A1A84
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C5 | sing | 1.43Å | 1.40Å | |
| C3 | C2 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C2 | C1 | trip | 1.17Å | 1.19Å | |
| C5 | C4 | sing | 1.53Å | 1.59Å | |
| C4 | N1 | sing | 1.46Å | 1.50Å | |
| N1 | C6 | sing | 1.38Å | 1.40Å | |
| C6 | N2 | doub | 1.33Å | 1.38Å | Aromatic |
| C6 | C9 | sing | 1.40Å | 1.44Å | Aromatic |
| C10 | C9 | sing | 1.46Å | 1.45Å | Aromatic |
| C10 | C11 | doub | 1.34Å | 1.38Å | Aromatic |
| N2 | C7 | sing | 1.32Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.41Å | 1.42Å | Aromatic |
| C11 | N4 | sing | 1.37Å | 1.40Å | Aromatic |
| C7 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N3 | sing | 1.33Å | 1.38Å | Aromatic |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.05Å | 1.06Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C5 | C4 | 109.3° | 109.5° |
| O1 | C5 | H5 | 109.5° | 109.5° |
| O1 | C5 | H6 | 109.5° | 109.5° |
| C5 | O1 | H7 | 109.5° | 114.0° |
| C2 | C3 | C4 | 114.9° | 109.5° |
| C3 | C2 | C1 | 179.5° | 179.9° |
| C2 | C3 | H4 | 108.1° | 109.5° |
| C2 | C3 | H3 | 108.1° | 109.5° |
| C3 | C4 | C5 | 109.2° | 109.4° |
| C3 | C4 | N1 | 112.4° | 109.5° |
| C4 | C3 | H4 | 108.1° | 109.5° |
| C4 | C3 | H3 | 108.1° | 109.5° |
| C3 | C4 | H1 | 108.1° | 109.5° |
| C2 | C1 | H2 | 180.0° | 179.9° |
| C5 | C4 | N1 | 110.1° | 109.5° |
| C5 | C4 | H1 | 107.9° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.4° |
| C4 | C5 | H6 | 109.5° | 109.5° |
| C4 | N1 | C6 | 123.9° | 120.0° |
| N1 | C4 | H1 | 109.0° | 109.5° |
| C4 | N1 | H8 | 105.8° | 120.0° |
| N1 | C6 | N2 | 117.9° | 120.8° |
| N1 | C6 | C9 | 123.6° | 120.9° |
| C6 | N1 | H8 | 105.8° | 120.0° |
| N2 | C6 | C9 | 118.5° | 118.3° |
| C6 | N2 | C7 | 120.2° | 121.0° |
| C6 | C9 | C10 | 139.6° | 135.1° |
| C6 | C9 | C8 | 114.6° | 118.7° |
| C9 | C10 | C11 | 108.7° | 106.8° |
| C10 | C9 | C8 | 105.8° | 106.2° |
| C9 | C10 | H10 | 125.7° | 126.6° |
| C10 | C11 | N4 | 107.5° | 109.8° |
| C11 | C10 | H10 | 125.6° | 126.6° |
| C10 | C11 | H11 | 126.3° | 125.1° |
| N2 | C7 | N3 | 126.7° | 122.7° |
| N2 | C7 | H9 | 116.7° | 118.6° |
| C9 | C8 | N4 | 107.8° | 107.1° |
| C9 | C8 | N3 | 127.7° | 118.6° |
| C11 | N4 | C8 | 110.2° | 110.0° |
| N4 | C11 | H11 | 126.3° | 125.1° |
| C11 | N4 | H12 | 124.9° | 125.0° |
| C7 | N3 | C8 | 112.3° | 120.7° |
| N3 | C7 | H9 | 116.6° | 118.7° |
| N4 | C8 | N3 | 124.5° | 134.3° |
| C8 | N4 | H12 | 124.9° | 124.9° |
| H4 | C3 | H3 | 109.4° | 109.4° |
| H5 | C5 | H6 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C5 | C4 | C3 | 64.2° | 55.0° |
| O1 | C5 | C4 | H5 | 120.0° | 120.0° |
| O1 | C5 | C4 | H6 | 120.0° | 120.1° |
| O1 | C5 | C4 | N1 | 171.9° | 65.0° |
| O1 | C5 | C4 | H1 | 53.1° | 175.0° |
| O1 | C5 | H5 | H6 | 120.1° | 120.1° |
| C2 | C3 | C4 | H4 | 120.8° | 120.0° |
| C2 | C3 | C4 | H3 | 120.8° | 120.0° |
| C2 | C3 | C4 | C5 | 158.1° | 175.0° |
| C2 | C3 | C4 | N1 | 35.6° | 65.0° |
| C2 | C3 | H4 | H3 | 117.5° | 120.0° |
| C3 | C2 | C1 | H2 | 163.8° | 161.5° |
| C2 | C3 | C4 | H1 | 84.7° | 55.0° |
| C4 | C3 | C2 | C1 | 127.0° | 175.4° |
| C3 | C4 | C5 | N1 | 123.9° | 120.0° |
| C3 | C4 | C5 | H1 | 117.2° | 120.0° |
| C3 | C4 | N1 | H1 | 119.8° | 120.0° |
| C3 | C4 | N1 | C6 | 130.9° | 155.0° |
| C4 | C3 | H4 | H3 | 117.5° | 120.0° |
| C3 | C4 | C5 | H5 | 175.8° | 175.0° |
| C3 | C4 | C5 | H6 | 55.8° | 65.1° |
| C3 | C4 | N1 | H8 | 107.1° | 25.0° |
| C1 | C2 | C3 | H4 | 112.2° | 64.5° |
| C1 | C2 | C3 | H3 | 6.1° | 55.4° |
| C5 | C4 | N1 | H1 | 118.2° | 120.1° |
| C5 | C4 | N1 | C6 | 107.1° | 85.0° |
| C5 | C4 | C3 | H4 | 81.1° | 55.0° |
| C5 | C4 | C3 | H3 | 37.3° | 65.0° |
| C4 | C5 | H5 | H6 | 120.0° | 119.9° |
| C5 | C4 | N1 | H8 | 14.9° | 95.0° |
| C4 | C5 | O1 | H7 | 180.0° | 180.0° |
| C4 | N1 | C6 | H8 | 122.0° | 180.0° |
| C4 | N1 | C6 | N2 | 6.5° | 0.0° |
| C4 | N1 | C6 | C9 | 173.2° | 180.0° |
| N1 | C4 | C3 | H4 | 156.4° | 175.0° |
| N1 | C4 | C3 | H3 | 85.2° | 55.0° |
| N1 | C4 | C5 | H5 | 51.9° | 55.0° |
| N1 | C4 | C5 | H6 | 68.1° | 175.0° |
| N1 | C6 | N2 | C9 | 179.7° | 179.9° |
| N1 | C6 | C9 | C10 | 0.9° | 0.0° |
| N1 | C6 | N2 | C7 | 179.7° | 180.0° |
| N1 | C6 | C9 | C8 | 179.7° | 179.9° |
| C6 | N1 | C4 | H1 | 11.1° | 35.0° |
| N2 | C6 | C9 | C10 | 179.4° | 180.0° |
| N2 | C6 | C9 | C8 | 0.0° | 0.1° |
| C6 | N2 | C7 | N3 | 0.1° | 0.1° |
| C6 | N2 | C7 | H9 | 179.9° | 179.9° |
| N2 | C6 | N1 | H8 | 115.5° | 179.9° |
| C6 | C9 | C10 | C8 | 179.4° | 179.9° |
| C6 | C9 | C10 | C11 | 179.9° | 180.0° |
| C9 | C6 | N2 | C7 | 0.0° | 0.1° |
| C6 | C9 | C8 | N4 | 179.6° | 180.0° |
| C6 | C9 | C8 | N3 | 0.3° | 0.2° |
| C6 | C9 | C10 | H10 | 0.1° | 0.0° |
| C9 | C6 | N1 | H8 | 64.8° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | N4 | 0.7° | 0.0° |
| C10 | C9 | C8 | N4 | 0.0° | 0.1° |
| C10 | C9 | C8 | N3 | 179.9° | 179.9° |
| C9 | C10 | C11 | H11 | 179.3° | 180.0° |
| C11 | C10 | C9 | C8 | 0.4° | 0.0° |
| C10 | C11 | N4 | H11 | 180.0° | 180.0° |
| C10 | C11 | N4 | C8 | 0.7° | 0.0° |
| C10 | C11 | N4 | H12 | 179.4° | 180.0° |
| N2 | C7 | N3 | H9 | 180.0° | 180.0° |
| N2 | C7 | N3 | C8 | 0.3° | 0.1° |
| C9 | C8 | N4 | C11 | 0.4° | 0.1° |
| C9 | C8 | N3 | C7 | 0.4° | 0.2° |
| C9 | C8 | N4 | N3 | 179.9° | 179.8° |
| C8 | C9 | C10 | H10 | 179.6° | 180.0° |
| C9 | C8 | N4 | H12 | 179.6° | 180.0° |
| C11 | N4 | C8 | H12 | 180.0° | 180.0° |
| C11 | N4 | C8 | N3 | 179.7° | 179.9° |
| N4 | C11 | C10 | H10 | 179.3° | 180.0° |
| C7 | N3 | C8 | N4 | 179.5° | 180.0° |
| C8 | N4 | C11 | H11 | 179.3° | 180.0° |
| C8 | N3 | C7 | H9 | 179.7° | 179.9° |
| N3 | C8 | N4 | H12 | 0.3° | 0.2° |
| H4 | C3 | C4 | H1 | 36.1° | 65.0° |
| H3 | C3 | C4 | H1 | 154.4° | 175.0° |
| H10 | C10 | C11 | H11 | 0.7° | 0.0° |
| H11 | C11 | N4 | H12 | 0.7° | 0.0° |
| H1 | C4 | C5 | H5 | 66.9° | 65.0° |
| H1 | C4 | C5 | H6 | 173.1° | 54.9° |
| H1 | C4 | N1 | H8 | 133.1° | 145.0° |
| H5 | C5 | O1 | H7 | 60.0° | 60.0° |
| H6 | C5 | O1 | H7 | 60.0° | 60.0° |
