UA2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.31Å | 1.36Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | N3 | doub | 1.34Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | C9 | sing | 1.46Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.44Å | Aromatic |
| C5 | N7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.39Å | 1.35Å | |
| O5' | C5' | sing | 1.43Å | 1.75Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | C3' | sing | 1.54Å | 1.50Å | |
| C4' | N4' | sing | 1.49Å | 1.47Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| N4' | C1' | sing | 1.49Å | 1.46Å | |
| N4' | HN4' | sing | 1.01Å | 1.00Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.54Å | 1.55Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.54Å | 1.56Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | C9 | sing | 1.51Å | 1.51Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C9 | C8 | doub | 1.35Å | 1.38Å | Aromatic |
| C8 | N7 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N3 | 124.6° | 122.4° |
| N1 | C2 | H2 | 117.7° | 118.8° |
| C2 | N1 | C6 | 118.9° | 121.3° |
| N3 | C2 | H2 | 117.7° | 118.8° |
| C2 | N3 | C4 | 117.6° | 120.4° |
| N3 | C4 | C5 | 121.3° | 119.1° |
| N3 | C4 | C9 | 131.2° | 134.9° |
| C5 | C4 | C9 | 107.5° | 106.0° |
| C4 | C5 | C6 | 117.7° | 118.1° |
| C4 | C5 | N7 | 105.6° | 107.3° |
| C4 | C9 | C1' | 129.6° | 126.5° |
| C4 | C9 | C8 | 109.5° | 107.1° |
| C6 | C5 | N7 | 136.7° | 134.6° |
| C5 | C6 | N1 | 119.9° | 118.6° |
| C5 | C6 | N6 | 124.7° | 120.7° |
| C5 | N7 | C8 | 112.0° | 109.9° |
| C5 | N7 | HN7 | 124.0° | 125.1° |
| N1 | C6 | N6 | 115.4° | 120.7° |
| C6 | N6 | HN61 | 109.5° | 120.0° |
| C6 | N6 | HN62 | 109.5° | 120.0° |
| C5' | O5' | HO5' | 109.5° | 114.0° |
| O5' | C5' | C4' | 104.7° | 109.5° |
| O5' | C5' | H5'1 | 110.7° | 109.5° |
| O5' | C5' | H5'2 | 110.7° | 109.5° |
| C4' | C5' | H5'1 | 110.7° | 109.4° |
| C4' | C5' | H5'2 | 110.7° | 109.5° |
| C5' | C4' | C3' | 108.2° | 110.4° |
| C5' | C4' | N4' | 115.7° | 110.4° |
| C5' | C4' | H4' | 108.6° | 110.3° |
| H5'1 | C5' | H5'2 | 109.5° | 109.4° |
| C3' | C4' | N4' | 106.4° | 104.6° |
| C3' | C4' | H4' | 108.7° | 110.4° |
| C4' | C3' | O3' | 100.5° | 110.3° |
| C4' | C3' | C2' | 104.5° | 105.1° |
| C4' | C3' | H3' | 112.1° | 110.3° |
| N4' | C4' | H4' | 109.0° | 110.5° |
| C4' | N4' | C1' | 117.3° | 104.2° |
| C4' | N4' | HN4' | 107.5° | 111.0° |
| C1' | N4' | HN4' | 107.5° | 111.0° |
| N4' | C1' | C2' | 99.5° | 104.6° |
| N4' | C1' | C9 | 104.4° | 110.5° |
| N4' | C1' | H1' | 110.9° | 110.4° |
| O3' | C3' | C2' | 114.7° | 110.3° |
| O3' | C3' | H3' | 113.0° | 110.3° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C2' | C3' | H3' | 111.3° | 110.4° |
| C3' | C2' | O2' | 104.6° | 110.3° |
| C3' | C2' | C1' | 111.9° | 105.1° |
| C3' | C2' | H2' | 110.9° | 110.3° |
| O2' | C2' | C1' | 105.8° | 110.4° |
| O2' | C2' | H2' | 112.6° | 110.3° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C1' | C2' | H2' | 110.8° | 110.4° |
| C2' | C1' | C9 | 121.7° | 110.4° |
| C2' | C1' | H1' | 109.5° | 110.3° |
| C9 | C1' | H1' | 110.1° | 110.5° |
| C1' | C9 | C8 | 120.8° | 126.4° |
| C9 | C8 | N7 | 105.5° | 109.8° |
| C9 | C8 | H8 | 127.2° | 125.1° |
| N7 | C8 | H8 | 127.3° | 125.1° |
| C8 | N7 | HN7 | 124.0° | 125.1° |
| HN61 | N6 | HN62 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 179.7° |
| N1 | C2 | N3 | C4 | 0.2° | 0.0° |
| C2 | N1 | C6 | C5 | 2.6° | 0.0° |
| C2 | N1 | C6 | N6 | 177.6° | 179.9° |
| C2 | N3 | C4 | C5 | 0.7° | 0.0° |
| C2 | N3 | C4 | C9 | 179.4° | 180.0° |
| N3 | C2 | N1 | C6 | 1.9° | 0.0° |
| H2 | C2 | N3 | C4 | 179.8° | 179.7° |
| H2 | C2 | N1 | C6 | 178.1° | 179.7° |
| N3 | C4 | C5 | C9 | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.1° |
| N3 | C4 | C5 | N7 | 179.6° | 180.0° |
| N3 | C4 | C9 | C1' | 3.0° | 0.0° |
| N3 | C4 | C9 | C8 | 179.2° | 180.0° |
| C4 | C5 | C6 | N7 | 179.4° | 179.9° |
| C4 | C5 | C6 | N1 | 1.7° | 0.1° |
| C4 | C5 | C6 | N6 | 178.5° | 180.0° |
| C5 | C4 | C9 | C1' | 176.9° | 180.0° |
| C5 | C4 | C9 | C8 | 0.7° | 0.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.1° |
| C4 | C5 | N7 | HN7 | 179.9° | 180.0° |
| C9 | C4 | C5 | C6 | 179.9° | 180.0° |
| C9 | C4 | C5 | N7 | 0.3° | 0.1° |
| C4 | C9 | C1' | N4' | 115.7° | 156.4° |
| C4 | C9 | C1' | C2' | 4.7° | 88.4° |
| C4 | C9 | C1' | C8 | 175.9° | 180.0° |
| C4 | C9 | C1' | H1' | 125.3° | 34.0° |
| C4 | C9 | C8 | N7 | 0.7° | 0.0° |
| C4 | C9 | C8 | H8 | 179.3° | 180.0° |
| C5 | C6 | N1 | N6 | 179.8° | 179.9° |
| C6 | C5 | N7 | C8 | 179.3° | 180.0° |
| C6 | C5 | N7 | HN7 | 0.7° | 0.1° |
| C5 | C6 | N6 | HN61 | 179.8° | 0.1° |
| C5 | C6 | N6 | HN62 | 59.8° | 180.0° |
| N7 | C5 | C6 | N1 | 178.9° | 180.0° |
| N7 | C5 | C6 | N6 | 0.9° | 0.1° |
| C5 | N7 | C8 | C9 | 0.5° | 0.0° |
| C5 | N7 | C8 | HN7 | 180.0° | 180.0° |
| C5 | N7 | C8 | H8 | 179.5° | 180.0° |
| N1 | C6 | N6 | HN61 | 0.0° | 180.0° |
| N1 | C6 | N6 | HN62 | 120.0° | 0.1° |
| C6 | N6 | HN61 | HN62 | 120.0° | 179.9° |
| O5' | C5' | C4' | H5'1 | 119.2° | 120.0° |
| O5' | C5' | C4' | H5'2 | 119.2° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 122.2° | 120.0° |
| O5' | C5' | C4' | C3' | 96.7° | 175.0° |
| O5' | C5' | C4' | N4' | 22.5° | 69.8° |
| O5' | C5' | C4' | H4' | 145.4° | 52.6° |
| HO5' | O5' | C5' | C4' | 180.0° | 180.0° |
| HO5' | O5' | C5' | H5'1 | 60.7° | 60.1° |
| HO5' | O5' | C5' | H5'2 | 60.8° | 59.9° |
| C4' | C5' | H5'1 | H5'2 | 122.2° | 120.0° |
| C5' | C4' | C3' | N4' | 124.9° | 118.8° |
| C5' | C4' | C3' | H4' | 117.8° | 122.3° |
| C5' | C4' | N4' | H4' | 122.7° | 122.3° |
| C5' | C4' | N4' | C1' | 114.7° | 158.3° |
| C5' | C4' | N4' | HN4' | 124.1° | 82.2° |
| C5' | C4' | C3' | O3' | 117.2° | 98.5° |
| C5' | C4' | C3' | C2' | 123.6° | 142.6° |
| C5' | C4' | C3' | H3' | 3.0° | 23.7° |
| H5'1 | C5' | C4' | C3' | 22.5° | 65.0° |
| H5'1 | C5' | C4' | N4' | 141.8° | 50.2° |
| H5'1 | C5' | C4' | H4' | 95.3° | 172.6° |
| H5'2 | C5' | C4' | C3' | 144.1° | 55.0° |
| H5'2 | C5' | C4' | N4' | 96.7° | 170.2° |
| H5'2 | C5' | C4' | H4' | 26.2° | 67.4° |
| C3' | C4' | N4' | H4' | 117.1° | 118.9° |
| C3' | C4' | N4' | C1' | 5.4° | 39.5° |
| C3' | C4' | N4' | HN4' | 115.7° | 159.0° |
| C4' | C3' | O3' | C2' | 111.4° | 115.6° |
| C4' | C3' | O3' | H3' | 119.6° | 122.1° |
| C4' | C3' | C2' | H3' | 121.1° | 118.9° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | O2' | 111.4° | 118.9° |
| C4' | C3' | C2' | C1' | 2.7° | 0.0° |
| C4' | C3' | C2' | H2' | 126.9° | 119.0° |
| C4' | N4' | C1' | HN4' | 121.2° | 119.6° |
| N4' | C4' | C3' | O3' | 117.9° | 142.8° |
| N4' | C4' | C3' | C2' | 1.3° | 23.9° |
| N4' | C4' | C3' | H3' | 121.9° | 95.1° |
| C4' | N4' | C1' | C2' | 6.7° | 39.4° |
| C4' | N4' | C1' | C9 | 119.7° | 158.2° |
| C4' | N4' | C1' | H1' | 121.8° | 79.3° |
| H4' | C4' | N4' | C1' | 122.6° | 79.4° |
| H4' | C4' | N4' | HN4' | 1.4° | 40.1° |
| H4' | C4' | C3' | O3' | 0.6° | 23.9° |
| H4' | C4' | C3' | C2' | 118.6° | 95.0° |
| H4' | C4' | C3' | H3' | 120.8° | 146.0° |
| N4' | C1' | C2' | C3' | 5.4° | 23.8° |
| N4' | C1' | C2' | O2' | 107.9° | 142.7° |
| N4' | C1' | C2' | C9 | 113.5° | 118.9° |
| N4' | C1' | C2' | H1' | 116.2° | 118.7° |
| N4' | C1' | C2' | H2' | 129.7° | 95.1° |
| N4' | C1' | C9 | H1' | 119.0° | 122.4° |
| N4' | C1' | C9 | C8 | 60.2° | 23.6° |
| HN4' | N4' | C1' | C2' | 114.5° | 159.0° |
| HN4' | N4' | C1' | C9 | 119.1° | 82.2° |
| HN4' | N4' | C1' | H1' | 0.7° | 40.3° |
| O3' | C3' | C2' | H3' | 129.9° | 122.2° |
| O3' | C3' | C2' | O2' | 2.4° | 0.1° |
| O3' | C3' | C2' | C1' | 111.7° | 118.9° |
| O3' | C3' | C2' | H2' | 124.1° | 122.2° |
| C2' | C3' | O3' | HO3' | 68.6° | 64.4° |
| C3' | C2' | O2' | C1' | 118.3° | 115.7° |
| C3' | C2' | O2' | H2' | 120.5° | 122.1° |
| C3' | C2' | C1' | H2' | 124.3° | 118.9° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.4° |
| C3' | C2' | C1' | C9 | 108.1° | 142.6° |
| C3' | C2' | C1' | H1' | 121.7° | 95.0° |
| H3' | C3' | O3' | HO3' | 60.4° | 57.9° |
| H3' | C3' | C2' | O2' | 127.5° | 122.1° |
| H3' | C3' | C2' | C1' | 118.4° | 118.9° |
| H3' | C3' | C2' | H2' | 5.8° | 0.0° |
| O2' | C2' | C1' | H2' | 122.3° | 122.2° |
| O2' | C2' | C1' | C9 | 138.5° | 98.4° |
| O2' | C2' | C1' | H1' | 8.3° | 24.0° |
| C1' | C2' | O2' | HO2' | 61.7° | 177.1° |
| C2' | C1' | C9 | H1' | 130.0° | 122.3° |
| C2' | C1' | C9 | C8 | 171.2° | 91.7° |
| H2' | C2' | O2' | HO2' | 59.5° | 60.7° |
| H2' | C2' | C1' | C9 | 16.2° | 23.8° |
| H2' | C2' | C1' | H1' | 114.1° | 146.2° |
| C1' | C9 | C8 | N7 | 177.3° | 180.0° |
| C1' | C9 | C8 | H8 | 2.7° | 0.0° |
| H1' | C1' | C9 | C8 | 58.8° | 146.0° |
| C9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C9 | C8 | N7 | HN7 | 179.5° | 180.0° |
| H8 | C8 | N7 | HN7 | 0.5° | 0.0° |
