UJQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| O11 | C06 | sing | 1.35Å | 1.44Å | |
| O11 | C12 | sing | 1.35Å | 1.44Å | |
| C06 | C05 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.37Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.50Å | 1.53Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C04 | sing | 1.50Å | 1.52Å | |
| C04 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | O03 | doub | 1.21Å | 1.26Å | |
| C02 | O01 | sing | 1.34Å | 1.26Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| O01 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C07 | C06 | 121.7° | 120.1° |
| C07 | C08 | C09 | 118.4° | 120.0° |
| C08 | C07 | H5 | 119.2° | 119.9° |
| C07 | C08 | H6 | 120.8° | 120.0° |
| C07 | C06 | O11 | 119.8° | 119.2° |
| C07 | C06 | C05 | 119.1° | 119.8° |
| C06 | C07 | H5 | 119.2° | 120.0° |
| C08 | C09 | C10 | 120.2° | 120.0° |
| C09 | C08 | H6 | 120.8° | 120.1° |
| C08 | C09 | H7 | 119.9° | 120.0° |
| C16 | C17 | C12 | 120.0° | 120.2° |
| C17 | C16 | C15 | 121.9° | 120.0° |
| C16 | C17 | H3 | 120.0° | 119.9° |
| C17 | C16 | H9 | 119.0° | 120.0° |
| C17 | C12 | O11 | 119.0° | 119.3° |
| C17 | C12 | C13 | 118.8° | 119.7° |
| C12 | C17 | H3 | 120.0° | 119.9° |
| C06 | O11 | C12 | 116.2° | 120.0° |
| O11 | C06 | C05 | 121.1° | 121.0° |
| O11 | C12 | C13 | 122.2° | 121.0° |
| C06 | C05 | C10 | 120.0° | 119.9° |
| C06 | C05 | C04 | 120.5° | 120.7° |
| C16 | C15 | C14 | 117.4° | 120.1° |
| C16 | C15 | H2 | 121.3° | 120.0° |
| C15 | C16 | H9 | 119.0° | 120.0° |
| C12 | C13 | C14 | 121.0° | 119.9° |
| C12 | C13 | C04 | 119.7° | 120.8° |
| C09 | C10 | C05 | 120.7° | 120.2° |
| C09 | C10 | H1 | 119.7° | 119.9° |
| C10 | C09 | H7 | 119.9° | 120.0° |
| C10 | C05 | C04 | 119.5° | 119.4° |
| C05 | C10 | H1 | 119.6° | 119.9° |
| C05 | C04 | C13 | 112.2° | 110.5° |
| C05 | C04 | C02 | 110.3° | 109.3° |
| C05 | C04 | H4 | 109.1° | 109.2° |
| C15 | C14 | C13 | 120.9° | 120.2° |
| C14 | C15 | H2 | 121.3° | 119.9° |
| C15 | C14 | H8 | 119.6° | 119.9° |
| C14 | C13 | C04 | 119.3° | 119.4° |
| C13 | C14 | H8 | 119.5° | 119.9° |
| C13 | C04 | C02 | 106.6° | 109.3° |
| C13 | C04 | H4 | 109.2° | 109.3° |
| C04 | C02 | O03 | 118.3° | 120.0° |
| C04 | C02 | O01 | 119.8° | 120.0° |
| C02 | C04 | H4 | 109.3° | 109.3° |
| O03 | C02 | O01 | 121.8° | 120.0° |
| C02 | O01 | H10 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C07 | C06 | H5 | 180.0° | 179.7° |
| C07 | C08 | C09 | H6 | 180.0° | 179.7° |
| C08 | C07 | C06 | O11 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 0.0° | 0.0° |
| C07 | C08 | C09 | C10 | 0.1° | 0.5° |
| C07 | C08 | C09 | H7 | 179.9° | 180.0° |
| C06 | C07 | C08 | C09 | 0.0° | 0.2° |
| C07 | C06 | O11 | C05 | 180.0° | 180.0° |
| C07 | C06 | O11 | C12 | 156.8° | 159.3° |
| C07 | C06 | C05 | C10 | 0.2° | 0.0° |
| C07 | C06 | C05 | C04 | 179.7° | 179.9° |
| C06 | C07 | C08 | H6 | 180.0° | 180.0° |
| C08 | C09 | C10 | H7 | 180.0° | 179.5° |
| C08 | C09 | C10 | C05 | 0.2° | 0.5° |
| C08 | C09 | C10 | H1 | 179.8° | 179.8° |
| C09 | C08 | C07 | H5 | 179.9° | 179.9° |
| C16 | C17 | C12 | H3 | 180.0° | 179.9° |
| C16 | C17 | C12 | O11 | 179.1° | 179.9° |
| C17 | C16 | C15 | H9 | 180.0° | 179.9° |
| C16 | C17 | C12 | C13 | 1.1° | 0.1° |
| C17 | C16 | C15 | C14 | 0.2° | 0.1° |
| C17 | C16 | C15 | H2 | 179.8° | 180.0° |
| C17 | C12 | O11 | C06 | 156.4° | 159.4° |
| C17 | C12 | O11 | C13 | 179.8° | 180.0° |
| C12 | C17 | C16 | C15 | 0.9° | 0.1° |
| C17 | C12 | C13 | C14 | 0.8° | 0.1° |
| C17 | C12 | C13 | C04 | 179.5° | 180.0° |
| C12 | C17 | C16 | H9 | 179.1° | 180.0° |
| C06 | O11 | C12 | C13 | 23.4° | 20.6° |
| O11 | C06 | C05 | C10 | 179.8° | 180.0° |
| O11 | C06 | C05 | C04 | 0.4° | 0.1° |
| O11 | C06 | C07 | H5 | 0.0° | 0.3° |
| C12 | O11 | C06 | C05 | 23.3° | 20.7° |
| O11 | C12 | C13 | C14 | 179.4° | 179.9° |
| O11 | C12 | C13 | C04 | 0.3° | 0.1° |
| O11 | C12 | C17 | H3 | 0.9° | 0.0° |
| C06 | C05 | C10 | C09 | 0.3° | 0.2° |
| C06 | C05 | C10 | C04 | 179.8° | 179.9° |
| C06 | C05 | C04 | C13 | 21.4° | 17.9° |
| C06 | C05 | C04 | C02 | 97.3° | 102.4° |
| C06 | C05 | C10 | H1 | 179.7° | 180.0° |
| C06 | C05 | C04 | H4 | 142.6° | 138.2° |
| C05 | C06 | C07 | H5 | 180.0° | 179.7° |
| C16 | C15 | C14 | H2 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.1° |
| C15 | C16 | C17 | H3 | 179.2° | 180.0° |
| C16 | C15 | C14 | H8 | 179.9° | 180.0° |
| C12 | C13 | C04 | C05 | 21.3° | 18.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C12 | C13 | C14 | C04 | 179.7° | 179.9° |
| C12 | C13 | C04 | C02 | 99.5° | 102.3° |
| C13 | C12 | C17 | H3 | 178.9° | 180.0° |
| C12 | C13 | C04 | H4 | 142.5° | 138.2° |
| C12 | C13 | C14 | H8 | 179.8° | 179.9° |
| C09 | C10 | C05 | H1 | 180.0° | 179.8° |
| C09 | C10 | C05 | C04 | 179.5° | 179.7° |
| C10 | C09 | C08 | H6 | 179.9° | 179.8° |
| C10 | C05 | C04 | C13 | 158.4° | 162.0° |
| C10 | C05 | C04 | C02 | 82.9° | 77.7° |
| C10 | C05 | C04 | H4 | 37.2° | 41.7° |
| C05 | C10 | C09 | H7 | 179.7° | 180.0° |
| C05 | C04 | C13 | C14 | 159.0° | 161.9° |
| C05 | C04 | C13 | C02 | 120.8° | 120.3° |
| C05 | C04 | C13 | H4 | 121.2° | 120.2° |
| C05 | C04 | C02 | H4 | 120.0° | 119.4° |
| C05 | C04 | C02 | O03 | 101.1° | 121.0° |
| C05 | C04 | C02 | O01 | 82.3° | 58.9° |
| C04 | C05 | C10 | H1 | 0.5° | 0.1° |
| C15 | C14 | C13 | H8 | 180.0° | 180.0° |
| C15 | C14 | C13 | C04 | 179.9° | 180.0° |
| C14 | C15 | C16 | H9 | 179.7° | 180.0° |
| C14 | C13 | C04 | C02 | 80.2° | 77.8° |
| C13 | C14 | C15 | H2 | 179.9° | 180.0° |
| C14 | C13 | C04 | H4 | 37.8° | 41.7° |
| C13 | C04 | C02 | H4 | 118.0° | 119.5° |
| C13 | C04 | C02 | O03 | 20.9° | 0.0° |
| C13 | C04 | C02 | O01 | 155.6° | 180.0° |
| C04 | C13 | C14 | H8 | 0.1° | 0.0° |
| C04 | C02 | O03 | O01 | 176.5° | 180.0° |
| C04 | C02 | O01 | H10 | 176.4° | 180.0° |
| O03 | C02 | C04 | H4 | 138.9° | 119.5° |
| O03 | C02 | O01 | H10 | 0.0° | 0.0° |
| O01 | C02 | C04 | H4 | 37.6° | 60.5° |
| H1 | C10 | C09 | H7 | 0.2° | 0.3° |
| H2 | C15 | C14 | H8 | 0.1° | 0.0° |
| H2 | C15 | C16 | H9 | 0.2° | 0.1° |
| H3 | C17 | C16 | H9 | 0.8° | 0.1° |
| H5 | C07 | C08 | H6 | 0.1° | 0.4° |
| H6 | C08 | C09 | H7 | 0.1° | 0.3° |
