A1COV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C07 | doub | 1.36Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.40Å | 1.42Å | Aromatic |
| C05 | C04 | doub | 1.37Å | 1.39Å | Aromatic |
| C08 | N09 | sing | 1.34Å | 1.38Å | |
| C08 | C03 | doub | 1.42Å | 1.37Å | Aromatic |
| N09 | C10 | doub | 1.33Å | 1.37Å | |
| C04 | C03 | sing | 1.40Å | 1.42Å | Aromatic |
| C03 | C02 | sing | 1.46Å | 1.42Å | |
| C10 | C11 | sing | 1.41Å | 1.43Å | |
| C10 | N15 | sing | 1.37Å | 1.30Å | |
| C11 | C12 | doub | 1.36Å | 1.40Å | |
| C02 | N15 | sing | 1.35Å | 1.37Å | |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| N15 | C14 | sing | 1.37Å | 1.36Å | |
| C12 | C13 | sing | 1.40Å | 1.40Å | |
| C14 | C13 | doub | 1.35Å | 1.39Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | C05 | 120.2° | 121.0° |
| C06 | C07 | C08 | 119.7° | 119.7° |
| C07 | C06 | H4 | 119.9° | 119.5° |
| C06 | C07 | H5 | 120.1° | 120.2° |
| C06 | C05 | C04 | 120.2° | 120.8° |
| C06 | C05 | H3 | 119.9° | 119.6° |
| C05 | C06 | H4 | 119.9° | 119.5° |
| C07 | C08 | N09 | 120.1° | 121.7° |
| C07 | C08 | C03 | 120.0° | 119.1° |
| C08 | C07 | H5 | 120.1° | 120.2° |
| C05 | C04 | C03 | 119.6° | 119.5° |
| C05 | C04 | H2 | 120.2° | 120.2° |
| C04 | C05 | H3 | 119.9° | 119.6° |
| N09 | C08 | C03 | 119.9° | 119.3° |
| C08 | N09 | C10 | 120.3° | 122.0° |
| C08 | C03 | C04 | 120.3° | 119.9° |
| C08 | C03 | C02 | 117.7° | 118.1° |
| N09 | C10 | C11 | 118.3° | 118.6° |
| N09 | C10 | N15 | 121.0° | 122.2° |
| C04 | C03 | C02 | 122.0° | 122.0° |
| C03 | C04 | H2 | 120.2° | 120.2° |
| C03 | C02 | N15 | 119.6° | 117.9° |
| C03 | C02 | O01 | 120.3° | 121.0° |
| C11 | C10 | N15 | 120.7° | 119.2° |
| C10 | C11 | C12 | 119.5° | 119.7° |
| C10 | C11 | H6 | 120.2° | 120.2° |
| C10 | N15 | C02 | 121.6° | 120.5° |
| C10 | N15 | C14 | 121.4° | 120.5° |
| C11 | C12 | C13 | 117.9° | 119.7° |
| C12 | C11 | H6 | 120.3° | 120.2° |
| C11 | C12 | H7 | 121.1° | 120.1° |
| N15 | C02 | O01 | 120.1° | 121.1° |
| C02 | N15 | C14 | 117.1° | 119.0° |
| N15 | C14 | C13 | 121.0° | 120.8° |
| N15 | C14 | H8 | 119.5° | 119.6° |
| C12 | C13 | C14 | 119.5° | 120.2° |
| C12 | C13 | H1 | 120.3° | 119.9° |
| C13 | C12 | H7 | 121.1° | 120.2° |
| C14 | C13 | H1 | 120.2° | 119.9° |
| C13 | C14 | H8 | 119.5° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | C05 | H4 | 180.0° | 179.6° |
| C06 | C07 | C08 | H5 | 180.0° | 179.7° |
| C07 | C06 | C05 | C04 | 0.2° | 0.1° |
| C06 | C07 | C08 | N09 | 180.0° | 180.0° |
| C06 | C07 | C08 | C03 | 0.2° | 0.6° |
| C07 | C06 | C05 | H3 | 179.8° | 180.0° |
| C05 | C06 | C07 | C08 | 0.0° | 0.3° |
| C06 | C05 | C04 | H3 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 0.2° | 0.1° |
| C06 | C05 | C04 | H2 | 179.8° | 180.0° |
| C05 | C06 | C07 | H5 | 180.0° | 179.9° |
| C07 | C08 | N09 | C03 | 179.8° | 179.4° |
| C07 | C08 | N09 | C10 | 179.8° | 179.4° |
| C07 | C08 | C03 | C04 | 0.2° | 0.6° |
| C07 | C08 | C03 | C02 | 179.8° | 179.7° |
| C08 | C07 | C06 | H4 | 180.0° | 180.0° |
| C05 | C04 | C03 | C08 | 0.0° | 0.3° |
| C05 | C04 | C03 | H2 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 180.0° | 179.9° |
| C04 | C05 | C06 | H4 | 179.8° | 179.7° |
| N09 | C08 | C03 | C04 | 180.0° | 180.0° |
| N09 | C08 | C03 | C02 | 0.1° | 0.2° |
| C08 | N09 | C10 | C11 | 180.0° | 180.0° |
| C08 | N09 | C10 | N15 | 0.1° | 0.4° |
| N09 | C08 | C07 | H5 | 0.0° | 0.3° |
| C03 | C08 | N09 | C10 | 0.1° | 0.1° |
| C08 | C03 | C04 | C02 | 180.0° | 179.8° |
| C08 | C03 | C02 | N15 | 0.1° | 0.2° |
| C08 | C03 | C02 | O01 | 180.0° | 179.7° |
| C08 | C03 | C04 | H2 | 180.0° | 179.8° |
| C03 | C08 | C07 | H5 | 179.8° | 179.7° |
| N09 | C10 | C11 | N15 | 179.9° | 179.7° |
| N09 | C10 | C11 | C12 | 180.0° | 179.7° |
| N09 | C10 | N15 | C02 | 0.1° | 0.4° |
| N09 | C10 | N15 | C14 | 179.1° | 179.7° |
| N09 | C10 | C11 | H6 | 0.0° | 0.3° |
| C04 | C03 | C02 | N15 | 180.0° | 180.0° |
| C04 | C03 | C02 | O01 | 0.0° | 0.1° |
| C03 | C04 | C05 | H3 | 179.8° | 180.0° |
| C03 | C02 | N15 | C10 | 0.1° | 0.0° |
| C03 | C02 | N15 | O01 | 179.9° | 179.9° |
| C03 | C02 | N15 | C14 | 179.1° | 180.0° |
| C02 | C03 | C04 | H2 | 0.0° | 0.0° |
| C10 | C11 | C12 | H6 | 180.0° | 180.0° |
| C11 | C10 | N15 | C02 | 180.0° | 180.0° |
| C11 | C10 | N15 | C14 | 1.0° | 0.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H7 | 179.9° | 180.0° |
| N15 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | N15 | C02 | C14 | 179.0° | 180.0° |
| C10 | N15 | C02 | O01 | 180.0° | 180.0° |
| C10 | N15 | C14 | C13 | 1.8° | 0.1° |
| N15 | C10 | C11 | H6 | 179.9° | 180.0° |
| C10 | N15 | C14 | H8 | 178.3° | 180.0° |
| C11 | C12 | C13 | H7 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.6° | 0.1° |
| C11 | C12 | C13 | H1 | 179.4° | 180.0° |
| C02 | N15 | C14 | C13 | 179.2° | 179.9° |
| C02 | N15 | C14 | H8 | 0.8° | 0.0° |
| O01 | C02 | N15 | C14 | 1.0° | 0.1° |
| N15 | C14 | C13 | C12 | 1.6° | 0.1° |
| N15 | C14 | C13 | H8 | 180.0° | 179.9° |
| N15 | C14 | C13 | H1 | 178.5° | 180.0° |
| C12 | C13 | C14 | H1 | 180.0° | 179.9° |
| C13 | C12 | C11 | H6 | 179.9° | 180.0° |
| C12 | C13 | C14 | H8 | 178.5° | 180.0° |
| C14 | C13 | C12 | H7 | 179.4° | 179.9° |
| H1 | C13 | C12 | H7 | 0.6° | 0.0° |
| H1 | C13 | C14 | H8 | 1.5° | 0.1° |
| H2 | C04 | C05 | H3 | 0.2° | 0.1° |
| H3 | C05 | C06 | H4 | 0.2° | 0.4° |
| H4 | C06 | C07 | H5 | 0.0° | 0.3° |
| H6 | C11 | C12 | H7 | 0.1° | 0.0° |
