A1A39
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.47Å | 1.47Å | |
| C1 | N | sing | 1.47Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C5 | sing | 1.47Å | 1.47Å | |
| C5 | C1 | sing | 1.53Å | 1.53Å | |
| C6 | N1 | sing | 1.39Å | 1.39Å | |
| C6 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| C9 | N2 | doub | 1.32Å | 1.32Å | Aromatic |
| N2 | N3 | sing | 1.28Å | 1.36Å | Aromatic |
| N3 | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 113.7° | 111.0° |
| N | C | H2 | 109.5° | 109.5° |
| N | C | H | 109.5° | 109.4° |
| N | C | H1 | 109.5° | 109.5° |
| C | N | H3 | 108.4° | 111.0° |
| N | C1 | C2 | 99.7° | 109.5° |
| N | C1 | C5 | 109.6° | 109.5° |
| C1 | N | H3 | 108.4° | 110.9° |
| N | C1 | H4 | 111.9° | 109.5° |
| C1 | C2 | C3 | 111.3° | 109.1° |
| C2 | C1 | C5 | 112.6° | 109.3° |
| C2 | C1 | H4 | 111.3° | 109.5° |
| C1 | C2 | H5 | 109.0° | 109.6° |
| C1 | C2 | H6 | 109.0° | 109.5° |
| C2 | C3 | C4 | 110.5° | 109.3° |
| C2 | C3 | H7 | 109.2° | 109.5° |
| C2 | C3 | H8 | 109.2° | 109.6° |
| C3 | C2 | H5 | 109.0° | 109.5° |
| C3 | C2 | H6 | 109.0° | 109.5° |
| C3 | C4 | N1 | 110.2° | 109.5° |
| C3 | C4 | H10 | 109.3° | 109.5° |
| C3 | C4 | H9 | 109.3° | 109.4° |
| C4 | C3 | H7 | 109.2° | 109.5° |
| C4 | C3 | H8 | 109.2° | 109.5° |
| C4 | N1 | C5 | 111.0° | 111.2° |
| C4 | N1 | C6 | 117.9° | 111.0° |
| N1 | C4 | H10 | 109.3° | 109.5° |
| N1 | C4 | H9 | 109.3° | 109.5° |
| N1 | C5 | C1 | 112.0° | 109.5° |
| C5 | N1 | C6 | 120.1° | 111.0° |
| N1 | C5 | H11 | 108.8° | 109.5° |
| N1 | C5 | H12 | 108.9° | 109.5° |
| C1 | C5 | H11 | 108.8° | 109.5° |
| C1 | C5 | H12 | 108.8° | 109.4° |
| C5 | C1 | H4 | 111.2° | 109.5° |
| N1 | C6 | C7 | 121.5° | 120.2° |
| N1 | C6 | N3 | 116.9° | 120.2° |
| C6 | C7 | C8 | 117.3° | 118.0° |
| C7 | C6 | N3 | 121.6° | 119.6° |
| C6 | C7 | H13 | 121.4° | 121.0° |
| C7 | C8 | C9 | 118.2° | 118.0° |
| C8 | C7 | H13 | 121.3° | 121.1° |
| C7 | C8 | H14 | 120.9° | 121.0° |
| C8 | C9 | N2 | 123.2° | 120.0° |
| C9 | C8 | H14 | 120.9° | 121.0° |
| C8 | C9 | H15 | 118.4° | 120.0° |
| C9 | N2 | N3 | 119.7° | 122.2° |
| N2 | C9 | H15 | 118.4° | 120.0° |
| N2 | N3 | C6 | 120.1° | 122.1° |
| H10 | C4 | H9 | 109.4° | 109.4° |
| H11 | C5 | H12 | 109.4° | 109.5° |
| H2 | C | H | 109.5° | 109.5° |
| H2 | C | H1 | 109.5° | 109.5° |
| H | C | H1 | 109.4° | 109.5° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | H3 | 120.6° | 123.9° |
| C | N | C1 | C2 | 17.7° | 155.1° |
| C | N | C1 | C5 | 100.6° | 85.0° |
| N | C | H2 | H | 120.0° | 120.0° |
| N | C | H2 | H1 | 120.0° | 120.0° |
| N | C | H | H1 | 120.0° | 120.0° |
| C | N | C1 | H4 | 135.5° | 35.0° |
| N | C1 | C2 | C5 | 116.1° | 120.0° |
| N | C1 | C2 | H4 | 118.3° | 120.1° |
| N | C1 | C2 | C3 | 163.6° | 177.6° |
| N | C1 | C5 | N1 | 159.7° | 179.1° |
| N | C1 | C5 | H4 | 124.3° | 120.1° |
| N | C1 | C5 | H11 | 79.9° | 60.9° |
| N | C1 | C5 | H12 | 39.2° | 59.1° |
| C1 | N | C | H2 | 180.0° | 60.0° |
| C1 | N | C | H | 60.0° | 60.0° |
| C1 | N | C | H1 | 60.0° | 180.0° |
| N | C1 | C2 | H5 | 76.1° | 62.5° |
| N | C1 | C2 | H6 | 43.3° | 57.7° |
| C1 | C2 | C3 | H5 | 120.3° | 119.9° |
| C1 | C2 | C3 | H6 | 120.3° | 119.9° |
| C1 | C2 | C3 | C4 | 52.6° | 57.7° |
| C2 | C1 | C5 | N1 | 49.6° | 59.1° |
| C2 | C1 | C5 | H4 | 125.7° | 120.0° |
| C2 | C1 | C5 | H11 | 170.0° | 179.2° |
| C2 | C1 | C5 | H12 | 70.8° | 60.8° |
| C2 | C1 | N | H3 | 138.3° | 31.2° |
| C1 | C2 | C3 | H7 | 67.6° | 177.6° |
| C1 | C2 | C3 | H8 | 172.7° | 62.3° |
| C1 | C2 | H5 | H6 | 119.1° | 120.2° |
| C2 | C3 | C4 | H7 | 120.2° | 119.9° |
| C2 | C3 | C4 | H8 | 120.2° | 120.0° |
| C2 | C3 | C4 | N1 | 60.1° | 59.2° |
| C3 | C2 | C1 | C5 | 47.5° | 57.6° |
| C2 | C3 | C4 | H10 | 179.7° | 60.9° |
| C2 | C3 | C4 | H9 | 60.0° | 179.2° |
| C3 | C2 | C1 | H4 | 78.1° | 62.3° |
| C2 | C3 | H7 | H8 | 119.5° | 120.1° |
| C3 | C2 | H5 | H6 | 119.2° | 120.1° |
| C3 | C4 | N1 | H10 | 120.1° | 120.0° |
| C3 | C4 | N1 | H9 | 120.1° | 120.0° |
| C3 | C4 | N1 | C5 | 62.5° | 61.8° |
| C3 | C4 | N1 | C6 | 153.2° | 174.1° |
| C3 | C4 | H10 | H9 | 119.7° | 119.9° |
| C4 | C3 | H7 | H8 | 119.5° | 120.1° |
| C4 | C3 | C2 | H5 | 172.8° | 177.6° |
| C4 | C3 | C2 | H6 | 67.7° | 62.2° |
| C4 | N1 | C5 | C6 | 143.4° | 124.1° |
| C4 | N1 | C5 | C1 | 57.0° | 61.7° |
| C4 | N1 | C6 | C7 | 33.6° | 55.8° |
| C4 | N1 | C6 | N3 | 146.6° | 124.2° |
| N1 | C4 | H10 | H9 | 119.7° | 120.0° |
| C4 | N1 | C5 | H11 | 177.4° | 178.3° |
| C4 | N1 | C5 | H12 | 63.4° | 58.2° |
| N1 | C4 | C3 | H7 | 60.0° | 179.1° |
| N1 | C4 | C3 | H8 | 179.7° | 60.8° |
| N1 | C5 | C1 | H11 | 120.4° | 120.0° |
| N1 | C5 | C1 | H12 | 120.4° | 120.0° |
| C5 | N1 | C6 | C7 | 174.5° | 180.0° |
| C5 | N1 | C6 | N3 | 5.7° | 0.0° |
| C5 | N1 | C4 | H10 | 177.4° | 58.2° |
| C5 | N1 | C4 | H9 | 57.7° | 178.2° |
| N1 | C5 | H11 | H12 | 118.8° | 120.0° |
| N1 | C5 | C1 | H4 | 76.0° | 60.8° |
| C1 | C5 | N1 | C6 | 159.7° | 174.2° |
| C1 | C5 | H11 | H12 | 118.8° | 119.9° |
| C5 | C1 | N | H3 | 20.0° | 151.1° |
| C5 | C1 | C2 | H5 | 167.8° | 177.5° |
| C5 | C1 | C2 | H6 | 72.8° | 62.2° |
| N1 | C6 | C7 | N3 | 179.8° | 180.0° |
| N1 | C6 | C7 | C8 | 179.9° | 179.9° |
| N1 | C6 | N3 | N2 | 179.2° | 180.0° |
| C6 | N1 | C4 | H10 | 33.1° | 65.8° |
| C6 | N1 | C4 | H9 | 86.6° | 54.2° |
| C6 | N1 | C5 | H11 | 39.3° | 54.2° |
| C6 | N1 | C5 | H12 | 80.0° | 65.9° |
| N1 | C6 | C7 | H13 | 0.1° | 0.0° |
| C6 | C7 | C8 | H13 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 1.1° | 0.1° |
| C7 | C6 | N3 | N2 | 1.0° | 0.0° |
| C6 | C7 | C8 | H14 | 178.9° | 180.0° |
| C7 | C8 | C9 | H14 | 180.0° | 179.9° |
| C7 | C8 | C9 | N2 | 1.5° | 0.1° |
| C8 | C7 | C6 | N3 | 0.1° | 0.0° |
| C7 | C8 | C9 | H15 | 178.5° | 180.0° |
| C8 | C9 | N2 | H15 | 180.0° | 179.9° |
| C8 | C9 | N2 | N3 | 0.6° | 0.1° |
| C9 | C8 | C7 | H13 | 178.9° | 180.0° |
| C9 | N2 | N3 | C6 | 0.6° | 0.0° |
| N2 | C9 | C8 | H14 | 178.5° | 180.0° |
| N3 | N2 | C9 | H15 | 179.3° | 180.0° |
| N3 | C6 | C7 | H13 | 179.9° | 180.0° |
| H10 | C4 | C3 | H7 | 60.1° | 59.0° |
| H10 | C4 | C3 | H8 | 59.6° | 179.1° |
| H9 | C4 | C3 | H7 | 179.8° | 60.9° |
| H9 | C4 | C3 | H8 | 60.2° | 59.2° |
| H11 | C5 | C1 | H4 | 44.4° | 59.2° |
| H12 | C5 | C1 | H4 | 163.6° | 179.2° |
| H13 | C7 | C8 | H14 | 1.1° | 0.1° |
| H14 | C8 | C9 | H15 | 1.5° | 0.1° |
| H2 | C | H | H1 | 120.0° | 120.0° |
| H2 | C | N | H3 | 59.4° | 63.9° |
| H | C | N | H3 | 60.6° | 176.1° |
| H1 | C | N | H3 | 179.4° | 56.1° |
| H3 | N | C1 | H4 | 103.9° | 88.9° |
| H4 | C1 | C2 | H5 | 42.2° | 57.6° |
| H4 | C1 | C2 | H6 | 161.6° | 177.8° |
| H7 | C3 | C2 | H5 | 52.7° | 62.5° |
| H7 | C3 | C2 | H6 | 172.1° | 57.7° |
| H8 | C3 | C2 | H5 | 67.0° | 57.6° |
| H8 | C3 | C2 | H6 | 52.4° | 177.8° |
