A1A37
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| N | C5 | sing | 1.39Å | 1.36Å | |
| C6 | N | sing | 1.46Å | 1.46Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.55Å | 1.54Å | |
| C8 | C9 | sing | 1.55Å | 1.56Å | |
| C9 | N1 | sing | 1.49Å | 1.47Å | |
| N1 | C10 | sing | 1.48Å | 1.50Å | |
| C10 | C7 | sing | 1.54Å | 1.53Å | |
| C5 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | H17 | sing | 1.01Å | 1.00Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 121.4° | 119.6° |
| C | C1 | N2 | 116.6° | 119.6° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H1 | 109.4° | 109.5° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C2 | C3 | 119.1° | 119.3° |
| C2 | C1 | N2 | 121.7° | 120.8° |
| C1 | C2 | H3 | 120.4° | 120.3° |
| C2 | C3 | C4 | 119.8° | 118.5° |
| C2 | C3 | H4 | 120.1° | 120.8° |
| C3 | C2 | H3 | 120.4° | 120.4° |
| C3 | C4 | C5 | 117.7° | 119.1° |
| C3 | C4 | H5 | 121.2° | 120.5° |
| C4 | C3 | H4 | 120.1° | 120.7° |
| C4 | C5 | N | 120.2° | 119.7° |
| C4 | C5 | N2 | 123.1° | 120.6° |
| C5 | C4 | H5 | 121.1° | 120.4° |
| C5 | N | C6 | 122.9° | 120.0° |
| N | C5 | N2 | 116.7° | 119.7° |
| C5 | N | H6 | 106.0° | 120.0° |
| N | C6 | C7 | 113.1° | 109.5° |
| N | C6 | H8 | 108.6° | 109.5° |
| N | C6 | H7 | 108.5° | 109.5° |
| C6 | N | H6 | 106.0° | 120.0° |
| C6 | C7 | C8 | 113.3° | 110.3° |
| C6 | C7 | C10 | 114.3° | 110.3° |
| C7 | C6 | H8 | 108.6° | 109.5° |
| C7 | C6 | H7 | 108.6° | 109.4° |
| C6 | C7 | H9 | 109.0° | 110.2° |
| C7 | C8 | C9 | 104.9° | 102.9° |
| C8 | C7 | C10 | 102.5° | 105.2° |
| C8 | C7 | H9 | 108.7° | 110.3° |
| C7 | C8 | H11 | 110.6° | 110.7° |
| C7 | C8 | H10 | 110.6° | 110.7° |
| C8 | C9 | N1 | 105.3° | 103.2° |
| C9 | C8 | H11 | 110.6° | 110.8° |
| C9 | C8 | H10 | 110.6° | 110.8° |
| C8 | C9 | H13 | 110.5° | 110.6° |
| C8 | C9 | H12 | 110.5° | 110.7° |
| C9 | N1 | C10 | 104.3° | 105.8° |
| C9 | N1 | H17 | 110.7° | 111.0° |
| N1 | C9 | H13 | 110.5° | 110.7° |
| N1 | C9 | H12 | 110.5° | 110.7° |
| N1 | C10 | C7 | 111.3° | 107.1° |
| C10 | N1 | H17 | 110.8° | 111.0° |
| N1 | C10 | H16 | 109.0° | 109.9° |
| N1 | C10 | H15 | 109.0° | 109.9° |
| C10 | C7 | H9 | 108.9° | 110.4° |
| C7 | C10 | H16 | 109.0° | 110.0° |
| C7 | C10 | H15 | 109.0° | 109.9° |
| C5 | N2 | C1 | 118.5° | 121.6° |
| H8 | C6 | H7 | 109.5° | 109.5° |
| H11 | C8 | H10 | 109.4° | 110.8° |
| H16 | C10 | H15 | 109.5° | 110.0° |
| H2 | C | H1 | 109.5° | 109.5° |
| H2 | C | H | 109.4° | 109.4° |
| H1 | C | H | 109.5° | 109.5° |
| H13 | C9 | H12 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | N2 | 174.0° | 179.3° |
| C | C1 | C2 | C3 | 171.7° | 180.0° |
| C | C1 | N2 | C5 | 172.4° | 179.8° |
| C1 | C | H2 | H1 | 120.0° | 120.1° |
| C1 | C | H2 | H | 120.0° | 120.0° |
| C1 | C | H1 | H | 120.0° | 120.0° |
| C | C1 | C2 | H3 | 8.3° | 0.7° |
| C1 | C2 | C3 | H3 | 180.0° | 179.2° |
| C1 | C2 | C3 | C4 | 1.3° | 0.5° |
| C2 | C1 | N2 | C5 | 1.9° | 0.4° |
| C2 | C1 | C | H2 | 174.3° | 89.9° |
| C2 | C1 | C | H1 | 54.3° | 150.0° |
| C2 | C1 | C | H | 65.7° | 30.0° |
| C1 | C2 | C3 | H4 | 178.7° | 179.5° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C3 | C2 | C1 | N2 | 2.3° | 0.7° |
| C2 | C3 | C4 | H5 | 180.0° | 179.8° |
| C3 | C4 | C5 | H5 | 180.0° | 179.8° |
| C3 | C4 | C5 | N | 179.6° | 179.8° |
| C3 | C4 | C5 | N2 | 0.4° | 0.3° |
| C4 | C3 | C2 | H3 | 178.7° | 179.7° |
| C4 | C5 | N | N2 | 179.3° | 179.9° |
| C4 | C5 | N | C6 | 13.6° | 0.1° |
| C4 | C5 | N2 | C1 | 0.6° | 0.1° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C4 | C5 | N | H6 | 135.4° | 180.0° |
| C5 | N | C6 | H6 | 121.8° | 179.9° |
| C5 | N | C6 | C7 | 151.9° | 180.0° |
| N | C5 | N2 | C1 | 178.7° | 180.0° |
| N | C5 | C4 | H5 | 0.4° | 0.0° |
| C5 | N | C6 | H8 | 87.5° | 59.9° |
| C5 | N | C6 | H7 | 31.4° | 60.1° |
| N | C6 | C7 | H8 | 120.6° | 120.0° |
| N | C6 | C7 | H7 | 120.5° | 120.0° |
| N | C6 | C7 | C8 | 158.7° | 174.9° |
| N | C6 | C7 | C10 | 84.4° | 69.3° |
| C6 | N | C5 | N2 | 165.7° | 180.0° |
| N | C6 | H8 | H7 | 118.3° | 120.0° |
| N | C6 | C7 | H9 | 37.6° | 52.9° |
| C6 | C7 | C8 | C10 | 123.6° | 118.9° |
| C6 | C7 | C8 | H9 | 121.3° | 122.0° |
| C6 | C7 | C8 | C9 | 101.6° | 140.9° |
| C6 | C7 | C10 | N1 | 119.9° | 117.7° |
| C6 | C7 | C10 | H9 | 122.1° | 122.1° |
| C7 | C6 | H8 | H7 | 118.3° | 120.0° |
| C6 | C7 | C8 | H11 | 139.1° | 100.7° |
| C6 | C7 | C8 | H10 | 17.7° | 22.5° |
| C6 | C7 | C10 | H16 | 119.8° | 122.9° |
| C6 | C7 | C10 | H15 | 0.3° | 1.7° |
| C7 | C6 | N | H6 | 30.1° | 0.1° |
| C7 | C8 | C9 | H11 | 119.3° | 118.4° |
| C7 | C8 | C9 | H10 | 119.3° | 118.3° |
| C7 | C8 | C9 | N1 | 34.4° | 37.4° |
| C8 | C7 | C10 | N1 | 3.0° | 1.3° |
| C8 | C7 | C10 | H9 | 115.0° | 119.0° |
| C8 | C7 | C6 | H8 | 38.1° | 65.0° |
| C8 | C7 | C6 | H7 | 80.8° | 55.0° |
| C7 | C8 | H11 | H10 | 122.1° | 123.2° |
| C8 | C7 | C10 | H16 | 117.3° | 118.1° |
| C8 | C7 | C10 | H15 | 123.3° | 120.6° |
| C7 | C8 | C9 | H13 | 153.8° | 155.8° |
| C7 | C8 | C9 | H12 | 84.9° | 81.1° |
| C8 | C9 | N1 | H13 | 119.4° | 118.4° |
| C8 | C9 | N1 | H12 | 119.3° | 118.5° |
| C8 | C9 | N1 | C10 | 31.8° | 39.3° |
| C9 | C8 | C7 | C10 | 22.0° | 21.9° |
| C8 | C9 | N1 | H17 | 87.4° | 159.7° |
| C9 | C8 | C7 | H9 | 137.1° | 97.1° |
| C9 | C8 | H11 | H10 | 122.1° | 123.3° |
| C8 | C9 | H13 | H12 | 121.9° | 123.1° |
| C9 | N1 | C10 | H17 | 119.2° | 120.5° |
| C9 | N1 | C10 | C7 | 18.3° | 25.4° |
| N1 | C9 | C8 | H11 | 84.9° | 155.8° |
| N1 | C9 | C8 | H10 | 153.7° | 80.9° |
| C9 | N1 | C10 | H16 | 138.6° | 94.0° |
| C9 | N1 | C10 | H15 | 101.9° | 144.8° |
| N1 | C9 | H13 | H12 | 121.9° | 123.1° |
| N1 | C10 | C7 | H16 | 120.3° | 119.4° |
| N1 | C10 | C7 | H15 | 120.3° | 119.3° |
| N1 | C10 | C7 | H9 | 118.0° | 120.2° |
| N1 | C10 | H16 | H15 | 119.1° | 121.1° |
| C10 | N1 | C9 | H13 | 151.1° | 157.7° |
| C10 | N1 | C9 | H12 | 87.6° | 79.2° |
| C7 | C10 | N1 | H17 | 100.8° | 145.8° |
| C10 | C7 | C6 | H8 | 155.0° | 50.7° |
| C10 | C7 | C6 | H7 | 36.1° | 170.7° |
| C10 | C7 | C8 | H11 | 97.3° | 140.3° |
| C10 | C7 | C8 | H10 | 141.3° | 96.4° |
| C7 | C10 | H16 | H15 | 119.1° | 121.2° |
| N2 | C5 | C4 | H5 | 179.6° | 179.9° |
| N2 | C5 | N | H6 | 43.9° | 0.1° |
| N2 | C1 | C | H2 | 0.0° | 90.8° |
| N2 | C1 | C | H1 | 120.0° | 29.3° |
| N2 | C1 | C | H | 120.0° | 149.3° |
| N2 | C1 | C2 | H3 | 177.7° | 180.0° |
| H17 | N1 | C10 | H16 | 19.4° | 26.4° |
| H17 | N1 | C10 | H15 | 138.9° | 94.8° |
| H17 | N1 | C9 | H13 | 31.9° | 81.9° |
| H17 | N1 | C9 | H12 | 153.3° | 41.3° |
| H5 | C4 | C3 | H4 | 0.0° | 0.2° |
| H8 | C6 | C7 | H9 | 83.0° | 172.9° |
| H8 | C6 | N | H6 | 150.7° | 120.0° |
| H7 | C6 | C7 | H9 | 158.1° | 67.1° |
| H7 | C6 | N | H6 | 90.4° | 120.0° |
| H9 | C7 | C8 | H11 | 17.8° | 21.3° |
| H9 | C7 | C8 | H10 | 103.6° | 144.5° |
| H9 | C7 | C10 | H16 | 2.3° | 0.8° |
| H9 | C7 | C10 | H15 | 121.8° | 120.4° |
| H11 | C8 | C9 | H13 | 34.5° | 85.8° |
| H11 | C8 | C9 | H12 | 155.8° | 37.3° |
| H10 | C8 | C9 | H13 | 86.9° | 37.6° |
| H10 | C8 | C9 | H12 | 34.4° | 160.6° |
| H2 | C | H1 | H | 120.0° | 119.9° |
| H4 | C3 | C2 | H3 | 1.3° | 0.3° |
