5OR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | sing | 1.36Å | 1.34Å | |
| C10 | C11 | sing | 1.41Å | 1.37Å | Aromatic |
| C10 | C09 | doub | 1.36Å | 1.38Å | Aromatic |
| C11 | C13 | doub | 1.35Å | 1.37Å | Aromatic |
| C09 | C08 | sing | 1.41Å | 1.40Å | Aromatic |
| C13 | N14 | sing | 1.37Å | 1.36Å | Aromatic |
| C08 | N14 | sing | 1.37Å | 1.26Å | Aromatic |
| C08 | N07 | doub | 1.33Å | 1.35Å | Aromatic |
| N14 | C15 | sing | 1.37Å | 1.32Å | Aromatic |
| N07 | C06 | sing | 1.34Å | 1.32Å | Aromatic |
| C15 | C06 | doub | 1.36Å | 1.35Å | Aromatic |
| C15 | I16 | sing | 2.10Å | 2.05Å | |
| C06 | C05 | sing | 1.48Å | 1.38Å | |
| C05 | C17 | doub | 1.39Å | 1.35Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.36Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.36Å | Aromatic |
| C18 | C02 | doub | 1.39Å | 1.37Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.34Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| O12 | H6 | sing | 0.97Å | 0.95Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | C10 | 119.4° | 119.9° |
| O12 | C11 | C13 | 120.7° | 119.9° |
| C11 | O12 | H6 | 109.5° | 114.0° |
| C11 | C10 | C09 | 117.5° | 119.6° |
| C10 | C11 | C13 | 119.8° | 120.2° |
| C11 | C10 | H5 | 121.3° | 120.2° |
| C10 | C09 | C08 | 120.9° | 119.5° |
| C10 | C09 | H4 | 119.6° | 120.2° |
| C09 | C10 | H5 | 121.3° | 120.2° |
| C11 | C13 | N14 | 119.7° | 120.5° |
| C11 | C13 | H7 | 120.2° | 119.7° |
| C09 | C08 | N14 | 119.1° | 119.7° |
| C09 | C08 | N07 | 132.5° | 132.0° |
| C08 | C09 | H4 | 119.6° | 120.3° |
| C13 | N14 | C08 | 123.0° | 120.4° |
| C13 | N14 | C15 | 129.9° | 132.3° |
| N14 | C13 | H7 | 120.2° | 119.7° |
| N14 | C08 | N07 | 108.3° | 108.3° |
| C08 | N14 | C15 | 107.2° | 107.2° |
| C08 | N07 | C06 | 110.3° | 109.1° |
| N14 | C15 | C06 | 112.0° | 107.1° |
| N14 | C15 | I16 | 118.2° | 126.5° |
| N07 | C06 | C15 | 102.2° | 108.2° |
| N07 | C06 | C05 | 130.1° | 125.9° |
| C06 | C15 | I16 | 129.8° | 126.4° |
| C15 | C06 | C05 | 127.6° | 125.9° |
| C06 | C05 | C17 | 121.4° | 120.1° |
| C06 | C05 | C04 | 119.4° | 120.1° |
| C17 | C05 | C04 | 119.1° | 119.9° |
| C05 | C17 | C18 | 120.7° | 119.9° |
| C05 | C17 | H8 | 119.7° | 120.0° |
| C05 | C04 | C03 | 121.2° | 119.9° |
| C05 | C04 | H3 | 119.4° | 120.0° |
| C17 | C18 | C02 | 120.2° | 120.1° |
| C18 | C17 | H8 | 119.6° | 120.1° |
| C17 | C18 | H9 | 119.8° | 119.9° |
| C04 | C03 | C02 | 119.0° | 120.1° |
| C04 | C03 | H2 | 120.5° | 120.0° |
| C03 | C04 | H3 | 119.4° | 120.1° |
| C18 | C02 | C03 | 119.7° | 120.2° |
| C18 | C02 | O01 | 119.4° | 119.9° |
| C02 | C18 | H9 | 119.9° | 120.0° |
| C03 | C02 | O01 | 120.9° | 119.9° |
| C02 | C03 | H2 | 120.4° | 120.0° |
| C02 | O01 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C10 | C13 | 179.9° | 179.9° |
| O12 | C11 | C10 | C09 | 179.9° | 180.0° |
| O12 | C11 | C13 | N14 | 179.4° | 180.0° |
| O12 | C11 | C10 | H5 | 0.1° | 0.1° |
| O12 | C11 | C13 | H7 | 0.6° | 0.0° |
| C11 | C10 | C09 | H5 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 0.3° | 0.0° |
| C10 | C11 | C13 | N14 | 0.7° | 0.0° |
| C11 | C10 | C09 | H4 | 179.6° | 179.9° |
| C10 | C11 | O12 | H6 | 180.0° | 0.0° |
| C10 | C11 | C13 | H7 | 179.3° | 180.0° |
| C09 | C10 | C11 | C13 | 0.0° | 0.0° |
| C10 | C09 | C08 | H4 | 180.0° | 179.9° |
| C10 | C09 | C08 | N14 | 0.1° | 0.1° |
| C10 | C09 | C08 | N07 | 179.8° | 179.7° |
| C11 | C13 | N14 | H7 | 180.0° | 180.0° |
| C11 | C13 | N14 | C08 | 1.0° | 0.0° |
| C11 | C13 | N14 | C15 | 179.8° | 180.0° |
| C13 | C11 | C10 | H5 | 180.0° | 180.0° |
| C13 | C11 | O12 | H6 | 0.1° | 180.0° |
| C09 | C08 | N14 | C13 | 0.6° | 0.0° |
| C09 | C08 | N14 | N07 | 179.8° | 179.8° |
| C09 | C08 | N14 | C15 | 179.6° | 180.0° |
| C09 | C08 | N07 | C06 | 179.2° | 179.8° |
| C08 | C09 | C10 | H5 | 179.6° | 179.9° |
| C13 | N14 | C08 | C15 | 179.0° | 180.0° |
| C13 | N14 | C08 | N07 | 179.2° | 179.8° |
| C13 | N14 | C15 | C06 | 178.7° | 179.6° |
| C13 | N14 | C15 | I16 | 0.3° | 0.0° |
| N14 | C08 | N07 | C06 | 0.5° | 0.1° |
| C08 | N14 | C15 | C06 | 0.2° | 0.3° |
| C08 | N14 | C15 | I16 | 179.2° | 180.0° |
| N14 | C08 | C09 | H4 | 179.9° | 180.0° |
| C08 | N14 | C13 | H7 | 179.0° | 180.0° |
| N07 | C08 | N14 | C15 | 0.2° | 0.2° |
| C08 | N07 | C06 | C15 | 0.6° | 0.3° |
| C08 | N07 | C06 | C05 | 177.1° | 180.0° |
| N07 | C08 | C09 | H4 | 0.2° | 0.2° |
| N14 | C15 | C06 | N07 | 0.5° | 0.4° |
| N14 | C15 | C06 | I16 | 178.8° | 179.7° |
| N14 | C15 | C06 | C05 | 177.2° | 179.9° |
| C15 | N14 | C13 | H7 | 0.3° | 0.0° |
| N07 | C06 | C15 | C05 | 176.6° | 179.7° |
| N07 | C06 | C15 | I16 | 179.4° | 180.0° |
| N07 | C06 | C05 | C17 | 22.1° | 34.9° |
| N07 | C06 | C05 | C04 | 154.3° | 145.2° |
| C15 | C06 | C05 | C17 | 162.2° | 144.8° |
| C15 | C06 | C05 | C04 | 21.4° | 35.1° |
| I16 | C15 | C06 | C05 | 4.0° | 0.2° |
| C06 | C05 | C17 | C04 | 176.3° | 179.9° |
| C06 | C05 | C17 | C18 | 178.6° | 180.0° |
| C06 | C05 | C04 | C03 | 178.1° | 179.8° |
| C06 | C05 | C04 | H3 | 1.8° | 0.1° |
| C06 | C05 | C17 | H8 | 1.4° | 0.2° |
| C05 | C17 | C18 | H8 | 180.0° | 179.8° |
| C17 | C05 | C04 | C03 | 1.8° | 0.1° |
| C05 | C17 | C18 | C02 | 0.8° | 0.4° |
| C17 | C05 | C04 | H3 | 178.2° | 180.0° |
| C05 | C17 | C18 | H9 | 179.2° | 180.0° |
| C04 | C05 | C17 | C18 | 2.3° | 0.2° |
| C05 | C04 | C03 | H3 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 0.2° | 0.0° |
| C05 | C04 | C03 | H2 | 179.8° | 179.9° |
| C04 | C05 | C17 | H8 | 177.7° | 180.0° |
| C17 | C18 | C02 | H9 | 180.0° | 179.5° |
| C17 | C18 | C02 | C03 | 1.2° | 0.5° |
| C17 | C18 | C02 | O01 | 179.7° | 179.8° |
| C04 | C03 | C02 | C18 | 1.7° | 0.2° |
| C04 | C03 | C02 | H2 | 180.0° | 179.9° |
| C04 | C03 | C02 | O01 | 179.8° | 180.0° |
| C18 | C02 | C03 | O01 | 178.5° | 179.8° |
| C18 | C02 | O01 | H1 | 180.0° | 90.2° |
| C18 | C02 | C03 | H2 | 178.3° | 179.8° |
| C02 | C18 | C17 | H8 | 179.1° | 179.7° |
| C03 | C02 | O01 | H1 | 1.5° | 90.0° |
| C02 | C03 | C04 | H3 | 179.8° | 180.0° |
| C03 | C02 | C18 | H9 | 178.8° | 180.0° |
| O01 | C02 | C03 | H2 | 0.2° | 0.1° |
| O01 | C02 | C18 | H9 | 0.3° | 0.2° |
| H2 | C03 | C04 | H3 | 0.2° | 0.0° |
| H4 | C09 | C10 | H5 | 0.4° | 0.0° |
| H8 | C17 | C18 | H9 | 0.9° | 0.2° |
