A1CO8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.35Å | 1.45Å | |
| O03 | C02 | doub | 1.21Å | 1.19Å | |
| C02 | C04 | sing | 1.51Å | 1.53Å | |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.42Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.37Å | 1.39Å | Aromatic |
| C07 | N06 | sing | 1.38Å | 1.36Å | Aromatic |
| C07 | C12 | doub | 1.40Å | 1.37Å | Aromatic |
| N06 | C05 | sing | 1.36Å | 1.33Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | N13 | sing | 1.36Å | 1.36Å | Aromatic |
| C05 | N13 | doub | 1.30Å | 1.33Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| N01 | H7 | sing | 0.97Å | 1.00Å | |
| N01 | H8 | sing | 0.97Å | 1.00Å | |
| N06 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | O03 | 120.0° | 120.0° |
| N01 | C02 | C04 | 119.9° | 120.0° |
| C02 | N01 | H7 | 120.0° | 120.0° |
| C02 | N01 | H8 | 120.0° | 119.9° |
| O03 | C02 | C04 | 120.1° | 120.0° |
| C02 | C04 | C05 | 112.3° | 109.5° |
| C02 | C04 | H2 | 108.7° | 109.5° |
| C02 | C04 | H3 | 108.8° | 109.4° |
| C09 | C08 | C07 | 119.8° | 119.7° |
| C08 | C09 | C10 | 120.1° | 120.4° |
| C09 | C08 | H4 | 120.1° | 120.1° |
| C08 | C09 | H5 | 120.0° | 119.8° |
| C08 | C07 | N06 | 132.9° | 134.1° |
| C08 | C07 | C12 | 120.3° | 119.9° |
| C07 | C08 | H4 | 120.1° | 120.2° |
| C09 | C10 | C11 | 120.0° | 120.7° |
| C09 | C10 | H1 | 120.0° | 119.6° |
| C10 | C09 | H5 | 120.0° | 119.8° |
| C10 | C11 | C12 | 120.1° | 119.9° |
| C11 | C10 | H1 | 120.0° | 119.7° |
| C10 | C11 | H6 | 120.0° | 120.0° |
| N06 | C07 | C12 | 106.9° | 106.0° |
| C07 | N06 | C05 | 108.7° | 107.3° |
| C07 | N06 | H9 | 125.6° | 126.4° |
| C07 | C12 | C11 | 119.8° | 119.5° |
| C07 | C12 | N13 | 106.8° | 106.9° |
| N06 | C05 | N13 | 109.0° | 110.1° |
| N06 | C05 | C04 | 124.9° | 124.9° |
| C05 | N06 | H9 | 125.6° | 126.3° |
| C11 | C12 | N13 | 133.4° | 133.6° |
| C12 | C11 | H6 | 119.9° | 120.1° |
| C12 | N13 | C05 | 108.6° | 109.7° |
| N13 | C05 | C04 | 126.1° | 125.0° |
| C05 | C04 | H2 | 108.8° | 109.5° |
| C05 | C04 | H3 | 108.7° | 109.5° |
| H2 | C04 | H3 | 109.5° | 109.5° |
| H7 | N01 | H8 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | O03 | C04 | 179.6° | 180.0° |
| N01 | C02 | C04 | C05 | 54.4° | 180.0° |
| N01 | C02 | C04 | H2 | 174.8° | 60.0° |
| N01 | C02 | C04 | H3 | 66.0° | 60.0° |
| C02 | N01 | H7 | H8 | 180.0° | 179.9° |
| O03 | C02 | C04 | C05 | 125.2° | 0.0° |
| O03 | C02 | C04 | H2 | 4.8° | 120.0° |
| O03 | C02 | C04 | H3 | 114.4° | 120.0° |
| O03 | C02 | N01 | H7 | 0.0° | 180.0° |
| O03 | C02 | N01 | H8 | 180.0° | 0.0° |
| C02 | C04 | C05 | N06 | 57.3° | 125.0° |
| C02 | C04 | C05 | N13 | 123.2° | 55.0° |
| C02 | C04 | C05 | H2 | 120.4° | 120.0° |
| C02 | C04 | C05 | H3 | 120.4° | 119.9° |
| C02 | C04 | H2 | H3 | 118.7° | 120.0° |
| C04 | C02 | N01 | H7 | 179.6° | 0.1° |
| C04 | C02 | N01 | H8 | 0.4° | 180.0° |
| C09 | C08 | C07 | H4 | 180.0° | 179.5° |
| C08 | C09 | C10 | H5 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.0° | 0.0° |
| C09 | C08 | C07 | N06 | 179.9° | 179.3° |
| C09 | C08 | C07 | C12 | 0.0° | 0.8° |
| C08 | C09 | C10 | H1 | 179.9° | 179.7° |
| C07 | C08 | C09 | C10 | 0.0° | 0.5° |
| C08 | C07 | N06 | C12 | 180.0° | 180.0° |
| C08 | C07 | N06 | C05 | 179.9° | 180.0° |
| C08 | C07 | C12 | C11 | 0.0° | 0.5° |
| C08 | C07 | C12 | N13 | 180.0° | 180.0° |
| C07 | C08 | C09 | H5 | 180.0° | 179.5° |
| C08 | C07 | N06 | H9 | 0.0° | 0.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C09 | C10 | C11 | C12 | 0.0° | 0.2° |
| C10 | C09 | C08 | H4 | 180.0° | 180.0° |
| C09 | C10 | C11 | H6 | 180.0° | 179.7° |
| C10 | C11 | C12 | C07 | 0.0° | 0.1° |
| C10 | C11 | C12 | H6 | 180.0° | 179.9° |
| C10 | C11 | C12 | N13 | 180.0° | 179.4° |
| C11 | C10 | C09 | H5 | 180.0° | 180.0° |
| C07 | N06 | C05 | H9 | 180.0° | 180.0° |
| N06 | C07 | C12 | C11 | 180.0° | 179.5° |
| N06 | C07 | C12 | N13 | 0.0° | 0.0° |
| C07 | N06 | C05 | N13 | 0.1° | 0.1° |
| C07 | N06 | C05 | C04 | 179.7° | 180.0° |
| N06 | C07 | C08 | H4 | 0.0° | 0.2° |
| C12 | C07 | N06 | C05 | 0.0° | 0.0° |
| C07 | C12 | C11 | N13 | 179.9° | 179.3° |
| C07 | C12 | N13 | C05 | 0.0° | 0.0° |
| C12 | C07 | C08 | H4 | 180.0° | 179.8° |
| C07 | C12 | C11 | H6 | 180.0° | 179.9° |
| C12 | C07 | N06 | H9 | 180.0° | 180.0° |
| N06 | C05 | N13 | C12 | 0.1° | 0.1° |
| N06 | C05 | N13 | C04 | 179.6° | 179.9° |
| N06 | C05 | C04 | H2 | 177.7° | 5.0° |
| N06 | C05 | C04 | H3 | 63.1° | 115.1° |
| C11 | C12 | N13 | C05 | 179.9° | 179.3° |
| C12 | C11 | C10 | H1 | 179.9° | 180.0° |
| C12 | N13 | C05 | C04 | 179.7° | 180.0° |
| N13 | C12 | C11 | H6 | 0.0° | 0.7° |
| N13 | C05 | C04 | H2 | 2.8° | 175.0° |
| N13 | C05 | C04 | H3 | 116.4° | 65.0° |
| N13 | C05 | N06 | H9 | 180.0° | 180.0° |
| C05 | C04 | H2 | H3 | 118.7° | 120.0° |
| C04 | C05 | N06 | H9 | 0.3° | 0.0° |
| H1 | C10 | C09 | H5 | 0.1° | 0.3° |
| H1 | C10 | C11 | H6 | 0.0° | 0.1° |
| H4 | C08 | C09 | H5 | 0.0° | 0.0° |
