A1CV5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.40Å | 1.42Å | |
| N1 | C8 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.35Å | 1.36Å | Aromatic |
| N1 | C11 | sing | 1.37Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 111.4° | 109.5° |
| O1 | C1 | H2 | 109.0° | 109.5° |
| O1 | C1 | H3 | 109.0° | 109.4° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C1 | C2 | C3 | 120.7° | 120.0° |
| C1 | C2 | C7 | 120.5° | 120.0° |
| C2 | C1 | H2 | 109.0° | 109.5° |
| C2 | C1 | H3 | 109.0° | 109.5° |
| C2 | C3 | C4 | 120.5° | 120.1° |
| C3 | C2 | C7 | 118.8° | 120.1° |
| C2 | C3 | H4 | 119.8° | 119.9° |
| C3 | C4 | C5 | 120.6° | 120.1° |
| C4 | C3 | H4 | 119.7° | 120.0° |
| C3 | C4 | H5 | 119.7° | 119.9° |
| C4 | C5 | C6 | 118.9° | 119.9° |
| C5 | C4 | H5 | 119.7° | 120.0° |
| C4 | C5 | H6 | 120.6° | 120.0° |
| C5 | C6 | C7 | 120.6° | 119.9° |
| C5 | C6 | N1 | 120.1° | 120.1° |
| C6 | C5 | H6 | 120.6° | 120.0° |
| C6 | C7 | C2 | 120.6° | 119.9° |
| C7 | C6 | N1 | 119.2° | 120.0° |
| C6 | C7 | H7 | 119.7° | 120.0° |
| C2 | C7 | H7 | 119.7° | 120.0° |
| C6 | N1 | C8 | 125.8° | 125.7° |
| C6 | N1 | C11 | 126.0° | 125.7° |
| N1 | C8 | C9 | 108.3° | 108.2° |
| C8 | N1 | C11 | 108.2° | 108.7° |
| N1 | C8 | H8 | 125.9° | 125.9° |
| C8 | C9 | C10 | 107.6° | 107.5° |
| C9 | C8 | H8 | 125.9° | 125.9° |
| C8 | C9 | H9 | 126.2° | 126.3° |
| C9 | C10 | C11 | 107.6° | 107.5° |
| C9 | C10 | H10 | 126.2° | 126.3° |
| C10 | C9 | H9 | 126.2° | 126.2° |
| C10 | C11 | N1 | 108.3° | 108.2° |
| C11 | C10 | H10 | 126.2° | 126.3° |
| C10 | C11 | H11 | 125.8° | 125.9° |
| N1 | C11 | H11 | 125.9° | 125.9° |
| H2 | C1 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H2 | 120.3° | 120.0° |
| O1 | C1 | C2 | H3 | 120.3° | 120.0° |
| O1 | C1 | C2 | C3 | 144.8° | 90.0° |
| O1 | C1 | C2 | C7 | 35.5° | 90.3° |
| O1 | C1 | H2 | H3 | 119.1° | 120.0° |
| C1 | C2 | C3 | C7 | 179.7° | 179.7° |
| C1 | C2 | C3 | C4 | 179.8° | 180.0° |
| C1 | C2 | C7 | C6 | 180.0° | 179.7° |
| C2 | C1 | H2 | H3 | 119.2° | 120.0° |
| C1 | C2 | C3 | H4 | 0.2° | 0.1° |
| C1 | C2 | C7 | H7 | 0.0° | 0.0° |
| C2 | C1 | O1 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C7 | C6 | 0.3° | 0.6° |
| C3 | C2 | C1 | H2 | 24.6° | 150.0° |
| C3 | C2 | C1 | H3 | 94.9° | 30.0° |
| C2 | C3 | C4 | H5 | 179.9° | 180.0° |
| C3 | C2 | C7 | H7 | 179.6° | 179.8° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C4 | C3 | C2 | C7 | 0.5° | 0.3° |
| C3 | C4 | C5 | H6 | 179.5° | 179.9° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.7° | 0.4° |
| C4 | C5 | C6 | N1 | 179.6° | 180.0° |
| C5 | C4 | C3 | H4 | 179.9° | 179.9° |
| C5 | C6 | C7 | N1 | 179.8° | 179.6° |
| C5 | C6 | C7 | C2 | 0.2° | 0.6° |
| C5 | C6 | N1 | C8 | 161.9° | 0.0° |
| C5 | C6 | N1 | C11 | 18.1° | 179.5° |
| C6 | C5 | C4 | H5 | 179.5° | 179.9° |
| C5 | C6 | C7 | H7 | 179.8° | 179.7° |
| C6 | C7 | C2 | H7 | 180.0° | 179.6° |
| C7 | C6 | N1 | C8 | 18.3° | 179.7° |
| C7 | C6 | N1 | C11 | 161.7° | 0.2° |
| C7 | C6 | C5 | H6 | 179.3° | 179.8° |
| C2 | C7 | C6 | N1 | 180.0° | 179.7° |
| C7 | C2 | C1 | H2 | 155.7° | 29.7° |
| C7 | C2 | C1 | H3 | 84.8° | 149.7° |
| C7 | C2 | C3 | H4 | 179.5° | 179.7° |
| C6 | N1 | C8 | C11 | 180.0° | 179.6° |
| C6 | N1 | C8 | C9 | 179.9° | 179.9° |
| C6 | N1 | C11 | C10 | 180.0° | 180.0° |
| C6 | N1 | C11 | H11 | 0.0° | 0.1° |
| N1 | C6 | C5 | H6 | 0.5° | 0.1° |
| N1 | C6 | C7 | H7 | 0.0° | 0.1° |
| C6 | N1 | C8 | H8 | 0.1° | 0.2° |
| N1 | C8 | C9 | H8 | 180.0° | 179.9° |
| N1 | C8 | C9 | C10 | 0.1° | 0.2° |
| C8 | N1 | C11 | C10 | 0.0° | 0.4° |
| C8 | N1 | C11 | H11 | 180.0° | 179.7° |
| N1 | C8 | C9 | H9 | 179.9° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.8° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C9 | C8 | N1 | C11 | 0.1° | 0.4° |
| C8 | C9 | C10 | H10 | 179.9° | 179.8° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C9 | C10 | C11 | N1 | 0.0° | 0.3° |
| C9 | C10 | C11 | H11 | 180.0° | 179.8° |
| C10 | C9 | C8 | H8 | 179.9° | 179.9° |
| C10 | C11 | N1 | H11 | 180.0° | 179.9° |
| C11 | C10 | C9 | H9 | 179.9° | 179.7° |
| N1 | C11 | C10 | H10 | 180.0° | 180.0° |
| C11 | N1 | C8 | H8 | 179.9° | 179.8° |
| H10 | C10 | C11 | H11 | 0.0° | 0.1° |
| H10 | C10 | C9 | H9 | 0.1° | 0.0° |
| H2 | C1 | O1 | H1 | 59.7° | 60.0° |
| H3 | C1 | O1 | H1 | 59.7° | 60.0° |
| H4 | C3 | C4 | H5 | 0.1° | 0.1° |
| H5 | C4 | C5 | H6 | 0.5° | 0.1° |
| H8 | C8 | C9 | H9 | 0.1° | 0.2° |
