A1A6O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C10 | sing | 1.40Å | 1.39Å | |
| C10 | C1 | sing | 1.54Å | 1.54Å | |
| C10 | C9 | sing | 1.54Å | 1.57Å | |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.54Å | 1.56Å | |
| C9 | N1 | sing | 1.48Å | 1.49Å | |
| C2 | N1 | sing | 1.48Å | 1.49Å | |
| N1 | C3 | sing | 1.38Å | 1.45Å | |
| C3 | N2 | doub | 1.33Å | 1.37Å | Aromatic |
| C3 | C6 | sing | 1.40Å | 1.45Å | Aromatic |
| C7 | C6 | sing | 1.46Å | 1.46Å | Aromatic |
| C7 | C8 | doub | 1.34Å | 1.39Å | Aromatic |
| N2 | C4 | sing | 1.32Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.44Å | Aromatic |
| C8 | N4 | sing | 1.37Å | 1.36Å | Aromatic |
| C4 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| C5 | N4 | sing | 1.37Å | 1.35Å | Aromatic |
| C5 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N4 | H9 | sing | 0.97Å | 1.00Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C10 | C1 | 110.0° | 110.3° |
| F1 | C10 | C9 | 109.6° | 110.3° |
| F1 | C10 | H2 | 111.2° | 110.3° |
| C1 | C10 | C9 | 108.1° | 105.0° |
| C10 | C1 | O1 | 109.0° | 110.4° |
| C10 | C1 | C2 | 102.8° | 105.0° |
| C10 | C1 | H1 | 110.1° | 110.3° |
| C1 | C10 | H2 | 109.1° | 110.3° |
| C10 | C9 | N1 | 106.3° | 104.6° |
| C10 | C9 | H11 | 110.3° | 110.3° |
| C10 | C9 | H10 | 110.2° | 110.5° |
| C9 | C10 | H2 | 108.8° | 110.3° |
| O1 | C1 | C2 | 112.8° | 110.3° |
| O1 | C1 | H1 | 112.0° | 110.3° |
| C1 | O1 | H3 | 109.5° | 114.0° |
| C1 | C2 | N1 | 108.7° | 104.6° |
| C2 | C1 | H1 | 109.7° | 110.3° |
| C1 | C2 | H4 | 109.7° | 110.4° |
| C1 | C2 | H5 | 109.7° | 110.4° |
| C9 | N1 | C2 | 109.2° | 104.2° |
| C9 | N1 | C3 | 127.5° | 111.0° |
| N1 | C9 | H11 | 110.2° | 110.5° |
| N1 | C9 | H10 | 110.3° | 110.5° |
| C2 | N1 | C3 | 122.6° | 111.0° |
| N1 | C2 | H4 | 109.7° | 110.5° |
| N1 | C2 | H5 | 109.7° | 110.4° |
| N1 | C3 | N2 | 118.4° | 120.9° |
| N1 | C3 | C6 | 123.9° | 120.8° |
| N2 | C3 | C6 | 117.7° | 118.3° |
| C3 | N2 | C4 | 121.2° | 121.0° |
| C3 | C6 | C7 | 141.7° | 135.1° |
| C3 | C6 | C5 | 114.6° | 118.6° |
| C6 | C7 | C8 | 108.8° | 106.8° |
| C7 | C6 | C5 | 103.7° | 106.2° |
| C6 | C7 | H7 | 125.6° | 126.6° |
| C7 | C8 | N4 | 106.9° | 109.8° |
| C8 | C7 | H7 | 125.6° | 126.6° |
| C7 | C8 | H8 | 126.5° | 125.0° |
| N2 | C4 | N3 | 125.4° | 122.8° |
| N2 | C4 | H6 | 117.3° | 118.6° |
| C6 | C5 | N4 | 108.3° | 107.2° |
| C6 | C5 | N3 | 126.6° | 118.5° |
| C8 | N4 | C5 | 112.4° | 110.0° |
| N4 | C8 | H8 | 126.6° | 125.1° |
| C8 | N4 | H9 | 123.8° | 125.0° |
| C4 | N3 | C5 | 114.5° | 120.7° |
| N3 | C4 | H6 | 117.3° | 118.6° |
| N4 | C5 | N3 | 125.1° | 134.3° |
| C5 | N4 | H9 | 123.8° | 125.0° |
| H11 | C9 | H10 | 109.5° | 110.4° |
| H4 | C2 | H5 | 109.4° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C10 | C1 | C9 | 119.6° | 118.9° |
| F1 | C10 | C1 | H2 | 122.2° | 122.2° |
| F1 | C10 | C9 | H2 | 121.8° | 122.2° |
| F1 | C10 | C1 | O1 | 140.5° | 122.2° |
| F1 | C10 | C1 | C2 | 99.6° | 118.9° |
| F1 | C10 | C9 | N1 | 108.4° | 95.0° |
| F1 | C10 | C9 | H11 | 11.1° | 23.8° |
| F1 | C10 | C9 | H10 | 132.1° | 146.1° |
| F1 | C10 | C1 | H1 | 17.3° | 0.0° |
| C1 | C10 | C9 | H2 | 118.4° | 118.9° |
| C10 | C1 | O1 | C2 | 113.5° | 115.7° |
| C10 | C1 | O1 | H1 | 122.1° | 122.2° |
| C10 | C1 | C2 | H1 | 117.1° | 118.9° |
| C1 | C10 | C9 | N1 | 11.4° | 23.9° |
| C10 | C1 | C2 | N1 | 22.0° | 23.9° |
| C1 | C10 | C9 | H11 | 130.9° | 142.7° |
| C1 | C10 | C9 | H10 | 108.1° | 95.0° |
| C10 | C1 | C2 | H4 | 141.9° | 95.0° |
| C10 | C1 | C2 | H5 | 97.9° | 142.6° |
| C10 | C1 | O1 | H3 | 180.0° | 64.3° |
| C9 | C10 | C1 | O1 | 99.9° | 119.0° |
| C9 | C10 | C1 | C2 | 20.0° | 0.0° |
| C10 | C9 | N1 | H11 | 119.5° | 118.7° |
| C10 | C9 | N1 | H10 | 119.5° | 118.9° |
| C10 | C9 | N1 | C2 | 2.8° | 39.5° |
| C10 | C9 | N1 | C3 | 167.6° | 159.0° |
| C10 | C9 | H11 | H10 | 121.4° | 122.4° |
| C9 | C10 | C1 | H1 | 136.9° | 118.9° |
| O1 | C1 | C2 | H1 | 125.6° | 122.1° |
| O1 | C1 | C2 | N1 | 95.3° | 142.9° |
| O1 | C1 | C10 | H2 | 18.2° | 0.0° |
| O1 | C1 | C2 | H4 | 24.6° | 24.0° |
| O1 | C1 | C2 | H5 | 144.8° | 98.4° |
| C1 | C2 | N1 | C9 | 15.8° | 39.5° |
| C1 | C2 | N1 | H4 | 119.9° | 118.8° |
| C1 | C2 | N1 | H5 | 119.9° | 118.7° |
| C1 | C2 | N1 | C3 | 155.1° | 159.1° |
| C2 | C1 | C10 | H2 | 138.2° | 118.9° |
| C1 | C2 | H4 | H5 | 120.4° | 122.3° |
| C2 | C1 | O1 | H3 | 66.5° | 180.0° |
| C9 | N1 | C2 | C3 | 171.0° | 119.5° |
| C9 | N1 | C3 | N2 | 164.2° | 120.1° |
| C9 | N1 | C3 | C6 | 15.6° | 59.9° |
| N1 | C9 | H11 | H10 | 121.5° | 122.4° |
| N1 | C9 | C10 | H2 | 129.8° | 142.8° |
| C9 | N1 | C2 | H4 | 135.7° | 79.3° |
| C9 | N1 | C2 | H5 | 104.1° | 158.3° |
| C2 | N1 | C3 | N2 | 26.5° | 4.7° |
| C2 | N1 | C3 | C6 | 153.6° | 175.3° |
| C2 | N1 | C9 | H11 | 116.8° | 158.2° |
| C2 | N1 | C9 | H10 | 122.3° | 79.4° |
| N1 | C2 | C1 | H1 | 139.1° | 95.0° |
| N1 | C2 | H4 | H5 | 120.3° | 122.5° |
| N1 | C3 | N2 | C6 | 179.9° | 180.0° |
| N1 | C3 | C6 | C7 | 0.6° | 0.0° |
| N1 | C3 | N2 | C4 | 179.4° | 180.0° |
| N1 | C3 | C6 | C5 | 179.8° | 180.0° |
| C3 | N1 | C9 | H11 | 72.8° | 82.3° |
| C3 | N1 | C9 | H10 | 48.1° | 40.1° |
| C3 | N1 | C2 | H4 | 35.2° | 40.3° |
| C3 | N1 | C2 | H5 | 85.0° | 82.2° |
| N2 | C3 | C6 | C7 | 179.3° | 180.0° |
| N2 | C3 | C6 | C5 | 0.3° | 0.0° |
| C3 | N2 | C4 | N3 | 0.6° | 0.0° |
| C3 | N2 | C4 | H6 | 179.4° | 180.0° |
| C3 | C6 | C7 | C5 | 179.7° | 180.0° |
| C3 | C6 | C7 | C8 | 179.5° | 180.0° |
| C6 | C3 | N2 | C4 | 0.8° | 0.0° |
| C3 | C6 | C5 | N4 | 180.0° | 180.0° |
| C3 | C6 | C5 | N3 | 0.3° | 0.0° |
| C3 | C6 | C7 | H7 | 0.5° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | N4 | 0.5° | 0.0° |
| C7 | C6 | C5 | N4 | 0.2° | 0.0° |
| C7 | C6 | C5 | N3 | 179.9° | 180.0° |
| C6 | C7 | C8 | H8 | 179.5° | 180.0° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C7 | C8 | N4 | H8 | 180.0° | 180.0° |
| C7 | C8 | N4 | C5 | 0.7° | 0.0° |
| C7 | C8 | N4 | H9 | 179.3° | 179.9° |
| N2 | C4 | N3 | H6 | 180.0° | 180.0° |
| N2 | C4 | N3 | C5 | 0.1° | 0.0° |
| C6 | C5 | N4 | C8 | 0.6° | 0.0° |
| C6 | C5 | N3 | C4 | 0.5° | 0.0° |
| C6 | C5 | N4 | N3 | 179.7° | 180.0° |
| C5 | C6 | C7 | H7 | 179.8° | 180.0° |
| C6 | C5 | N4 | H9 | 179.4° | 180.0° |
| C8 | N4 | C5 | H9 | 180.0° | 179.9° |
| C8 | N4 | C5 | N3 | 179.7° | 180.0° |
| N4 | C8 | C7 | H7 | 179.5° | 180.0° |
| C4 | N3 | C5 | N4 | 179.8° | 180.0° |
| C5 | N4 | C8 | H8 | 179.3° | 180.0° |
| C5 | N3 | C4 | H6 | 180.0° | 179.9° |
| N3 | C5 | N4 | H9 | 0.3° | 0.0° |
| H11 | C9 | C10 | H2 | 110.7° | 98.4° |
| H10 | C9 | C10 | H2 | 10.3° | 23.9° |
| H1 | C1 | C10 | H2 | 105.0° | 122.2° |
| H1 | C1 | C2 | H4 | 101.0° | 146.1° |
| H1 | C1 | C2 | H5 | 19.2° | 23.7° |
| H1 | C1 | O1 | H3 | 57.9° | 57.9° |
| H7 | C7 | C8 | H8 | 0.5° | 0.1° |
| H8 | C8 | N4 | H9 | 0.7° | 0.0° |
