J8O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C09 | sing | 1.53Å | 1.51Å | |
| C08 | N07 | sing | 1.47Å | 1.52Å | |
| C09 | O10 | sing | 1.43Å | 1.39Å | |
| C01 | N06 | doub | 1.32Å | 1.35Å | Aromatic |
| C01 | C02 | sing | 1.40Å | 1.40Å | Aromatic |
| N07 | C02 | sing | 1.39Å | 1.42Å | |
| N07 | C11 | sing | 1.47Å | 1.46Å | |
| N06 | C05 | sing | 1.34Å | 1.36Å | Aromatic |
| C02 | N03 | doub | 1.33Å | 1.35Å | Aromatic |
| C05 | C12 | sing | 1.47Å | 1.58Å | |
| C05 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
| N03 | C04 | sing | 1.32Å | 1.36Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.33Å | |
| C21 | C20 | doub | 1.37Å | 1.37Å | Aromatic |
| C21 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.50Å | |
| C13 | C15 | sing | 1.43Å | 1.50Å | |
| C14 | C17 | doub | 1.40Å | 1.35Å | Aromatic |
| C19 | C22 | sing | 1.43Å | 1.51Å | |
| C19 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | N16 | trip | 1.14Å | 1.11Å | |
| C22 | N23 | trip | 1.14Å | 1.11Å | |
| C17 | C18 | sing | 1.37Å | 1.40Å | Aromatic |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| O10 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | N07 | 108.0° | 109.5° |
| C08 | C09 | O10 | 107.5° | 109.5° |
| C09 | C08 | H6 | 109.8° | 109.5° |
| C09 | C08 | H7 | 109.8° | 109.5° |
| C08 | C09 | H8 | 110.0° | 109.5° |
| C08 | C09 | H9 | 109.9° | 109.5° |
| C08 | N07 | C02 | 118.4° | 120.0° |
| C08 | N07 | C11 | 120.6° | 120.0° |
| N07 | C08 | H6 | 109.9° | 109.5° |
| N07 | C08 | H7 | 109.9° | 109.4° |
| O10 | C09 | H8 | 110.0° | 109.4° |
| O10 | C09 | H9 | 109.9° | 109.4° |
| C09 | O10 | H15 | 109.5° | 114.0° |
| N06 | C01 | C02 | 119.3° | 120.1° |
| C01 | N06 | C05 | 120.5° | 119.9° |
| N06 | C01 | H4 | 120.3° | 119.9° |
| C01 | C02 | N07 | 118.8° | 119.9° |
| C01 | C02 | N03 | 121.3° | 120.1° |
| C02 | C01 | H4 | 120.4° | 120.0° |
| C02 | N07 | C11 | 121.0° | 120.0° |
| N07 | C02 | N03 | 119.9° | 120.0° |
| N07 | C11 | H10 | 109.5° | 109.5° |
| N07 | C11 | H11 | 109.5° | 109.4° |
| N07 | C11 | H12 | 109.5° | 109.4° |
| N06 | C05 | C12 | 118.5° | 120.1° |
| N06 | C05 | C04 | 119.1° | 119.9° |
| C02 | N03 | C04 | 118.8° | 120.0° |
| C12 | C05 | C04 | 122.3° | 120.1° |
| C05 | C12 | C13 | 126.7° | 120.0° |
| C05 | C12 | H13 | 116.6° | 120.0° |
| C05 | C04 | N03 | 120.9° | 119.9° |
| C05 | C04 | H5 | 119.6° | 120.0° |
| N03 | C04 | H5 | 119.5° | 120.0° |
| C12 | C13 | C14 | 118.6° | 120.0° |
| C12 | C13 | C15 | 125.9° | 120.0° |
| C13 | C12 | H13 | 116.7° | 120.0° |
| C20 | C21 | C14 | 118.4° | 120.0° |
| C21 | C20 | C19 | 120.1° | 119.9° |
| C21 | C20 | H2 | 120.0° | 120.1° |
| C20 | C21 | H3 | 120.8° | 120.0° |
| C21 | C14 | C13 | 119.6° | 120.0° |
| C21 | C14 | C17 | 122.0° | 120.0° |
| C14 | C21 | H3 | 120.8° | 120.0° |
| C20 | C19 | C22 | 119.3° | 120.0° |
| C20 | C19 | C18 | 121.2° | 120.0° |
| C19 | C20 | H2 | 119.9° | 120.0° |
| C14 | C13 | C15 | 115.4° | 120.0° |
| C13 | C14 | C17 | 118.3° | 120.0° |
| C13 | C15 | N16 | 179.4° | 180.0° |
| C14 | C17 | C18 | 119.4° | 120.0° |
| C14 | C17 | H1 | 120.3° | 119.9° |
| C22 | C19 | C18 | 119.4° | 120.0° |
| C19 | C22 | N23 | 179.8° | 180.0° |
| C19 | C18 | C17 | 118.8° | 120.0° |
| C19 | C18 | H14 | 120.6° | 120.0° |
| C18 | C17 | H1 | 120.3° | 120.0° |
| C17 | C18 | H14 | 120.6° | 120.1° |
| H6 | C08 | H7 | 109.4° | 109.4° |
| H8 | C09 | H9 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.4° | 109.5° |
| H10 | C11 | H12 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | N07 | H6 | 119.8° | 120.0° |
| C09 | C08 | N07 | H7 | 119.8° | 120.1° |
| C08 | C09 | O10 | H8 | 119.7° | 120.0° |
| C08 | C09 | O10 | H9 | 119.7° | 120.0° |
| C09 | C08 | N07 | C02 | 98.5° | 89.9° |
| C09 | C08 | N07 | C11 | 80.9° | 90.0° |
| C09 | C08 | H6 | H7 | 120.6° | 120.0° |
| C08 | C09 | H8 | H9 | 120.9° | 120.1° |
| C08 | C09 | O10 | H15 | 180.0° | 180.0° |
| N07 | C08 | C09 | O10 | 9.5° | 65.0° |
| C08 | N07 | C02 | C01 | 5.5° | 5.1° |
| C08 | N07 | C02 | C11 | 179.4° | 179.9° |
| C08 | N07 | C02 | N03 | 175.3° | 175.0° |
| N07 | C08 | H6 | H7 | 120.7° | 119.9° |
| N07 | C08 | C09 | H8 | 129.2° | 175.0° |
| N07 | C08 | C09 | H9 | 110.2° | 54.9° |
| C08 | N07 | C11 | H10 | 180.0° | 90.0° |
| C08 | N07 | C11 | H11 | 60.0° | 150.0° |
| C08 | N07 | C11 | H12 | 60.0° | 30.1° |
| O10 | C09 | C08 | H6 | 129.3° | 175.0° |
| O10 | C09 | C08 | H7 | 110.3° | 55.0° |
| O10 | C09 | H8 | H9 | 120.9° | 119.9° |
| N06 | C01 | C02 | H4 | 180.0° | 179.8° |
| N06 | C01 | C02 | N07 | 179.2° | 179.9° |
| N06 | C01 | C02 | N03 | 0.0° | 0.0° |
| C01 | N06 | C05 | C12 | 179.5° | 179.9° |
| C01 | N06 | C05 | C04 | 1.7° | 0.1° |
| C01 | C02 | N07 | N03 | 179.3° | 179.9° |
| C01 | C02 | N07 | C11 | 173.9° | 175.0° |
| C02 | C01 | N06 | C05 | 1.2° | 0.1° |
| C01 | C02 | N03 | C04 | 0.6° | 0.0° |
| N07 | C02 | N03 | C04 | 179.9° | 180.0° |
| N07 | C02 | C01 | H4 | 0.8° | 0.3° |
| C02 | N07 | C08 | H6 | 141.7° | 30.1° |
| C02 | N07 | C08 | H7 | 21.3° | 150.0° |
| C02 | N07 | C11 | H10 | 0.6° | 89.9° |
| C02 | N07 | C11 | H11 | 119.4° | 30.1° |
| C02 | N07 | C11 | H12 | 120.7° | 150.0° |
| C11 | N07 | C02 | N03 | 5.4° | 4.9° |
| C11 | N07 | C08 | H6 | 38.9° | 150.0° |
| C11 | N07 | C08 | H7 | 159.4° | 30.1° |
| N07 | C11 | H10 | H11 | 120.0° | 120.0° |
| N07 | C11 | H10 | H12 | 120.0° | 120.0° |
| N07 | C11 | H11 | H12 | 120.0° | 119.9° |
| N06 | C05 | C12 | C04 | 177.7° | 180.0° |
| N06 | C05 | C04 | N03 | 1.1° | 0.0° |
| N06 | C05 | C12 | C13 | 179.3° | 0.0° |
| C05 | N06 | C01 | H4 | 178.8° | 179.7° |
| N06 | C05 | C04 | H5 | 178.9° | 180.0° |
| N06 | C05 | C12 | H13 | 0.7° | 180.0° |
| C02 | N03 | C04 | C05 | 0.1° | 0.0° |
| N03 | C02 | C01 | H4 | 180.0° | 179.8° |
| C02 | N03 | C04 | H5 | 179.9° | 180.0° |
| C12 | C05 | C04 | N03 | 178.8° | 180.0° |
| C05 | C12 | C13 | H13 | 180.0° | 180.0° |
| C05 | C12 | C13 | C14 | 178.0° | 180.0° |
| C05 | C12 | C13 | C15 | 1.6° | 0.2° |
| C12 | C05 | C04 | H5 | 1.2° | 0.1° |
| C05 | C04 | N03 | H5 | 180.0° | 180.0° |
| C04 | C05 | C12 | C13 | 3.0° | 180.0° |
| C04 | C05 | C12 | H13 | 177.0° | 0.0° |
| C12 | C13 | C14 | C21 | 4.5° | 114.8° |
| C12 | C13 | C14 | C15 | 176.8° | 179.8° |
| C12 | C13 | C14 | C17 | 178.9° | 65.3° |
| C12 | C13 | C15 | N16 | 124.0° | 58.6° |
| C20 | C21 | C14 | H3 | 180.0° | 179.1° |
| C21 | C20 | C19 | H2 | 180.0° | 180.0° |
| C20 | C21 | C14 | C13 | 178.2° | 179.5° |
| C20 | C21 | C14 | C17 | 1.7° | 0.6° |
| C21 | C20 | C19 | C22 | 179.9° | 180.0° |
| C21 | C20 | C19 | C18 | 0.3° | 0.6° |
| C14 | C21 | C20 | C19 | 0.5° | 0.9° |
| C21 | C14 | C13 | C17 | 176.6° | 180.0° |
| C21 | C14 | C13 | C15 | 172.3° | 65.0° |
| C21 | C14 | C17 | C18 | 2.1° | 0.0° |
| C21 | C14 | C17 | H1 | 177.9° | 179.7° |
| C14 | C21 | C20 | H2 | 179.5° | 179.1° |
| C20 | C19 | C22 | C18 | 179.6° | 179.4° |
| C20 | C19 | C22 | N23 | 146.9° | 0.8° |
| C20 | C19 | C18 | C17 | 0.1° | 0.0° |
| C19 | C20 | C21 | H3 | 179.5° | 180.0° |
| C20 | C19 | C18 | H14 | 179.9° | 180.0° |
| C14 | C13 | C15 | N16 | 52.6° | 121.2° |
| C13 | C14 | C17 | C18 | 178.6° | 180.0° |
| C13 | C14 | C17 | H1 | 1.4° | 0.3° |
| C13 | C14 | C21 | H3 | 1.8° | 0.4° |
| C14 | C13 | C12 | H13 | 2.0° | 0.0° |
| C15 | C13 | C14 | C17 | 4.3° | 115.0° |
| C15 | C13 | C12 | H13 | 178.4° | 179.8° |
| C14 | C17 | C18 | C19 | 1.2° | 0.3° |
| C14 | C17 | C18 | H1 | 180.0° | 179.7° |
| C17 | C14 | C21 | H3 | 178.3° | 179.7° |
| C14 | C17 | C18 | H14 | 178.8° | 179.7° |
| C22 | C19 | C18 | C17 | 179.6° | 179.4° |
| C22 | C19 | C20 | H2 | 0.1° | 0.0° |
| C22 | C19 | C18 | H14 | 0.4° | 0.6° |
| C18 | C19 | C22 | N23 | 33.5° | 179.8° |
| C19 | C18 | C17 | H14 | 180.0° | 180.0° |
| C19 | C18 | C17 | H1 | 178.8° | 180.0° |
| C18 | C19 | C20 | H2 | 179.7° | 179.4° |
| H1 | C17 | C18 | H14 | 1.2° | 0.1° |
| H2 | C20 | C21 | H3 | 0.5° | 0.0° |
| H6 | C08 | C09 | H8 | 111.0° | 55.0° |
| H6 | C08 | C09 | H9 | 9.6° | 65.1° |
| H7 | C08 | C09 | H8 | 9.4° | 65.0° |
| H7 | C08 | C09 | H9 | 130.0° | 174.9° |
| H8 | C09 | O10 | H15 | 60.3° | 60.0° |
| H9 | C09 | O10 | H15 | 60.3° | 60.0° |
| H10 | C11 | H11 | H12 | 120.0° | 120.0° |
