A1A92
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.55Å | 1.52Å | |
| C4 | C5 | sing | 1.55Å | 1.51Å | |
| O1 | C1 | sing | 1.43Å | 1.39Å | |
| C3 | C2 | sing | 1.54Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | N1 | sing | 1.48Å | 1.48Å | |
| C5 | N1 | sing | 1.48Å | 1.47Å | |
| N1 | C6 | sing | 1.38Å | 1.37Å | |
| C6 | N2 | doub | 1.33Å | 1.38Å | Aromatic |
| C6 | C9 | sing | 1.40Å | 1.43Å | Aromatic |
| C10 | C9 | sing | 1.46Å | 1.44Å | Aromatic |
| C10 | C11 | doub | 1.34Å | 1.38Å | Aromatic |
| N2 | C7 | sing | 1.32Å | 1.37Å | Aromatic |
| C9 | C8 | doub | 1.41Å | 1.38Å | Aromatic |
| C11 | N4 | sing | 1.37Å | 1.43Å | Aromatic |
| C7 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| C8 | N3 | sing | 1.33Å | 1.37Å | Aromatic |
| C8 | N4 | sing | 1.37Å | 1.42Å | Aromatic |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 105.5° | 102.9° |
| C4 | C3 | C2 | 105.5° | 105.1° |
| C4 | C3 | H5 | 110.5° | 110.3° |
| C4 | C3 | H6 | 110.5° | 110.4° |
| C3 | C4 | H7 | 110.5° | 110.8° |
| C3 | C4 | H8 | 110.4° | 110.7° |
| C4 | C5 | N1 | 108.1° | 103.2° |
| C5 | C4 | H7 | 110.4° | 110.7° |
| C5 | C4 | H8 | 110.5° | 110.7° |
| C4 | C5 | H10 | 109.8° | 110.7° |
| C4 | C5 | H9 | 109.8° | 110.6° |
| O1 | C1 | C2 | 108.6° | 109.5° |
| O1 | C1 | H3 | 109.7° | 109.5° |
| O1 | C1 | H4 | 109.7° | 109.5° |
| C1 | O1 | H2 | 109.5° | 114.0° |
| C3 | C2 | C1 | 109.1° | 110.0° |
| C3 | C2 | N1 | 106.4° | 107.1° |
| C2 | C3 | H5 | 110.5° | 110.3° |
| C2 | C3 | H6 | 110.4° | 110.3° |
| C3 | C2 | H1 | 110.6° | 109.9° |
| C1 | C2 | N1 | 108.7° | 109.9° |
| C2 | C1 | H3 | 109.7° | 109.5° |
| C2 | C1 | H4 | 109.7° | 109.4° |
| C1 | C2 | H1 | 110.4° | 109.9° |
| C2 | N1 | C5 | 109.2° | 105.8° |
| C2 | N1 | C6 | 124.7° | 111.0° |
| N1 | C2 | H1 | 111.4° | 110.0° |
| C5 | N1 | C6 | 122.8° | 111.0° |
| N1 | C5 | H10 | 109.8° | 110.7° |
| N1 | C5 | H9 | 109.8° | 110.6° |
| N1 | C6 | N2 | 117.4° | 120.9° |
| N1 | C6 | C9 | 124.0° | 120.8° |
| N2 | C6 | C9 | 118.6° | 118.3° |
| C6 | N2 | C7 | 118.4° | 121.0° |
| C6 | C9 | C10 | 140.0° | 135.1° |
| C6 | C9 | C8 | 114.8° | 118.7° |
| C9 | C10 | C11 | 109.4° | 106.8° |
| C10 | C9 | C8 | 105.2° | 106.2° |
| C9 | C10 | H12 | 125.3° | 126.6° |
| C10 | C11 | N4 | 108.8° | 109.8° |
| C11 | C10 | H12 | 125.3° | 126.6° |
| C10 | C11 | H13 | 125.6° | 125.1° |
| N2 | C7 | N3 | 128.7° | 122.8° |
| N2 | C7 | H11 | 115.6° | 118.6° |
| C9 | C8 | N3 | 129.4° | 118.5° |
| C9 | C8 | N4 | 111.8° | 107.2° |
| C11 | N4 | C8 | 104.8° | 110.0° |
| N4 | C11 | H13 | 125.6° | 125.1° |
| C11 | N4 | H14 | 127.6° | 125.0° |
| C7 | N3 | C8 | 110.0° | 120.7° |
| N3 | C7 | H11 | 115.6° | 118.6° |
| N3 | C8 | N4 | 118.8° | 134.3° |
| C8 | N4 | H14 | 127.6° | 125.0° |
| H5 | C3 | H6 | 109.5° | 110.2° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 110.8° |
| H10 | C5 | H9 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H7 | 119.4° | 118.4° |
| C3 | C4 | C5 | H8 | 119.3° | 118.3° |
| C4 | C3 | C2 | H5 | 119.4° | 118.9° |
| C4 | C3 | C2 | H6 | 119.4° | 119.1° |
| C4 | C3 | C2 | C1 | 96.1° | 120.6° |
| C4 | C3 | C2 | N1 | 21.1° | 1.2° |
| C3 | C4 | C5 | N1 | 17.0° | 37.4° |
| C4 | C3 | H5 | H6 | 121.9° | 122.2° |
| C4 | C3 | C2 | H1 | 142.2° | 118.3° |
| C3 | C4 | H7 | H8 | 121.8° | 123.2° |
| C3 | C4 | C5 | H10 | 136.8° | 155.9° |
| C3 | C4 | C5 | H9 | 102.8° | 81.0° |
| C5 | C4 | C3 | C2 | 23.1° | 22.0° |
| C4 | C5 | N1 | C2 | 3.8° | 39.2° |
| C4 | C5 | N1 | H10 | 119.8° | 118.5° |
| C4 | C5 | N1 | H9 | 119.8° | 118.4° |
| C4 | C5 | N1 | C6 | 164.1° | 159.7° |
| C5 | C4 | C3 | H5 | 96.3° | 140.9° |
| C5 | C4 | C3 | H6 | 142.5° | 97.0° |
| C5 | C4 | H7 | H8 | 121.9° | 123.2° |
| C4 | C5 | H10 | H9 | 120.6° | 123.1° |
| O1 | C1 | C2 | C3 | 62.1° | 53.5° |
| O1 | C1 | C2 | H3 | 119.9° | 120.0° |
| O1 | C1 | C2 | H4 | 119.9° | 120.0° |
| O1 | C1 | C2 | N1 | 177.8° | 64.1° |
| O1 | C1 | H3 | H4 | 120.5° | 120.0° |
| O1 | C1 | C2 | H1 | 59.7° | 174.6° |
| C3 | C2 | C1 | N1 | 115.6° | 117.6° |
| C3 | C2 | C1 | H1 | 121.8° | 121.1° |
| C3 | C2 | N1 | H1 | 120.6° | 119.4° |
| C3 | C2 | N1 | C5 | 10.8° | 25.3° |
| C3 | C2 | N1 | C6 | 149.1° | 145.8° |
| C2 | C3 | H5 | H6 | 121.8° | 122.0° |
| C3 | C2 | C1 | H3 | 178.0° | 173.6° |
| C3 | C2 | C1 | H4 | 57.7° | 66.5° |
| C2 | C3 | C4 | H7 | 96.2° | 96.4° |
| C2 | C3 | C4 | H8 | 142.5° | 140.3° |
| C1 | C2 | N1 | H1 | 121.9° | 121.2° |
| C1 | C2 | N1 | C5 | 106.6° | 144.7° |
| C1 | C2 | N1 | C6 | 93.5° | 94.8° |
| C1 | C2 | C3 | H5 | 144.5° | 1.6° |
| C1 | C2 | C3 | H6 | 23.3° | 120.4° |
| C2 | C1 | H3 | H4 | 120.4° | 119.9° |
| C2 | C1 | O1 | H2 | 180.0° | 180.0° |
| C2 | N1 | C5 | C6 | 160.3° | 120.5° |
| C2 | N1 | C6 | N2 | 11.2° | 0.0° |
| C2 | N1 | C6 | C9 | 169.9° | 179.9° |
| N1 | C2 | C3 | H5 | 98.3° | 117.8° |
| N1 | C2 | C3 | H6 | 140.4° | 120.2° |
| N1 | C2 | C1 | H3 | 62.3° | 55.9° |
| N1 | C2 | C1 | H4 | 57.9° | 175.9° |
| C2 | N1 | C5 | H10 | 123.6° | 157.6° |
| C2 | N1 | C5 | H9 | 116.0° | 79.2° |
| C5 | N1 | C6 | N2 | 168.4° | 117.4° |
| C5 | N1 | C6 | C9 | 12.6° | 62.7° |
| C5 | N1 | C2 | H1 | 131.4° | 94.2° |
| N1 | C5 | C4 | H7 | 102.4° | 81.0° |
| N1 | C5 | C4 | H8 | 136.3° | 155.8° |
| N1 | C5 | H10 | H9 | 120.6° | 123.1° |
| N1 | C6 | N2 | C9 | 179.0° | 179.9° |
| N1 | C6 | C9 | C10 | 0.4° | 0.2° |
| N1 | C6 | N2 | C7 | 179.0° | 180.0° |
| N1 | C6 | C9 | C8 | 179.3° | 180.0° |
| C6 | N1 | C2 | H1 | 28.4° | 26.4° |
| C6 | N1 | C5 | H10 | 76.1° | 81.8° |
| C6 | N1 | C5 | H9 | 44.3° | 41.3° |
| N2 | C6 | C9 | C10 | 178.5° | 180.0° |
| N2 | C6 | C9 | C8 | 1.8° | 0.1° |
| C6 | N2 | C7 | N3 | 1.0° | 0.1° |
| C6 | N2 | C7 | H11 | 179.0° | 179.9° |
| C6 | C9 | C10 | C8 | 179.7° | 179.9° |
| C6 | C9 | C10 | C11 | 179.8° | 179.9° |
| C9 | C6 | N2 | C7 | 2.0° | 0.1° |
| C6 | C9 | C8 | N3 | 0.7° | 0.0° |
| C6 | C9 | C8 | N4 | 179.5° | 179.9° |
| C6 | C9 | C10 | H12 | 0.1° | 0.2° |
| C9 | C10 | C11 | H12 | 180.0° | 179.9° |
| C9 | C10 | C11 | N4 | 0.5° | 0.0° |
| C10 | C9 | C8 | N3 | 179.5° | 179.9° |
| C10 | C9 | C8 | N4 | 0.3° | 0.0° |
| C9 | C10 | C11 | H13 | 179.5° | 180.0° |
| C11 | C10 | C9 | C8 | 0.2° | 0.0° |
| C10 | C11 | N4 | H13 | 180.0° | 180.0° |
| C10 | C11 | N4 | C8 | 0.6° | 0.0° |
| C10 | C11 | N4 | H14 | 179.4° | 180.0° |
| N2 | C7 | N3 | H11 | 180.0° | 180.0° |
| N2 | C7 | N3 | C8 | 0.1° | 0.0° |
| C9 | C8 | N4 | C11 | 0.6° | 0.0° |
| C9 | C8 | N3 | C7 | 0.2° | 0.0° |
| C9 | C8 | N3 | N4 | 179.7° | 179.9° |
| C8 | C9 | C10 | H12 | 179.8° | 180.0° |
| C9 | C8 | N4 | H14 | 179.5° | 180.0° |
| C11 | N4 | C8 | N3 | 179.2° | 180.0° |
| C11 | N4 | C8 | H14 | 180.0° | 180.0° |
| N4 | C11 | C10 | H12 | 179.4° | 180.0° |
| C7 | N3 | C8 | N4 | 179.5° | 180.0° |
| C8 | N3 | C7 | H11 | 179.9° | 180.0° |
| N3 | C8 | N4 | H14 | 0.8° | 0.1° |
| C8 | N4 | C11 | H13 | 179.4° | 180.0° |
| H5 | C3 | C2 | H1 | 22.8° | 122.7° |
| H5 | C3 | C4 | H7 | 144.4° | 22.5° |
| H5 | C3 | C4 | H8 | 23.1° | 100.8° |
| H6 | C3 | C2 | H1 | 98.5° | 0.7° |
| H6 | C3 | C4 | H7 | 23.1° | 144.6° |
| H6 | C3 | C4 | H8 | 98.2° | 21.4° |
| H3 | C1 | C2 | H1 | 60.2° | 65.3° |
| H3 | C1 | O1 | H2 | 60.2° | 60.0° |
| H4 | C1 | C2 | H1 | 179.6° | 54.7° |
| H4 | C1 | O1 | H2 | 60.1° | 60.0° |
| H12 | C10 | C11 | H13 | 0.5° | 0.1° |
| H13 | C11 | N4 | H14 | 0.6° | 0.0° |
| H7 | C4 | C5 | H10 | 17.4° | 37.5° |
| H7 | C4 | C5 | H9 | 137.8° | 160.6° |
| H8 | C4 | C5 | H10 | 103.9° | 85.8° |
| H8 | C4 | C5 | H9 | 16.5° | 37.4° |






