A1A7Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
| N5 | C4 | sing | 1.38Å | 1.33Å | |
| C1 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
| C4 | C3 | doub | 1.41Å | 1.40Å | Aromatic |
| N2 | C2 | doub | 1.33Å | 1.33Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.38Å | Aromatic |
| C3 | N4 | sing | 1.35Å | 1.37Å | Aromatic |
| C2 | N3 | sing | 1.37Å | 1.39Å | Aromatic |
| N4 | C5 | doub | 1.30Å | 1.31Å | Aromatic |
| N3 | C5 | sing | 1.36Å | 1.38Å | Aromatic |
| N3 | C6 | sing | 1.46Å | 1.46Å | |
| C7 | C6 | sing | 1.54Å | 1.52Å | |
| C7 | C8 | sing | 1.54Å | 1.52Å | |
| C10 | C6 | sing | 1.54Å | 1.52Å | |
| C10 | C9 | sing | 1.55Å | 1.53Å | |
| C9 | C8 | sing | 1.55Å | 1.49Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| N5 | H12 | sing | 0.97Å | 1.00Å | |
| N5 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C4 | 118.6° | 121.2° |
| N1 | C1 | N2 | 129.3° | 122.5° |
| N1 | C1 | H1 | 115.4° | 118.7° |
| N1 | C4 | N5 | 119.2° | 120.8° |
| N1 | C4 | C3 | 117.4° | 118.5° |
| N5 | C4 | C3 | 123.4° | 120.8° |
| C4 | N5 | H12 | 109.5° | 120.0° |
| C4 | N5 | H13 | 109.5° | 120.0° |
| C1 | N2 | C2 | 110.5° | 120.6° |
| N2 | C1 | H1 | 115.4° | 118.8° |
| C4 | C3 | C2 | 117.1° | 118.2° |
| C4 | C3 | N4 | 132.1° | 134.7° |
| N2 | C2 | C3 | 127.3° | 119.1° |
| N2 | C2 | N3 | 126.8° | 134.9° |
| C2 | C3 | N4 | 110.9° | 107.1° |
| C3 | C2 | N3 | 105.9° | 106.0° |
| C3 | N4 | C5 | 105.3° | 109.4° |
| C2 | N3 | C5 | 105.3° | 107.4° |
| C2 | N3 | C6 | 131.1° | 126.3° |
| N4 | C5 | N3 | 112.7° | 110.0° |
| N4 | C5 | H4 | 123.7° | 125.0° |
| C5 | N3 | C6 | 123.6° | 126.3° |
| N3 | C5 | H4 | 123.7° | 125.0° |
| N3 | C6 | C7 | 117.6° | 110.0° |
| N3 | C6 | C10 | 116.2° | 110.1° |
| N3 | C6 | H5 | 107.5° | 110.0° |
| C6 | C7 | C8 | 99.0° | 106.6° |
| C7 | C6 | C10 | 101.3° | 106.6° |
| C6 | C7 | H2 | 112.1° | 110.1° |
| C6 | C7 | H3 | 112.0° | 110.0° |
| C7 | C6 | H5 | 106.8° | 110.0° |
| C7 | C8 | C9 | 104.7° | 104.2° |
| C8 | C7 | H2 | 112.0° | 110.0° |
| C8 | C7 | H3 | 112.0° | 110.0° |
| C7 | C8 | H8 | 110.7° | 110.5° |
| C7 | C8 | H9 | 110.7° | 110.5° |
| C6 | C10 | C9 | 102.7° | 104.2° |
| C10 | C6 | H5 | 106.7° | 110.0° |
| C6 | C10 | H6 | 111.2° | 110.5° |
| C6 | C10 | H7 | 111.1° | 110.5° |
| C10 | C9 | C8 | 106.5° | 102.8° |
| C9 | C10 | H6 | 111.1° | 110.5° |
| C9 | C10 | H7 | 111.1° | 110.5° |
| C10 | C9 | H10 | 110.2° | 110.7° |
| C10 | C9 | H11 | 110.2° | 110.7° |
| C9 | C8 | H8 | 110.6° | 110.5° |
| C9 | C8 | H9 | 110.6° | 110.6° |
| C8 | C9 | H10 | 110.2° | 110.7° |
| C8 | C9 | H11 | 110.2° | 110.8° |
| H2 | C7 | H3 | 109.4° | 110.0° |
| H6 | C10 | H7 | 109.5° | 110.5° |
| H8 | C8 | H9 | 109.5° | 110.4° |
| H10 | C9 | H11 | 109.5° | 110.9° |
| H12 | N5 | H13 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C4 | N5 | 179.7° | 179.8° |
| N1 | C1 | N2 | H1 | 180.0° | 179.6° |
| C1 | N1 | C4 | C3 | 0.2° | 0.5° |
| N1 | C1 | N2 | C2 | 0.2° | 0.3° |
| N1 | C4 | N5 | C3 | 179.5° | 179.3° |
| C4 | N1 | C1 | N2 | 0.2° | 0.1° |
| N1 | C4 | C3 | C2 | 0.5° | 0.7° |
| N1 | C4 | C3 | N4 | 180.0° | 180.0° |
| C4 | N1 | C1 | H1 | 179.9° | 179.7° |
| N1 | C4 | N5 | H12 | 0.0° | 179.3° |
| N1 | C4 | N5 | H13 | 120.0° | 0.7° |
| N5 | C4 | C3 | C2 | 180.0° | 180.0° |
| N5 | C4 | C3 | N4 | 0.5° | 0.7° |
| C4 | N5 | H12 | H13 | 120.0° | 180.0° |
| C1 | N2 | C2 | C3 | 0.1° | 0.0° |
| C1 | N2 | C2 | N3 | 180.0° | 180.0° |
| C4 | C3 | C2 | N2 | 0.5° | 0.5° |
| C4 | C3 | C2 | N4 | 179.6° | 179.5° |
| C4 | C3 | C2 | N3 | 179.6° | 179.5° |
| C4 | C3 | N4 | C5 | 179.5° | 179.4° |
| C3 | C4 | N5 | H12 | 179.5° | 0.0° |
| C3 | C4 | N5 | H13 | 60.5° | 180.0° |
| N2 | C2 | C3 | N3 | 179.9° | 180.0° |
| N2 | C2 | C3 | N4 | 179.9° | 180.0° |
| N2 | C2 | N3 | C5 | 180.0° | 180.0° |
| N2 | C2 | N3 | C6 | 0.1° | 0.0° |
| C2 | N2 | C1 | H1 | 179.8° | 180.0° |
| C2 | C3 | N4 | C5 | 0.0° | 0.0° |
| C3 | C2 | N3 | C5 | 0.1° | 0.1° |
| C3 | C2 | N3 | C6 | 179.9° | 180.0° |
| N4 | C3 | C2 | N3 | 0.1° | 0.0° |
| C3 | N4 | C5 | N3 | 0.1° | 0.0° |
| C3 | N4 | C5 | H4 | 179.9° | 180.0° |
| C2 | N3 | C5 | N4 | 0.1° | 0.0° |
| C2 | N3 | C5 | C6 | 180.0° | 179.9° |
| C2 | N3 | C6 | C7 | 48.9° | 120.1° |
| C2 | N3 | C6 | C10 | 71.4° | 122.8° |
| C2 | N3 | C5 | H4 | 179.8° | 179.9° |
| C2 | N3 | C6 | H5 | 169.2° | 1.3° |
| N4 | C5 | N3 | H4 | 180.0° | 180.0° |
| N4 | C5 | N3 | C6 | 179.9° | 180.0° |
| C5 | N3 | C6 | C7 | 131.2° | 60.0° |
| C5 | N3 | C6 | C10 | 108.6° | 57.2° |
| C5 | N3 | C6 | H5 | 10.8° | 178.6° |
| N3 | C6 | C7 | C10 | 127.7° | 119.3° |
| N3 | C6 | C7 | H5 | 120.8° | 121.4° |
| N3 | C6 | C7 | C8 | 177.9° | 119.3° |
| N3 | C6 | C10 | H5 | 119.8° | 121.4° |
| N3 | C6 | C10 | C9 | 168.2° | 142.9° |
| N3 | C6 | C7 | H2 | 59.6° | 0.0° |
| N3 | C6 | C7 | H3 | 63.8° | 121.4° |
| C6 | N3 | C5 | H4 | 0.1° | 0.0° |
| N3 | C6 | C10 | H6 | 72.9° | 98.4° |
| N3 | C6 | C10 | H7 | 49.3° | 24.2° |
| C6 | C7 | C8 | H2 | 118.3° | 119.3° |
| C6 | C7 | C8 | H3 | 118.3° | 119.3° |
| C7 | C6 | C10 | H5 | 111.5° | 119.3° |
| C7 | C6 | C10 | C9 | 39.6° | 23.6° |
| C6 | C7 | C8 | C9 | 42.1° | 23.6° |
| C6 | C7 | H2 | H3 | 124.9° | 121.4° |
| C7 | C6 | C10 | H6 | 158.5° | 142.3° |
| C7 | C6 | C10 | H7 | 79.3° | 95.1° |
| C6 | C7 | C8 | H8 | 161.3° | 95.1° |
| C6 | C7 | C8 | H9 | 77.1° | 142.4° |
| C8 | C7 | C6 | C10 | 50.2° | 0.0° |
| C7 | C8 | C9 | C10 | 18.0° | 37.9° |
| C7 | C8 | C9 | H8 | 119.2° | 118.7° |
| C7 | C8 | C9 | H9 | 119.2° | 118.8° |
| C8 | C7 | H2 | H3 | 124.9° | 121.4° |
| C8 | C7 | C6 | H5 | 61.3° | 119.2° |
| C7 | C8 | H8 | H9 | 122.3° | 122.6° |
| C7 | C8 | C9 | H10 | 137.6° | 80.3° |
| C7 | C8 | C9 | H11 | 101.5° | 156.2° |
| C6 | C10 | C9 | H6 | 118.9° | 118.7° |
| C6 | C10 | C9 | H7 | 118.9° | 118.7° |
| C6 | C10 | C9 | C8 | 13.4° | 37.9° |
| C10 | C6 | C7 | H2 | 68.1° | 119.3° |
| C10 | C6 | C7 | H3 | 168.5° | 119.3° |
| C6 | C10 | H6 | H7 | 123.1° | 122.6° |
| C6 | C10 | C9 | H10 | 106.2° | 80.4° |
| C6 | C10 | C9 | H11 | 132.9° | 156.2° |
| C10 | C9 | C8 | H10 | 119.6° | 118.2° |
| C10 | C9 | C8 | H11 | 119.5° | 118.3° |
| C9 | C10 | C6 | H5 | 72.0° | 95.7° |
| C9 | C10 | H6 | H7 | 123.1° | 122.6° |
| C10 | C9 | C8 | H8 | 137.3° | 80.8° |
| C10 | C9 | C8 | H9 | 101.2° | 156.7° |
| C10 | C9 | H10 | H11 | 121.4° | 123.3° |
| C9 | C8 | C7 | H2 | 76.2° | 142.9° |
| C9 | C8 | C7 | H3 | 160.3° | 95.7° |
| C8 | C9 | C10 | H6 | 132.3° | 156.6° |
| C8 | C9 | C10 | H7 | 105.6° | 80.8° |
| C9 | C8 | H8 | H9 | 122.2° | 122.7° |
| C8 | C9 | H10 | H11 | 121.3° | 123.4° |
| H2 | C7 | C6 | H5 | 179.6° | 121.4° |
| H2 | C7 | C8 | H8 | 43.0° | 24.3° |
| H2 | C7 | C8 | H9 | 164.6° | 98.3° |
| H3 | C7 | C6 | H5 | 56.9° | 0.1° |
| H3 | C7 | C8 | H8 | 80.4° | 145.6° |
| H3 | C7 | C8 | H9 | 41.1° | 23.1° |
| H5 | C6 | C10 | H6 | 47.0° | 23.0° |
| H5 | C6 | C10 | H7 | 169.1° | 145.7° |
| H6 | C10 | C9 | H10 | 12.7° | 38.3° |
| H6 | C10 | C9 | H11 | 108.2° | 85.0° |
| H7 | C10 | C9 | H10 | 134.9° | 160.9° |
| H7 | C10 | C9 | H11 | 14.0° | 37.6° |
| H8 | C8 | C9 | H10 | 103.2° | 161.0° |
| H8 | C8 | C9 | H11 | 17.7° | 37.5° |
| H9 | C8 | C9 | H10 | 18.4° | 38.4° |
| H9 | C8 | C9 | H11 | 139.3° | 85.0° |
