 | 117.2° | 121.1° |
| C05 | C06 | H6 | 122.4° | 120.0° |
| C05 | C19 | C24 | 117.9° | 118.5° |
| C05 | C19 | C20 | 119.7° | 121.4° |
| C01 | N02 | C24 | 119.2° | 119.2° |
| N02 | C01 | H1 | 109.5° | 109.4° |
| N02 | C01 | H2 | 109.4° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| N02 | C24 | C19 | 119.8° | 119.5° |
| N02 | C24 | C23 | 121.8° | 121.0° |
| C24 | C19 | C20 | 122.4° | 120.1° |
| C19 | C24 | C23 | 118.4° | 119.4° |
| C19 | C20 | C21 | 119.1° | 119.6° |
| C19 | C20 | H17 | 120.5° | 120.2° |
| C24 | C23 | C22 | 119.9° | 119.8° |
| C24 | C23 | H20 | 120.1° | 120.1° |
| C20 | C21 | C22 | 119.3° | 120.3° |
| C21 | C20 | H17 | 120.5° | 120.2° |
| C20 | C21 | H18 | 120.3° | 119.8° |
| C23 | C22 | C21 | 120.9° | 120.7° |
| C23 | C22 | H19 | 119.6° | 119.7° |
| C22 | C23 | H20 | 120.0° | 120.1° |
| C22 | C21 | H18 | 120.3° | 119.8° |
| C21 | C22 | H19 | 119.5° | 119.6° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H14 | C18 | H16 | 109.4° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H11 | 180.0° | 180.0° |
| C13 | C14 | C15 | H12 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.7° | 0.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C12 | H10 | 179.3° | 180.0° |
| C13 | C14 | C15 | H13 | 179.9° | 179.9° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C12 | C11 | H10 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.9° | 0.0° |
| C13 | C12 | C11 | O10 | 179.7° | 180.0° |
| C12 | C13 | C14 | H12 | 179.8° | 179.9° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C14 | C15 | C16 | C11 | 0.2° | 0.0° |
| C14 | C15 | C16 | N17 | 180.0° | 180.0° |
| C15 | C14 | C13 | H11 | 179.8° | 180.0° |
| C12 | C11 | C16 | C15 | 0.7° | 0.0° |
| C12 | C11 | C16 | O10 | 179.5° | 179.9° |
| C12 | C11 | C16 | N17 | 179.4° | 180.0° |
| C12 | C11 | O10 | C09 | 179.6° | 179.8° |
| C11 | C12 | C13 | H11 | 179.3° | 180.0° |
| C15 | C16 | C11 | N17 | 179.9° | 180.0° |
| C15 | C16 | C11 | O10 | 179.8° | 180.0° |
| C15 | C16 | N17 | C18 | 0.1° | 0.2° |
| C15 | C16 | N17 | C09 | 179.6° | 179.8° |
| C16 | C15 | C14 | H12 | 179.9° | 179.9° |
| C16 | C11 | O10 | C09 | 0.2° | 0.2° |
| C11 | C16 | N17 | C18 | 180.0° | 179.8° |
| C11 | C16 | N17 | C09 | 0.3° | 0.2° |
| C16 | C11 | C12 | H10 | 179.1° | 180.0° |
| C11 | C16 | C15 | H13 | 179.8° | 179.9° |
| O10 | C11 | C16 | N17 | 0.1° | 0.0° |
| C11 | O10 | C09 | N17 | 0.4° | 0.3° |
| C11 | O10 | C09 | C08 | 179.2° | 179.9° |
| O10 | C11 | C12 | H10 | 0.3° | 0.1° |
| C16 | N17 | C09 | O10 | 0.5° | 0.3° |
| C16 | N17 | C18 | C09 | 179.6° | 180.0° |
| C16 | N17 | C09 | C08 | 179.2° | 180.0° |
| N17 | C16 | C15 | H13 | 0.1° | 0.1° |
| C16 | N17 | C18 | H14 | 180.0° | 90.0° |
| C16 | N17 | C18 | H15 | 60.0° | 150.0° |
| C16 | N17 | C18 | H16 | 60.0° | 30.0° |
| O10 | C09 | N17 | C18 | 179.9° | 179.7° |
| O10 | C09 | N17 | C08 | 178.8° | 179.7° |
| O10 | C09 | C08 | C07 | 7.0° | 0.4° |
| O10 | C09 | C08 | H8 | 173.0° | 179.7° |
| C18 | N17 | C09 | C08 | 1.1° | 0.0° |
| N17 | C18 | H14 | H15 | 120.0° | 120.0° |
| N17 | C18 | H14 | H16 | 120.0° | 120.0° |
| N17 | C18 | H15 | H16 | 120.0° | 120.0° |
| N17 | C09 | C08 | C07 | 174.4° | 180.0° |
| N17 | C09 | C08 | H8 | 5.6° | 0.1° |
| C09 | N17 | C18 | H14 | 0.4° | 90.0° |
| C09 | N17 | C18 | H15 | 120.4° | 30.0° |
| C09 | N17 | C18 | H16 | 119.6° | 150.0° |
| C09 | C08 | C07 | H8 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 179.8° | 180.0° |
| C09 | C08 | C07 | H7 | 0.2° | 0.0° |
| C08 | C07 | C06 | H7 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 172.3° | 180.0° |
| C08 | C07 | C06 | H6 | 7.7° | 0.0° |
| C07 | C06 | C05 | C04 | 9.6° | 0.0° |
| C07 | C06 | C05 | H6 | 180.0° | 180.0° |
| C07 | C06 | C05 | C19 | 169.7° | 180.0° |
| C06 | C07 | C08 | H8 | 0.3° | 0.0° |
| C03 | C04 | C05 | H5 | 180.0° | 180.0° |
| C04 | C03 | N02 | H4 | 180.0° | 179.8° |
| C03 | C04 | C05 | C06 | 179.2° | 180.0° |
| C03 | C04 | C05 | C19 | 0.0° | 0.0° |
| C04 | C03 | N02 | C01 | 179.6° | 179.7° |
| C04 | C03 | N02 | C24 | 0.1° | 0.0° |
| C05 | C04 | C03 | N02 | 0.2° | 0.0° |
| C04 | C05 | C06 | C19 | 179.2° | 180.0° |
| C04 | C05 | C19 | C24 | 0.3° | 0.0° |
| C04 | C05 | C19 | C20 | 179.8° | 180.0° |
| C05 | C04 | C03 | H4 | 179.8° | 179.8° |
| C04 | C05 | C06 | H6 | 170.4° | 180.0° |
| C03 | N02 | C01 | C24 | 179.5° | 179.7° |
| C03 | N02 | C24 | C19 | 0.2° | 0.0° |
| C03 | N02 | C24 | C23 | 179.8° | 180.0° |
| C03 | N02 | C01 | H1 | 180.0° | 0.0° |
| C03 | N02 | C01 | H2 | 60.0° | 120.0° |
| C03 | N02 | C01 | H3 | 60.0° | 120.0° |
| N02 | C03 | C04 | H5 | 179.8° | 180.0° |
| C06 | C05 | C19 | C24 | 179.5° | 180.0° |
| C06 | C05 | C19 | C20 | 0.6° | 0.0° |
| C06 | C05 | C04 | H5 | 0.8° | 0.0° |
| C05 | C06 | C07 | H7 | 7.7° | 0.0° |
| C05 | C19 | C24 | N02 | 0.4° | 0.0° |
| C05 | C19 | C24 | C20 | 179.9° | 180.0° |
| C05 | C19 | C24 | C23 | 180.0° | 180.0° |
| C05 | C19 | C20 | C21 | 179.9° | 180.0° |
| C19 | C05 | C04 | H5 | 180.0° | 180.0° |
| C19 | C05 | C06 | H6 | 10.4° | 0.0° |
| C05 | C19 | C20 | H17 | 0.1° | 0.1° |
| C01 | N02 | C24 | C19 | 179.3° | 179.7° |
| C01 | N02 | C24 | C23 | 0.3° | 0.3° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H4 | 0.4° | 0.0° |
| N02 | C24 | C19 | C23 | 179.6° | 180.0° |
| N02 | C24 | C19 | C20 | 179.7° | 180.0° |
| N02 | C24 | C23 | C22 | 179.6° | 179.9° |
| C24 | N02 | C01 | H1 | 0.5° | 179.7° |
| C24 | N02 | C01 | H2 | 119.5° | 60.3° |
| C24 | N02 | C01 | H3 | 120.5° | 59.8° |
| C24 | N02 | C03 | H4 | 179.9° | 179.8° |
| N02 | C24 | C23 | H20 | 0.4° | 0.1° |
| C24 | C19 | C20 | C21 | 0.2° | 0.0° |
| C19 | C24 | C23 | C22 | 0.0° | 0.1° |
| C24 | C19 | C20 | H17 | 179.8° | 179.9° |
| C19 | C24 | C23 | H20 | 180.0° | 179.9° |
| C20 | C19 | C24 | C23 | 0.1° | 0.0° |
| C19 | C20 | C21 | H17 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.3° | 0.0° |
| C19 | C20 | C21 | H18 | 179.7° | 180.0° |
| C24 | C23 | C22 | H20 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.1° | 0.1° |
| C24 | C23 | C22 | H19 | 179.9° | 180.0° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C20 | C21 | C22 | H18 | 180.0° | 180.0° |
| C20 | C21 | C22 | H19 | 179.7° | 180.0° |
| C23 | C22 | C21 | H19 | 180.0° | 179.9° |
| C23 | C22 | C21 | H18 | 179.7° | 180.0° |
| C22 | C21 | C20 | H17 | 179.7° | 179.9° |
| C21 | C22 | C23 | H20 | 179.9° | 179.9° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | C04 | H5 | 0.2° | 0.2° |
| H6 | C06 | C07 | H7 | 172.3° | 180.0° |
| H7 | C07 | C08 | H8 | 179.7° | 180.0° |
| H10 | C12 | C13 | H11 | 0.7° | 0.0° |
| H11 | C13 | C14 | H12 | 0.2° | 0.1° |
| H12 | C14 | C15 | H13 | 0.1° | 0.1° |
| H14 | C18 | H15 | H16 | 120.0° | 120.1° |
| H17 | C20 | C21 | H18 | 0.3° | 0.1° |
| H18 | C21 | C22 | H19 | 0.3° | 0.1° |
| H19 | C22 | C23 | H20 | 0.1° | 0.0° |
