A1CDN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C9 | sing | 1.48Å | 1.50Å | |
| N10 | C11 | sing | 1.48Å | 1.50Å | |
| C9 | C8 | sing | 1.51Å | 1.49Å | |
| O2 | C1 | sing | 1.43Å | 1.41Å | |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| C11 | C7 | sing | 1.51Å | 1.49Å | |
| C8 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| N10 | H10B | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N10 | C11 | 107.6° | 104.0° |
| N10 | C9 | C8 | 105.9° | 105.7° |
| N10 | C9 | H9A | 110.4° | 110.0° |
| N10 | C9 | H9B | 110.3° | 110.5° |
| C9 | N10 | H10B | 109.9° | 110.9° |
| N10 | C11 | C7 | 105.8° | 105.7° |
| N10 | C11 | H11A | 110.4° | 110.2° |
| N10 | C11 | H11B | 110.4° | 110.3° |
| C11 | N10 | H10B | 109.9° | 110.9° |
| C9 | C8 | C3 | 129.7° | 131.8° |
| C9 | C8 | C7 | 110.0° | 108.3° |
| C8 | C9 | H9A | 110.3° | 110.2° |
| C8 | C9 | H9B | 110.3° | 110.2° |
| C1 | O2 | C3 | 116.6° | 117.0° |
| O2 | C1 | H1A | 109.5° | 109.5° |
| O2 | C1 | H1B | 109.5° | 109.5° |
| O2 | C1 | H1C | 109.4° | 109.5° |
| O2 | C3 | C8 | 115.2° | 120.1° |
| O2 | C3 | C4 | 125.2° | 120.0° |
| C11 | C7 | C8 | 110.5° | 108.2° |
| C11 | C7 | C6 | 129.4° | 131.8° |
| C7 | C11 | H11A | 110.4° | 110.2° |
| C7 | C11 | H11B | 110.4° | 110.2° |
| C3 | C8 | C7 | 120.3° | 119.9° |
| C8 | C3 | C4 | 119.6° | 119.9° |
| C8 | C7 | C6 | 120.1° | 120.0° |
| C3 | C4 | C5 | 119.7° | 119.9° |
| C3 | C4 | H4 | 120.2° | 120.0° |
| C7 | C6 | C5 | 119.6° | 120.2° |
| C7 | C6 | H6 | 120.2° | 119.9° |
| C4 | C5 | C6 | 120.6° | 120.0° |
| C5 | C4 | H4 | 120.2° | 120.0° |
| C4 | C5 | H5 | 119.7° | 120.0° |
| C6 | C5 | H5 | 119.7° | 120.0° |
| C5 | C6 | H6 | 120.2° | 119.9° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1C | 109.5° | 109.4° |
| H1B | C1 | H1C | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 110.2° |
| H9A | C9 | H9B | 109.5° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | N10 | C11 | H10B | 119.7° | 119.3° |
| N10 | C9 | C8 | H9A | 119.4° | 118.8° |
| N10 | C9 | C8 | H9B | 119.4° | 119.4° |
| C9 | N10 | C11 | C7 | 2.2° | 27.5° |
| N10 | C9 | C8 | C3 | 179.0° | 162.3° |
| N10 | C9 | C8 | C7 | 2.4° | 17.3° |
| C9 | N10 | C11 | H11A | 117.2° | 91.6° |
| C9 | N10 | C11 | H11B | 121.6° | 146.5° |
| N10 | C9 | H9A | H9B | 121.6° | 122.1° |
| C11 | N10 | C9 | C8 | 2.8° | 27.4° |
| N10 | C11 | C7 | H11A | 119.4° | 119.1° |
| N10 | C11 | C7 | H11B | 119.4° | 119.1° |
| N10 | C11 | C7 | C8 | 0.8° | 17.5° |
| N10 | C11 | C7 | C6 | 179.7° | 162.5° |
| N10 | C11 | H11A | H11B | 121.7° | 121.9° |
| C11 | N10 | C9 | H9A | 122.2° | 146.3° |
| C11 | N10 | C9 | H9B | 116.6° | 91.7° |
| C9 | C8 | C3 | O2 | 2.1° | 0.5° |
| C9 | C8 | C7 | C11 | 1.0° | 0.1° |
| C9 | C8 | C3 | C7 | 178.5° | 179.6° |
| C9 | C8 | C3 | C4 | 178.3° | 180.0° |
| C9 | C8 | C7 | C6 | 178.6° | 179.8° |
| C8 | C9 | H9A | H9B | 121.6° | 121.8° |
| C8 | C9 | N10 | H10B | 122.5° | 91.8° |
| C1 | O2 | C3 | C8 | 175.5° | 180.0° |
| C1 | O2 | C3 | C4 | 4.9° | 0.5° |
| O2 | C1 | H1A | H1B | 120.0° | 120.0° |
| O2 | C1 | H1A | H1C | 120.0° | 120.0° |
| O2 | C1 | H1B | H1C | 120.0° | 120.0° |
| O2 | C3 | C8 | C4 | 179.6° | 179.5° |
| O2 | C3 | C8 | C7 | 179.4° | 180.0° |
| O2 | C3 | C4 | C5 | 179.4° | 180.0° |
| O2 | C3 | C4 | H4 | 0.6° | 0.2° |
| C3 | O2 | C1 | H1A | 180.0° | 60.0° |
| C3 | O2 | C1 | H1B | 60.0° | 180.0° |
| C3 | O2 | C1 | H1C | 60.0° | 60.0° |
| C11 | C7 | C8 | C3 | 179.8° | 179.8° |
| C11 | C7 | C8 | C6 | 179.6° | 179.9° |
| C11 | C7 | C6 | C5 | 179.6° | 180.0° |
| C11 | C7 | C6 | H6 | 0.4° | 0.1° |
| C7 | C11 | H11A | H11B | 121.7° | 121.8° |
| C7 | C11 | N10 | H10B | 122.0° | 91.8° |
| C3 | C8 | C7 | C6 | 0.2° | 0.2° |
| C8 | C3 | C4 | C5 | 0.2° | 0.5° |
| C8 | C3 | C4 | H4 | 179.8° | 179.7° |
| C3 | C8 | C9 | H9A | 59.6° | 43.5° |
| C3 | C8 | C9 | H9B | 61.6° | 78.3° |
| C7 | C8 | C3 | C4 | 0.2° | 0.5° |
| C8 | C7 | C6 | C5 | 0.1° | 0.1° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C8 | C7 | C11 | H11A | 118.7° | 101.6° |
| C8 | C7 | C11 | H11B | 120.2° | 136.6° |
| C7 | C8 | C9 | H9A | 121.8° | 136.1° |
| C7 | C8 | C9 | H9B | 117.0° | 102.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.1° | 0.2° |
| C3 | C4 | C5 | H5 | 179.9° | 179.7° |
| C7 | C6 | C5 | C4 | 0.1° | 0.1° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | C7 | C11 | H11A | 60.9° | 78.5° |
| C6 | C7 | C11 | H11B | 60.3° | 43.4° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| H1A | C1 | H1B | H1C | 120.0° | 119.9° |
| H11A | C11 | N10 | H10B | 2.5° | 149.2° |
| H11B | C11 | N10 | H10B | 118.6° | 27.3° |
| H9A | C9 | N10 | H10B | 118.0° | 27.1° |
| H9B | C9 | N10 | H10B | 3.1° | 149.0° |
