N8O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.55Å | |
| C02 | C18 | sing | 1.39Å | 1.32Å | Aromatic |
| C02 | N03 | doub | 1.31Å | 1.34Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.33Å | Aromatic |
| N03 | N04 | sing | 1.40Å | 1.36Å | Aromatic |
| C17 | N04 | sing | 1.37Å | 1.34Å | Aromatic |
| C17 | N16 | sing | 1.34Å | 1.33Å | Aromatic |
| N04 | C05 | sing | 1.37Å | 1.36Å | Aromatic |
| N16 | C10 | doub | 1.32Å | 1.35Å | Aromatic |
| C08 | N06 | sing | 1.46Å | 1.47Å | |
| C05 | N06 | sing | 1.38Å | 1.36Å | |
| C05 | C09 | doub | 1.36Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | N11 | sing | 1.39Å | 1.34Å | |
| N06 | C07 | sing | 1.47Å | 1.50Å | |
| N11 | C12 | sing | 1.35Å | 1.35Å | |
| C14 | C13 | doub | 1.33Å | 1.54Å | |
| C12 | O15 | doub | 1.22Å | 1.23Å | |
| C12 | C13 | sing | 1.47Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C18 | 122.0° | 125.5° |
| C01 | C02 | N03 | 128.6° | 125.5° |
| C02 | C01 | H1 | 109.5° | 109.6° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C18 | C02 | N03 | 109.4° | 109.0° |
| C02 | C18 | C17 | 107.2° | 107.6° |
| C02 | C18 | H17 | 126.4° | 126.2° |
| C02 | N03 | N04 | 107.3° | 108.8° |
| C18 | C17 | N04 | 110.2° | 106.9° |
| C18 | C17 | N16 | 129.2° | 132.5° |
| C17 | C18 | H17 | 126.4° | 126.2° |
| N03 | N04 | C17 | 105.8° | 107.7° |
| N03 | N04 | C05 | 131.3° | 132.5° |
| N04 | C17 | N16 | 120.6° | 120.6° |
| C17 | N04 | C05 | 122.9° | 119.8° |
| C17 | N16 | C10 | 120.7° | 120.9° |
| N04 | C05 | N06 | 124.0° | 120.4° |
| N04 | C05 | C09 | 116.7° | 119.1° |
| N16 | C10 | C09 | 119.6° | 120.2° |
| N16 | C10 | N11 | 117.4° | 119.8° |
| C08 | N06 | C05 | 118.4° | 120.0° |
| C08 | N06 | C07 | 120.8° | 120.0° |
| N06 | C08 | H7 | 109.5° | 109.5° |
| N06 | C08 | H8 | 109.5° | 109.5° |
| N06 | C08 | H9 | 109.5° | 109.4° |
| N06 | C05 | C09 | 119.3° | 120.5° |
| C05 | N06 | C07 | 120.8° | 120.0° |
| C05 | C09 | C10 | 119.5° | 119.3° |
| C05 | C09 | H10 | 120.2° | 120.4° |
| C09 | C10 | N11 | 123.0° | 119.9° |
| C10 | C09 | H10 | 120.3° | 120.3° |
| C10 | N11 | C12 | 120.9° | 120.1° |
| C10 | N11 | H11 | 119.5° | 119.9° |
| N06 | C07 | H4 | 109.5° | 109.4° |
| N06 | C07 | H5 | 109.5° | 109.5° |
| N06 | C07 | H6 | 109.5° | 109.4° |
| N11 | C12 | O15 | 125.8° | 120.0° |
| N11 | C12 | C13 | 114.6° | 120.1° |
| C12 | N11 | H11 | 119.5° | 120.0° |
| C14 | C13 | C12 | 109.4° | 120.0° |
| C14 | C13 | H12 | 125.3° | 120.0° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C13 | C14 | H15 | 120.0° | 120.0° |
| O15 | C12 | C13 | 119.6° | 120.0° |
| C12 | C13 | H12 | 125.3° | 119.9° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C07 | H5 | 109.5° | 109.5° |
| H4 | C07 | H6 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.4° | 109.5° |
| H7 | C08 | H8 | 109.4° | 109.5° |
| H7 | C08 | H9 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H14 | C14 | H15 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C18 | N03 | 179.9° | 179.7° |
| C01 | C02 | C18 | C17 | 179.9° | 179.9° |
| C01 | C02 | N03 | N04 | 179.9° | 179.9° |
| C02 | C01 | H1 | H2 | 120.0° | 120.1° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C18 | H17 | 0.1° | 0.0° |
| C02 | C18 | C17 | H17 | 180.0° | 179.9° |
| C18 | C02 | N03 | N04 | 0.0° | 0.3° |
| C02 | C18 | C17 | N04 | 0.0° | 0.4° |
| C02 | C18 | C17 | N16 | 179.6° | 179.9° |
| C18 | C02 | C01 | H1 | 179.8° | 90.0° |
| C18 | C02 | C01 | H2 | 60.2° | 150.0° |
| C18 | C02 | C01 | H3 | 59.8° | 30.0° |
| N03 | C02 | C18 | C17 | 0.0° | 0.4° |
| C02 | N03 | N04 | C17 | 0.0° | 0.0° |
| C02 | N03 | N04 | C05 | 180.0° | 180.0° |
| N03 | C02 | C01 | H1 | 0.0° | 89.7° |
| N03 | C02 | C01 | H2 | 120.0° | 30.4° |
| N03 | C02 | C01 | H3 | 120.0° | 150.3° |
| N03 | C02 | C18 | H17 | 179.9° | 179.6° |
| C18 | C17 | N04 | N03 | 0.0° | 0.2° |
| C18 | C17 | N04 | N16 | 179.7° | 179.8° |
| C18 | C17 | N04 | C05 | 180.0° | 179.8° |
| C18 | C17 | N16 | C10 | 179.7° | 179.7° |
| N03 | N04 | C17 | C05 | 180.0° | 180.0° |
| N03 | N04 | C17 | N16 | 179.6° | 180.0° |
| N03 | N04 | C05 | N06 | 0.0° | 0.0° |
| N03 | N04 | C05 | C09 | 179.9° | 180.0° |
| N04 | C17 | N16 | C10 | 0.8° | 0.0° |
| C17 | N04 | C05 | N06 | 180.0° | 180.0° |
| C17 | N04 | C05 | C09 | 0.0° | 0.0° |
| N04 | C17 | C18 | H17 | 179.9° | 179.7° |
| N16 | C17 | N04 | C05 | 0.4° | 0.0° |
| C17 | N16 | C10 | C09 | 0.7° | 0.0° |
| C17 | N16 | C10 | N11 | 179.4° | 180.0° |
| N16 | C17 | C18 | H17 | 0.4° | 0.1° |
| N04 | C05 | N06 | C08 | 3.6° | 61.7° |
| N04 | C05 | N06 | C09 | 179.9° | 179.9° |
| N04 | C05 | C09 | C10 | 0.1° | 0.1° |
| N04 | C05 | N06 | C07 | 176.5° | 118.4° |
| N04 | C05 | C09 | H10 | 179.9° | 179.9° |
| N16 | C10 | C09 | C05 | 0.3° | 0.1° |
| N16 | C10 | C09 | N11 | 179.9° | 179.9° |
| N16 | C10 | N11 | C12 | 141.0° | 0.0° |
| N16 | C10 | C09 | H10 | 179.7° | 179.9° |
| N16 | C10 | N11 | H11 | 38.9° | 179.9° |
| C08 | N06 | C05 | C07 | 179.9° | 179.9° |
| C08 | N06 | C05 | C09 | 176.3° | 118.2° |
| C08 | N06 | C07 | H4 | 180.0° | 90.1° |
| C08 | N06 | C07 | H5 | 60.0° | 30.0° |
| C08 | N06 | C07 | H6 | 60.0° | 150.0° |
| N06 | C08 | H7 | H8 | 120.0° | 120.1° |
| N06 | C08 | H7 | H9 | 120.0° | 120.0° |
| N06 | C08 | H8 | H9 | 120.0° | 120.0° |
| N06 | C05 | C09 | C10 | 180.0° | 180.0° |
| C05 | N06 | C07 | H4 | 0.1° | 90.0° |
| C05 | N06 | C07 | H5 | 120.1° | 150.0° |
| C05 | N06 | C07 | H6 | 119.9° | 29.9° |
| C05 | N06 | C08 | H7 | 180.0° | 5.0° |
| C05 | N06 | C08 | H8 | 60.0° | 125.0° |
| C05 | N06 | C08 | H9 | 60.0° | 114.9° |
| N06 | C05 | C09 | H10 | 0.0° | 0.1° |
| C05 | C09 | C10 | H10 | 180.0° | 179.9° |
| C05 | C09 | C10 | N11 | 179.8° | 180.0° |
| C09 | C05 | N06 | C07 | 3.6° | 61.7° |
| C09 | C10 | N11 | C12 | 39.1° | 179.9° |
| C09 | C10 | N11 | H11 | 141.0° | 0.0° |
| C10 | N11 | C12 | H11 | 180.0° | 179.9° |
| C10 | N11 | C12 | O15 | 4.1° | 0.0° |
| C10 | N11 | C12 | C13 | 177.2° | 180.0° |
| N11 | C10 | C09 | H10 | 0.2° | 0.1° |
| N06 | C07 | H4 | H5 | 120.0° | 120.0° |
| N06 | C07 | H4 | H6 | 120.0° | 119.9° |
| N06 | C07 | H5 | H6 | 120.0° | 120.0° |
| C07 | N06 | C08 | H7 | 0.1° | 174.9° |
| C07 | N06 | C08 | H8 | 120.1° | 54.9° |
| C07 | N06 | C08 | H9 | 119.9° | 65.1° |
| N11 | C12 | C13 | C14 | 87.1° | 179.9° |
| N11 | C12 | O15 | C13 | 178.7° | 179.9° |
| N11 | C12 | C13 | H12 | 92.9° | 0.0° |
| C14 | C13 | C12 | O15 | 94.1° | 0.0° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C13 | C14 | H14 | H15 | 180.0° | 179.9° |
| O15 | C12 | N11 | H11 | 175.9° | 180.0° |
| O15 | C12 | C13 | H12 | 85.9° | 180.0° |
| C13 | C12 | N11 | H11 | 2.8° | 0.1° |
| C12 | C13 | C14 | H14 | 180.0° | 180.0° |
| C12 | C13 | C14 | H15 | 0.0° | 0.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H4 | C07 | H5 | H6 | 120.0° | 120.0° |
| H7 | C08 | H8 | H9 | 120.0° | 120.0° |
| H12 | C13 | C14 | H14 | 0.0° | 0.1° |
| H12 | C13 | C14 | H15 | 180.0° | 180.0° |
