A1A8L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.60Å | |
| C2 | C3 | sing | 1.53Å | 1.59Å | |
| C4 | C3 | sing | 1.53Å | 1.58Å | |
| C4 | O2 | sing | 1.43Å | 1.43Å | |
| C1 | O1 | sing | 1.43Å | 1.47Å | |
| C3 | N1 | sing | 1.46Å | 1.47Å | |
| N1 | C5 | sing | 1.38Å | 1.43Å | |
| C9 | C8 | sing | 1.46Å | 1.45Å | Aromatic |
| C9 | C10 | doub | 1.34Å | 1.39Å | Aromatic |
| C5 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | N2 | sing | 1.33Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| N2 | C6 | doub | 1.32Å | 1.35Å | Aromatic |
| C10 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C7 | N4 | sing | 1.37Å | 1.40Å | Aromatic |
| C7 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | N3 | sing | 1.31Å | 1.35Å | Aromatic |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 109.1° | 109.5° |
| C2 | C1 | O1 | 111.4° | 109.5° |
| C2 | C1 | H4 | 109.0° | 109.5° |
| C2 | C1 | H3 | 109.0° | 109.5° |
| C1 | C2 | H5 | 109.6° | 109.5° |
| C1 | C2 | H6 | 109.6° | 109.5° |
| C2 | C3 | C4 | 111.6° | 109.5° |
| C2 | C3 | N1 | 110.1° | 109.5° |
| C2 | C3 | H1 | 107.3° | 109.5° |
| C3 | C2 | H5 | 109.6° | 109.4° |
| C3 | C2 | H6 | 109.6° | 109.5° |
| C3 | C4 | O2 | 106.9° | 109.5° |
| C4 | C3 | N1 | 111.5° | 109.4° |
| C4 | C3 | H1 | 107.4° | 109.5° |
| C3 | C4 | H8 | 110.1° | 109.5° |
| C3 | C4 | H7 | 110.1° | 109.5° |
| O2 | C4 | H8 | 110.1° | 109.4° |
| O2 | C4 | H7 | 110.1° | 109.4° |
| C4 | O2 | H9 | 109.5° | 114.0° |
| O1 | C1 | H4 | 109.0° | 109.4° |
| O1 | C1 | H3 | 109.0° | 109.5° |
| C1 | O1 | H2 | 109.5° | 114.0° |
| C3 | N1 | C5 | 122.4° | 120.0° |
| N1 | C3 | H1 | 108.8° | 109.4° |
| C3 | N1 | H10 | 106.2° | 120.0° |
| N1 | C5 | C8 | 121.4° | 120.9° |
| N1 | C5 | N2 | 116.8° | 120.8° |
| C5 | N1 | H10 | 106.1° | 120.0° |
| C8 | C9 | C10 | 107.4° | 106.8° |
| C9 | C8 | C5 | 141.3° | 135.1° |
| C9 | C8 | C7 | 106.0° | 106.2° |
| C8 | C9 | H12 | 126.3° | 126.6° |
| C9 | C10 | N4 | 109.2° | 109.8° |
| C10 | C9 | H12 | 126.3° | 126.6° |
| C9 | C10 | H13 | 125.4° | 125.1° |
| C8 | C5 | N2 | 121.8° | 118.3° |
| C5 | C8 | C7 | 112.7° | 118.7° |
| C5 | N2 | C6 | 118.4° | 121.0° |
| C8 | C7 | N4 | 108.5° | 107.1° |
| C8 | C7 | N3 | 127.7° | 118.6° |
| N2 | C6 | N3 | 126.5° | 122.8° |
| N2 | C6 | H11 | 116.8° | 118.6° |
| C10 | N4 | C7 | 109.0° | 110.0° |
| N4 | C10 | H13 | 125.4° | 125.1° |
| C10 | N4 | H14 | 125.5° | 125.0° |
| N4 | C7 | N3 | 123.8° | 134.3° |
| C7 | N4 | H14 | 125.5° | 125.0° |
| C7 | N3 | C6 | 112.9° | 120.7° |
| N3 | C6 | H11 | 116.7° | 118.6° |
| H4 | C1 | H3 | 109.4° | 109.5° |
| H5 | C2 | H6 | 109.4° | 109.5° |
| H8 | C4 | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H5 | 120.0° | 120.0° |
| C1 | C2 | C3 | H6 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 164.4° | 175.0° |
| C2 | C1 | O1 | H4 | 120.3° | 120.0° |
| C2 | C1 | O1 | H3 | 120.3° | 120.0° |
| C1 | C2 | C3 | N1 | 71.2° | 65.0° |
| C1 | C2 | C3 | H1 | 47.0° | 54.9° |
| C2 | C1 | H4 | H3 | 119.1° | 120.0° |
| C1 | C2 | H5 | H6 | 120.1° | 120.0° |
| C2 | C1 | O1 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | N1 | 123.6° | 120.0° |
| C2 | C3 | C4 | H1 | 117.3° | 120.1° |
| C2 | C3 | C4 | O2 | 175.5° | 55.0° |
| C3 | C2 | C1 | O1 | 53.5° | 180.0° |
| C2 | C3 | N1 | H1 | 117.3° | 120.0° |
| C2 | C3 | N1 | C5 | 111.3° | 155.0° |
| C3 | C2 | C1 | H4 | 173.8° | 60.0° |
| C3 | C2 | C1 | H3 | 66.8° | 60.0° |
| C3 | C2 | H5 | H6 | 120.2° | 120.0° |
| C2 | C3 | C4 | H8 | 64.9° | 65.0° |
| C2 | C3 | C4 | H7 | 55.9° | 175.0° |
| C2 | C3 | N1 | H10 | 10.5° | 25.0° |
| C3 | C4 | O2 | H8 | 119.6° | 120.0° |
| C3 | C4 | O2 | H7 | 119.6° | 120.1° |
| C4 | C3 | N1 | H1 | 118.2° | 119.9° |
| C4 | C3 | N1 | C5 | 124.3° | 85.0° |
| C4 | C3 | C2 | H5 | 75.7° | 55.0° |
| C4 | C3 | C2 | H6 | 44.4° | 65.0° |
| C3 | C4 | H8 | H7 | 121.2° | 120.1° |
| C4 | C3 | N1 | H10 | 114.0° | 95.0° |
| C3 | C4 | O2 | H9 | 180.0° | 180.0° |
| O2 | C4 | C3 | N1 | 60.9° | 65.0° |
| O2 | C4 | C3 | H1 | 58.2° | 175.0° |
| O2 | C4 | H8 | H7 | 121.2° | 120.0° |
| O1 | C1 | H4 | H3 | 119.1° | 120.0° |
| O1 | C1 | C2 | H5 | 173.5° | 60.1° |
| O1 | C1 | C2 | H6 | 66.5° | 59.9° |
| C3 | N1 | C5 | H10 | 121.8° | 180.0° |
| C3 | N1 | C5 | C8 | 175.6° | 179.9° |
| C3 | N1 | C5 | N2 | 5.9° | 0.0° |
| N1 | C3 | C2 | H5 | 48.7° | 175.0° |
| N1 | C3 | C2 | H6 | 168.8° | 55.0° |
| N1 | C3 | C4 | H8 | 58.7° | 175.0° |
| N1 | C3 | C4 | H7 | 179.5° | 55.0° |
| N1 | C5 | C8 | C9 | 1.1° | 0.1° |
| N1 | C5 | C8 | N2 | 178.5° | 179.9° |
| N1 | C5 | C8 | C7 | 179.4° | 180.0° |
| N1 | C5 | N2 | C6 | 179.9° | 180.0° |
| C5 | N1 | C3 | H1 | 6.0° | 35.0° |
| C8 | C9 | C10 | H12 | 180.0° | 180.0° |
| C9 | C8 | C5 | C7 | 178.3° | 180.0° |
| C9 | C8 | C5 | N2 | 179.6° | 180.0° |
| C8 | C9 | C10 | N4 | 0.8° | 0.0° |
| C9 | C8 | C7 | N4 | 0.9° | 0.0° |
| C9 | C8 | C7 | N3 | 180.0° | 180.0° |
| C8 | C9 | C10 | H13 | 179.2° | 180.0° |
| C10 | C9 | C8 | C5 | 178.2° | 179.9° |
| C10 | C9 | C8 | C7 | 0.1° | 0.0° |
| C9 | C10 | N4 | H13 | 180.0° | 180.0° |
| C9 | C10 | N4 | C7 | 1.3° | 0.0° |
| C9 | C10 | N4 | H14 | 178.7° | 180.0° |
| C8 | C5 | N2 | C6 | 1.4° | 0.0° |
| C5 | C8 | C7 | N4 | 178.0° | 179.9° |
| C5 | C8 | C7 | N3 | 1.1° | 0.0° |
| C5 | C8 | C9 | H12 | 1.8° | 0.0° |
| C8 | C5 | N1 | H10 | 62.6° | 0.0° |
| N2 | C5 | C8 | C7 | 2.1° | 0.0° |
| C5 | N2 | C6 | N3 | 0.7° | 0.0° |
| C5 | N2 | C6 | H11 | 179.3° | 179.9° |
| N2 | C5 | N1 | H10 | 115.9° | 180.0° |
| C8 | C7 | N4 | C10 | 1.4° | 0.0° |
| C8 | C7 | N4 | N3 | 179.1° | 179.9° |
| C8 | C7 | N3 | C6 | 0.7° | 0.0° |
| C7 | C8 | C9 | H12 | 179.9° | 180.0° |
| C8 | C7 | N4 | H14 | 178.6° | 180.0° |
| N2 | C6 | N3 | C7 | 1.7° | 0.0° |
| N2 | C6 | N3 | H11 | 180.0° | 179.9° |
| C10 | N4 | C7 | H14 | 180.0° | 180.0° |
| C10 | N4 | C7 | N3 | 179.5° | 180.0° |
| N4 | C10 | C9 | H12 | 179.2° | 180.0° |
| N4 | C7 | N3 | C6 | 179.6° | 179.9° |
| C7 | N4 | C10 | H13 | 178.6° | 179.9° |
| C7 | N3 | C6 | H11 | 178.3° | 180.0° |
| N3 | C7 | N4 | H14 | 0.5° | 0.1° |
| H1 | C3 | C2 | H5 | 167.0° | 65.0° |
| H1 | C3 | C2 | H6 | 72.9° | 175.0° |
| H1 | C3 | C4 | H8 | 177.8° | 55.1° |
| H1 | C3 | C4 | H7 | 61.4° | 65.0° |
| H1 | C3 | N1 | H10 | 127.8° | 145.0° |
| H12 | C9 | C10 | H13 | 0.8° | 0.1° |
| H4 | C1 | C2 | H5 | 66.2° | 180.0° |
| H4 | C1 | C2 | H6 | 53.8° | 60.0° |
| H4 | C1 | O1 | H2 | 59.7° | 60.0° |
| H3 | C1 | C2 | H5 | 53.2° | 60.0° |
| H3 | C1 | C2 | H6 | 173.2° | 180.0° |
| H3 | C1 | O1 | H2 | 59.7° | 60.0° |
| H13 | C10 | N4 | H14 | 1.4° | 0.0° |
| H8 | C4 | O2 | H9 | 60.3° | 60.0° |
| H7 | C4 | O2 | H9 | 60.4° | 60.0° |
