A1A56
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.35Å | 1.40Å | |
| O2 | C2 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.54Å | 1.55Å | |
| C2 | C11 | sing | 1.54Å | 1.56Å | |
| C3 | C4 | sing | 1.54Å | 1.56Å | |
| C11 | N2 | sing | 1.49Å | 1.48Å | |
| C4 | N2 | sing | 1.49Å | 1.48Å | |
| N2 | C5 | sing | 1.38Å | 1.41Å | |
| C5 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
| C5 | C8 | sing | 1.40Å | 1.45Å | Aromatic |
| C9 | C8 | sing | 1.46Å | 1.46Å | Aromatic |
| C9 | C10 | doub | 1.34Å | 1.39Å | Aromatic |
| N3 | C6 | sing | 1.32Å | 1.37Å | Aromatic |
| C8 | C7 | doub | 1.41Å | 1.43Å | Aromatic |
| C10 | N5 | sing | 1.37Å | 1.38Å | Aromatic |
| C6 | N4 | doub | 1.32Å | 1.32Å | Aromatic |
| C7 | N5 | sing | 1.37Å | 1.36Å | Aromatic |
| C7 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N5 | H11 | sing | 0.97Å | 1.00Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 121.1° | 120.0° |
| N1 | C1 | O1 | 121.8° | 120.0° |
| C1 | N1 | H2 | 120.0° | 120.0° |
| C1 | N1 | H1 | 120.0° | 120.0° |
| O2 | C2 | C1 | 111.1° | 110.3° |
| O2 | C2 | C3 | 113.4° | 110.4° |
| O2 | C2 | C11 | 108.8° | 110.4° |
| C2 | O2 | H3 | 109.5° | 114.0° |
| C2 | C1 | O1 | 117.1° | 120.0° |
| C1 | C2 | C3 | 112.3° | 110.3° |
| C1 | C2 | C11 | 109.0° | 110.3° |
| C3 | C2 | C11 | 101.7° | 105.1° |
| C2 | C3 | C4 | 105.3° | 105.1° |
| C2 | C3 | H4 | 110.5° | 110.3° |
| C2 | C3 | H5 | 110.5° | 110.4° |
| C2 | C11 | N2 | 108.3° | 104.6° |
| C2 | C11 | H13 | 109.8° | 110.4° |
| C2 | C11 | H12 | 109.7° | 110.5° |
| C3 | C4 | N2 | 106.4° | 104.6° |
| C4 | C3 | H4 | 110.5° | 110.3° |
| C4 | C3 | H5 | 110.5° | 110.3° |
| C3 | C4 | H7 | 110.2° | 110.4° |
| C3 | C4 | H6 | 110.2° | 110.4° |
| C11 | N2 | C4 | 108.8° | 104.2° |
| C11 | N2 | C5 | 125.0° | 111.0° |
| N2 | C11 | H13 | 109.7° | 110.4° |
| N2 | C11 | H12 | 109.7° | 110.4° |
| C4 | N2 | C5 | 125.9° | 111.0° |
| N2 | C4 | H7 | 110.2° | 110.4° |
| N2 | C4 | H6 | 110.2° | 110.4° |
| N2 | C5 | N3 | 117.8° | 120.8° |
| N2 | C5 | C8 | 123.4° | 120.8° |
| N3 | C5 | C8 | 118.8° | 118.4° |
| C5 | N3 | C6 | 120.4° | 121.0° |
| C5 | C8 | C9 | 142.5° | 135.2° |
| C5 | C8 | C7 | 113.8° | 118.6° |
| C8 | C9 | C10 | 108.7° | 106.9° |
| C9 | C8 | C7 | 103.7° | 106.2° |
| C8 | C9 | H9 | 125.6° | 126.5° |
| C9 | C10 | N5 | 107.5° | 109.8° |
| C10 | C9 | H9 | 125.6° | 126.6° |
| C9 | C10 | H10 | 126.3° | 125.1° |
| N3 | C6 | N4 | 125.6° | 122.8° |
| N3 | C6 | H8 | 117.2° | 118.6° |
| C8 | C7 | N5 | 109.4° | 107.1° |
| C8 | C7 | N4 | 126.8° | 118.5° |
| C10 | N5 | C7 | 110.7° | 110.1° |
| N5 | C10 | H10 | 126.3° | 125.1° |
| C10 | N5 | H11 | 124.7° | 125.0° |
| C6 | N4 | C7 | 114.6° | 120.7° |
| N4 | C6 | H8 | 117.2° | 118.6° |
| N5 | C7 | N4 | 123.9° | 134.3° |
| C7 | N5 | H11 | 124.6° | 124.9° |
| H4 | C3 | H5 | 109.4° | 110.3° |
| H13 | C11 | H12 | 109.5° | 110.4° |
| H7 | C4 | H6 | 109.5° | 110.5° |
| H2 | N1 | H1 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | O2 | 4.6° | 35.7° |
| N1 | C1 | C2 | O1 | 179.6° | 179.9° |
| N1 | C1 | C2 | C3 | 132.8° | 86.5° |
| N1 | C1 | C2 | C11 | 115.2° | 157.9° |
| C1 | N1 | H2 | H1 | 180.0° | 180.0° |
| O2 | C2 | C1 | C3 | 128.2° | 122.2° |
| O2 | C2 | C1 | C11 | 119.9° | 122.2° |
| O2 | C2 | C1 | O1 | 175.8° | 144.3° |
| O2 | C2 | C3 | C11 | 116.7° | 119.0° |
| O2 | C2 | C3 | C4 | 146.8° | 119.0° |
| O2 | C2 | C11 | N2 | 146.9° | 95.1° |
| O2 | C2 | C3 | H4 | 93.8° | 122.1° |
| O2 | C2 | C3 | H5 | 27.5° | 0.0° |
| O2 | C2 | C11 | H13 | 27.1° | 146.1° |
| O2 | C2 | C11 | H12 | 93.3° | 23.7° |
| C1 | C2 | C3 | C11 | 116.4° | 118.8° |
| C1 | C2 | C3 | C4 | 86.2° | 118.9° |
| C1 | C2 | C11 | N2 | 91.8° | 142.7° |
| C1 | C2 | C3 | H4 | 33.1° | 0.0° |
| C1 | C2 | C3 | H5 | 154.4° | 122.2° |
| C1 | C2 | C11 | H13 | 148.4° | 23.9° |
| C1 | C2 | C11 | H12 | 28.0° | 98.5° |
| C2 | C1 | N1 | H2 | 179.5° | 0.0° |
| C2 | C1 | N1 | H1 | 0.5° | 180.0° |
| C1 | C2 | O2 | H3 | 180.0° | 59.3° |
| O1 | C1 | C2 | C3 | 47.6° | 93.5° |
| O1 | C1 | C2 | C11 | 64.3° | 22.0° |
| O1 | C1 | N1 | H2 | 0.0° | 180.0° |
| O1 | C1 | N1 | H1 | 180.0° | 0.0° |
| C2 | C3 | C4 | H4 | 119.4° | 118.9° |
| C2 | C3 | C4 | H5 | 119.4° | 119.0° |
| C3 | C2 | C11 | N2 | 26.9° | 23.9° |
| C2 | C3 | C4 | N2 | 23.9° | 23.8° |
| C2 | C3 | H4 | H5 | 121.9° | 122.2° |
| C3 | C2 | C11 | H13 | 92.9° | 94.9° |
| C3 | C2 | C11 | H12 | 146.7° | 142.7° |
| C2 | C3 | C4 | H7 | 95.6° | 142.6° |
| C2 | C3 | C4 | H6 | 143.4° | 94.9° |
| C3 | C2 | O2 | H3 | 52.5° | 62.8° |
| C11 | C2 | C3 | C4 | 30.2° | 0.0° |
| C2 | C11 | N2 | H13 | 119.8° | 118.8° |
| C2 | C11 | N2 | H12 | 119.8° | 118.9° |
| C2 | C11 | N2 | C4 | 12.9° | 39.5° |
| C2 | C11 | N2 | C5 | 162.2° | 159.0° |
| C11 | C2 | C3 | H4 | 149.5° | 118.9° |
| C11 | C2 | C3 | H5 | 89.2° | 119.0° |
| C2 | C11 | H13 | H12 | 120.5° | 122.5° |
| C11 | C2 | O2 | H3 | 60.0° | 178.5° |
| C3 | C4 | N2 | C11 | 6.8° | 39.5° |
| C3 | C4 | N2 | H7 | 119.5° | 118.8° |
| C3 | C4 | N2 | H6 | 119.5° | 118.8° |
| C3 | C4 | N2 | C5 | 178.1° | 159.0° |
| C4 | C3 | H4 | H5 | 121.9° | 122.1° |
| C3 | C4 | H7 | H6 | 121.4° | 122.4° |
| C11 | N2 | C4 | C5 | 175.0° | 119.6° |
| C11 | N2 | C5 | N3 | 173.1° | 0.1° |
| C11 | N2 | C5 | C8 | 8.3° | 180.0° |
| N2 | C11 | H13 | H12 | 120.5° | 122.3° |
| C11 | N2 | C4 | H7 | 112.7° | 158.2° |
| C11 | N2 | C4 | H6 | 126.4° | 79.3° |
| C4 | N2 | C5 | N3 | 1.1° | 115.4° |
| C4 | N2 | C5 | C8 | 177.4° | 64.6° |
| N2 | C4 | C3 | H4 | 143.2° | 142.8° |
| N2 | C4 | C3 | H5 | 95.5° | 95.2° |
| C4 | N2 | C11 | H13 | 107.0° | 79.3° |
| C4 | N2 | C11 | H12 | 132.7° | 158.4° |
| N2 | C4 | H7 | H6 | 121.4° | 122.4° |
| N2 | C5 | N3 | C8 | 178.6° | 179.9° |
| N2 | C5 | C8 | C9 | 0.1° | 0.1° |
| N2 | C5 | N3 | C6 | 179.5° | 179.9° |
| N2 | C5 | C8 | C7 | 179.4° | 179.8° |
| C5 | N2 | C11 | H13 | 77.9° | 40.2° |
| C5 | N2 | C11 | H12 | 42.4° | 82.1° |
| C5 | N2 | C4 | H7 | 62.4° | 82.2° |
| C5 | N2 | C4 | H6 | 58.6° | 40.3° |
| N3 | C5 | C8 | C9 | 178.4° | 180.0° |
| N3 | C5 | C8 | C7 | 0.8° | 0.3° |
| C5 | N3 | C6 | N4 | 1.8° | 0.0° |
| C5 | N3 | C6 | H8 | 178.2° | 179.7° |
| C5 | C8 | C9 | C7 | 179.3° | 179.7° |
| C5 | C8 | C9 | C10 | 179.8° | 179.3° |
| C8 | C5 | N3 | C6 | 1.8° | 0.0° |
| C5 | C8 | C7 | N5 | 179.7° | 179.8° |
| C5 | C8 | C7 | N4 | 0.4° | 0.6° |
| C5 | C8 | C9 | H9 | 0.2° | 0.1° |
| C8 | C9 | C10 | H9 | 180.0° | 179.4° |
| C8 | C9 | C10 | N5 | 0.1° | 0.6° |
| C9 | C8 | C7 | N5 | 0.7° | 0.1° |
| C9 | C8 | C7 | N4 | 179.9° | 179.7° |
| C8 | C9 | C10 | H10 | 179.9° | 179.9° |
| C10 | C9 | C8 | C7 | 0.5° | 0.3° |
| C9 | C10 | N5 | H10 | 180.0° | 179.4° |
| C9 | C10 | N5 | C7 | 0.3° | 0.7° |
| C9 | C10 | N5 | H11 | 179.7° | 180.0° |
| N3 | C6 | N4 | H8 | 180.0° | 179.7° |
| N3 | C6 | N4 | C7 | 0.5° | 0.3° |
| C8 | C7 | N5 | C10 | 0.7° | 0.5° |
| C8 | C7 | N4 | C6 | 0.6° | 0.6° |
| C8 | C7 | N5 | N4 | 179.4° | 179.5° |
| C7 | C8 | C9 | H9 | 179.5° | 179.8° |
| C8 | C7 | N5 | H11 | 179.3° | 179.8° |
| C10 | N5 | C7 | H11 | 180.0° | 179.3° |
| C10 | N5 | C7 | N4 | 179.9° | 180.0° |
| N5 | C10 | C9 | H9 | 179.8° | 179.9° |
| C6 | N4 | C7 | N5 | 179.8° | 180.0° |
| C7 | N5 | C10 | H10 | 179.6° | 179.9° |
| C7 | N4 | C6 | H8 | 179.5° | 180.0° |
| N4 | C7 | N5 | H11 | 0.0° | 0.8° |
| H4 | C3 | C4 | H7 | 23.7° | 98.5° |
| H4 | C3 | C4 | H6 | 97.2° | 24.0° |
| H5 | C3 | C4 | H7 | 145.0° | 23.6° |
| H5 | C3 | C4 | H6 | 24.0° | 146.1° |
| H9 | C9 | C10 | H10 | 0.1° | 0.5° |
| H10 | C10 | N5 | H11 | 0.4° | 0.6° |






