JUV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C08 | sing | 1.36Å | 1.40Å | |
| C07 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.47Å | 1.49Å | |
| C04 | C03 | doub | 1.35Å | 1.35Å | |
| C14 | C15 | sing | 1.51Å | 1.46Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C03 | C02 | sing | 1.42Å | 1.51Å | |
| O23 | C22 | doub | 1.21Å | 1.27Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| O12 | C13 | sing | 1.43Å | 1.34Å | |
| O12 | C02 | sing | 1.35Å | 1.38Å | |
| C15 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C22 | sing | 1.51Å | 1.57Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | O24 | sing | 1.34Å | 1.22Å | |
| C02 | O01 | doub | 1.22Å | 1.27Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | O19 | sing | 1.36Å | 1.37Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| O09 | H10 | sing | 0.97Å | 0.95Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| O19 | H15 | sing | 0.97Å | 0.95Å | |
| O24 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C08 | C07 | 120.3° | 119.9° |
| O09 | C08 | C10 | 119.9° | 119.9° |
| C08 | O09 | H10 | 109.5° | 114.0° |
| C08 | C07 | C06 | 119.8° | 120.1° |
| C07 | C08 | C10 | 119.8° | 120.2° |
| C08 | C07 | H9 | 120.1° | 119.9° |
| C07 | C06 | C05 | 119.7° | 119.9° |
| C07 | C06 | H8 | 120.1° | 120.0° |
| C06 | C07 | H9 | 120.1° | 119.9° |
| C08 | C10 | C11 | 120.1° | 120.1° |
| C08 | C10 | H1 | 120.0° | 119.9° |
| C06 | C05 | C11 | 120.4° | 119.7° |
| C06 | C05 | C04 | 120.2° | 120.2° |
| C05 | C06 | H8 | 120.1° | 120.1° |
| C10 | C11 | C05 | 120.2° | 119.9° |
| C11 | C10 | H1 | 119.9° | 119.9° |
| C10 | C11 | H11 | 119.9° | 120.1° |
| C11 | C05 | C04 | 119.4° | 120.1° |
| C05 | C11 | H11 | 119.9° | 120.0° |
| C05 | C04 | C03 | 117.3° | 120.0° |
| C05 | C04 | H7 | 121.4° | 120.1° |
| C04 | C03 | C02 | 121.4° | 120.0° |
| C04 | C03 | H6 | 119.3° | 120.0° |
| C03 | C04 | H7 | 121.4° | 119.9° |
| C15 | C14 | C13 | 118.5° | 109.5° |
| C14 | C15 | C16 | 119.7° | 120.0° |
| C14 | C15 | C21 | 120.2° | 120.0° |
| C15 | C14 | H12 | 107.1° | 109.5° |
| C15 | C14 | H13 | 107.1° | 109.5° |
| C14 | C13 | O12 | 111.6° | 109.4° |
| C14 | C13 | C22 | 108.0° | 109.5° |
| C14 | C13 | H2 | 107.5° | 109.5° |
| C13 | C14 | H12 | 107.2° | 109.4° |
| C13 | C14 | H13 | 107.2° | 109.5° |
| C03 | C02 | O12 | 119.0° | 120.0° |
| C03 | C02 | O01 | 118.2° | 120.0° |
| C02 | C03 | H6 | 119.3° | 120.0° |
| O23 | C22 | C13 | 120.4° | 120.0° |
| O23 | C22 | O24 | 119.7° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.1° |
| C16 | C15 | C21 | 120.1° | 120.1° |
| C15 | C16 | H14 | 120.0° | 119.9° |
| C16 | C17 | C18 | 119.7° | 119.9° |
| C16 | C17 | H3 | 120.2° | 120.1° |
| C17 | C16 | H14 | 120.0° | 119.9° |
| C13 | O12 | C02 | 120.1° | 117.0° |
| O12 | C13 | C22 | 112.2° | 109.5° |
| O12 | C13 | H2 | 110.2° | 109.5° |
| O12 | C02 | O01 | 120.0° | 120.0° |
| C15 | C21 | C20 | 120.2° | 120.0° |
| C15 | C21 | H5 | 119.9° | 120.0° |
| C13 | C22 | O24 | 119.9° | 120.0° |
| C22 | C13 | H2 | 107.1° | 109.5° |
| C17 | C18 | C20 | 119.9° | 119.9° |
| C17 | C18 | O19 | 120.7° | 120.0° |
| C18 | C17 | H3 | 120.1° | 120.0° |
| C22 | O24 | H16 | 109.5° | 117.0° |
| C21 | C20 | C18 | 120.1° | 120.0° |
| C21 | C20 | H4 | 119.9° | 119.9° |
| C20 | C21 | H5 | 119.9° | 120.0° |
| C20 | C18 | O19 | 119.4° | 120.1° |
| C18 | C20 | H4 | 119.9° | 120.1° |
| C18 | O19 | H15 | 109.5° | 114.0° |
| H12 | C14 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C08 | C07 | C10 | 179.9° | 179.9° |
| O09 | C08 | C07 | C06 | 179.8° | 179.4° |
| O09 | C08 | C10 | C11 | 179.9° | 180.0° |
| O09 | C08 | C10 | H1 | 0.1° | 0.3° |
| O09 | C08 | C07 | H9 | 0.2° | 0.0° |
| C08 | C07 | C06 | H9 | 180.0° | 179.5° |
| C08 | C07 | C06 | C05 | 0.5° | 0.8° |
| C07 | C08 | C10 | C11 | 0.2° | 0.0° |
| C07 | C08 | C10 | H1 | 179.8° | 179.7° |
| C08 | C07 | C06 | H8 | 179.5° | 179.7° |
| C07 | C08 | O09 | H10 | 180.0° | 89.9° |
| C06 | C07 | C08 | C10 | 0.4° | 0.5° |
| C07 | C06 | C05 | H8 | 180.0° | 179.4° |
| C07 | C06 | C05 | C11 | 0.6° | 0.6° |
| C07 | C06 | C05 | C04 | 179.9° | 179.5° |
| C08 | C10 | C11 | H1 | 180.0° | 179.7° |
| C08 | C10 | C11 | C05 | 0.3° | 0.3° |
| C10 | C08 | C07 | H9 | 179.7° | 180.0° |
| C10 | C08 | O09 | H10 | 0.2° | 90.0° |
| C08 | C10 | C11 | H11 | 179.7° | 179.7° |
| C06 | C05 | C11 | C10 | 0.4° | 0.0° |
| C06 | C05 | C11 | C04 | 179.4° | 180.0° |
| C06 | C05 | C04 | C03 | 119.2° | 0.0° |
| C06 | C05 | C04 | H7 | 60.9° | 179.9° |
| C05 | C06 | C07 | H9 | 179.5° | 179.7° |
| C06 | C05 | C11 | H11 | 179.5° | 180.0° |
| C10 | C11 | C05 | H11 | 180.0° | 180.0° |
| C10 | C11 | C05 | C04 | 179.8° | 180.0° |
| C11 | C05 | C04 | C03 | 60.2° | 180.0° |
| C05 | C11 | C10 | H1 | 179.7° | 180.0° |
| C11 | C05 | C04 | H7 | 119.8° | 0.0° |
| C11 | C05 | C06 | H8 | 179.5° | 180.0° |
| C05 | C04 | C03 | H7 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 171.2° | 180.0° |
| C05 | C04 | C03 | H6 | 8.8° | 0.0° |
| C04 | C05 | C06 | H8 | 0.1° | 0.0° |
| C04 | C05 | C11 | H11 | 0.2° | 0.1° |
| C04 | C03 | C02 | H6 | 180.0° | 180.0° |
| C04 | C03 | C02 | O12 | 13.6° | 180.0° |
| C04 | C03 | C02 | O01 | 174.8° | 0.0° |
| C15 | C14 | C13 | H12 | 121.3° | 120.0° |
| C15 | C14 | C13 | H13 | 121.3° | 120.1° |
| C14 | C15 | C16 | C21 | 179.9° | 179.7° |
| C14 | C15 | C16 | C17 | 180.0° | 179.7° |
| C15 | C14 | C13 | O12 | 142.8° | 65.0° |
| C15 | C14 | C13 | C22 | 93.5° | 175.0° |
| C14 | C15 | C21 | C20 | 180.0° | 180.0° |
| C15 | C14 | C13 | H2 | 21.8° | 55.0° |
| C14 | C15 | C21 | H5 | 0.0° | 0.0° |
| C15 | C14 | H12 | H13 | 115.9° | 120.0° |
| C14 | C15 | C16 | H14 | 0.0° | 0.3° |
| C14 | C13 | C22 | O23 | 96.9° | 115.0° |
| C13 | C14 | C15 | C16 | 119.2° | 89.8° |
| C14 | C13 | O12 | C22 | 121.3° | 120.0° |
| C14 | C13 | O12 | H2 | 119.4° | 120.0° |
| C14 | C13 | O12 | C02 | 175.9° | 150.0° |
| C13 | C14 | C15 | C21 | 60.9° | 90.0° |
| C14 | C13 | C22 | H2 | 115.5° | 120.0° |
| C14 | C13 | C22 | O24 | 83.1° | 65.1° |
| C13 | C14 | H12 | H13 | 116.0° | 120.0° |
| C03 | C02 | O12 | C13 | 138.6° | 180.0° |
| C03 | C02 | O12 | O01 | 160.8° | 180.0° |
| C02 | C03 | C04 | H7 | 8.7° | 0.0° |
| O23 | C22 | C13 | O12 | 26.4° | 5.0° |
| O23 | C22 | C13 | O24 | 179.9° | 180.0° |
| O23 | C22 | C13 | H2 | 147.5° | 125.0° |
| O23 | C22 | O24 | H16 | 0.0° | 0.1° |
| C15 | C16 | C17 | H14 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | C15 | C21 | C20 | 0.1° | 0.3° |
| C15 | C16 | C17 | H3 | 179.9° | 179.8° |
| C16 | C15 | C21 | H5 | 179.9° | 179.7° |
| C16 | C15 | C14 | H12 | 2.1° | 150.3° |
| C16 | C15 | C14 | H13 | 119.6° | 30.3° |
| C17 | C16 | C15 | C21 | 0.1° | 0.0° |
| C16 | C17 | C18 | H3 | 180.0° | 179.8° |
| C16 | C17 | C18 | C20 | 0.1° | 0.2° |
| C16 | C17 | C18 | O19 | 179.8° | 179.8° |
| O12 | C13 | C22 | H2 | 121.1° | 120.0° |
| O12 | C13 | C22 | O24 | 153.5° | 175.0° |
| C13 | O12 | C02 | O01 | 22.2° | 0.1° |
| O12 | C13 | C14 | H12 | 21.5° | 175.0° |
| O12 | C13 | C14 | H13 | 96.0° | 55.1° |
| C02 | O12 | C13 | C22 | 54.6° | 90.0° |
| C02 | O12 | C13 | H2 | 64.7° | 30.1° |
| O12 | C02 | C03 | H6 | 166.3° | 0.0° |
| C15 | C21 | C20 | H5 | 180.0° | 179.9° |
| C15 | C21 | C20 | C18 | 0.1° | 0.5° |
| C15 | C21 | C20 | H4 | 179.9° | 180.0° |
| C21 | C15 | C14 | H12 | 177.8° | 30.0° |
| C21 | C15 | C14 | H13 | 60.3° | 150.0° |
| C21 | C15 | C16 | H14 | 179.9° | 180.0° |
| C22 | C13 | C14 | H12 | 145.2° | 55.0° |
| C22 | C13 | C14 | H13 | 27.7° | 64.9° |
| C13 | C22 | O24 | H16 | 180.0° | 180.0° |
| C17 | C18 | C20 | C21 | 0.1° | 0.5° |
| C17 | C18 | C20 | O19 | 179.7° | 180.0° |
| C17 | C18 | C20 | H4 | 179.9° | 180.0° |
| C18 | C17 | C16 | H14 | 179.9° | 180.0° |
| C17 | C18 | O19 | H15 | 180.0° | 90.0° |
| O24 | C22 | C13 | H2 | 32.4° | 55.0° |
| O01 | C02 | C03 | H6 | 5.2° | 180.0° |
| C21 | C20 | C18 | H4 | 180.0° | 179.5° |
| C21 | C20 | C18 | O19 | 179.9° | 179.5° |
| C20 | C18 | C17 | H3 | 179.8° | 179.9° |
| C18 | C20 | C21 | H5 | 179.9° | 179.4° |
| C20 | C18 | O19 | H15 | 0.3° | 90.0° |
| O19 | C18 | C17 | H3 | 0.1° | 0.0° |
| O19 | C18 | C20 | H4 | 0.2° | 0.1° |
| H1 | C10 | C11 | H11 | 0.3° | 0.0° |
| H2 | C13 | C14 | H12 | 99.5° | 65.0° |
| H2 | C13 | C14 | H13 | 143.0° | 175.1° |
| H3 | C17 | C16 | H14 | 0.1° | 0.2° |
| H4 | C20 | C21 | H5 | 0.1° | 0.0° |
| H6 | C03 | C04 | H7 | 171.3° | 180.0° |
| H8 | C06 | C07 | H9 | 0.5° | 0.3° |
