XYA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| O5' | H5' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.54Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.50Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.46Å | |
| C1' | N9 | sing | 1.47Å | 1.50Å | |
| C1' | C2' | sing | 1.54Å | 1.55Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.41Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.29Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.37Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | doub | 1.33Å | 1.38Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | H1 | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.40Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5' | O5' | H5' | 110.6° | 106.8° |
| O5' | C5' | C4' | 110.6° | 109.4° |
| O5' | C5' | H5'1 | 111.8° | 109.5° |
| O5' | C5' | H5'2 | 111.8° | 109.5° |
| C4' | C5' | H5'1 | 111.8° | 109.5° |
| C4' | C5' | H5'2 | 111.8° | 109.5° |
| C5' | C4' | O4' | 111.6° | 110.3° |
| C5' | C4' | C3' | 114.3° | 110.5° |
| C5' | C4' | H4' | 102.8° | 110.3° |
| H5'1 | C5' | H5'2 | 98.6° | 109.5° |
| O4' | C4' | C3' | 102.8° | 104.8° |
| O4' | C4' | H4' | 114.2° | 110.4° |
| C4' | O4' | C1' | 110.5° | 105.2° |
| C3' | C4' | H4' | 111.6° | 110.4° |
| C4' | C3' | C2' | 102.2° | 104.1° |
| C4' | C3' | O3' | 110.9° | 110.5° |
| C4' | C3' | H3' | 115.9° | 110.6° |
| O4' | C1' | N9 | 101.9° | 110.4° |
| O4' | C1' | C2' | 104.3° | 104.9° |
| O4' | C1' | H1' | 121.4° | 110.4° |
| N9 | C1' | C2' | 119.8° | 110.3° |
| N9 | C1' | H1' | 106.4° | 110.3° |
| C1' | N9 | C8 | 123.5° | 126.3° |
| C1' | N9 | C4 | 132.5° | 126.3° |
| C2' | C1' | H1' | 104.1° | 110.4° |
| C1' | C2' | O2' | 112.6° | 110.8° |
| C1' | C2' | C3' | 101.2° | 103.9° |
| C1' | C2' | H2' | 112.7° | 110.5° |
| C8 | N9 | C4 | 103.8° | 107.4° |
| N9 | C8 | N7 | 117.0° | 110.0° |
| N9 | C8 | H8 | 124.0° | 124.9° |
| N9 | C4 | C5 | 105.3° | 106.0° |
| N9 | C4 | N3 | 129.1° | 134.9° |
| N7 | C8 | H8 | 119.1° | 125.1° |
| C8 | N7 | C5 | 102.6° | 109.5° |
| N7 | C5 | C6 | 132.2° | 134.7° |
| N7 | C5 | C4 | 111.3° | 107.1° |
| C6 | C5 | C4 | 116.6° | 118.2° |
| C5 | C6 | N1 | 119.1° | 118.4° |
| C5 | C6 | N6 | 121.0° | 120.8° |
| C5 | C4 | N3 | 125.7° | 119.1° |
| N1 | C6 | N6 | 119.9° | 120.8° |
| C6 | N1 | C2 | 119.2° | 121.2° |
| C6 | N6 | HN61 | 108.1° | 120.0° |
| C6 | N6 | HN62 | 121.0° | 120.0° |
| N1 | C2 | N3 | 126.8° | 122.5° |
| N1 | C2 | H2 | 115.9° | 118.8° |
| N3 | C2 | H2 | 117.3° | 118.7° |
| C2 | N3 | C4 | 112.7° | 120.6° |
| HN61 | N6 | HN62 | 108.1° | 120.0° |
| O2' | C2' | C3' | 108.9° | 110.5° |
| O2' | C2' | H2' | 105.5° | 110.5° |
| C2' | O2' | H1 | 112.6° | 106.8° |
| C3' | C2' | H2' | 116.1° | 110.5° |
| C2' | C3' | O3' | 116.2° | 110.6° |
| C2' | C3' | H3' | 110.5° | 110.4° |
| O3' | C3' | H3' | 101.8° | 110.4° |
| C3' | O3' | H3 | 110.9° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 117.7° | 120.0° |
| O5' | C5' | C4' | O4' | 63.4° | 66.4° |
| O5' | C5' | C4' | C3' | 179.4° | 178.1° |
| O5' | C5' | C4' | H4' | 59.5° | 55.8° |
| H5' | O5' | C5' | C4' | 180.0° | 180.0° |
| H5' | O5' | C5' | H5'1 | 54.7° | 60.0° |
| H5' | O5' | C5' | H5'2 | 54.7° | 60.0° |
| C4' | C5' | H5'1 | H5'2 | 117.7° | 120.0° |
| C5' | C4' | O4' | C3' | 122.9° | 118.9° |
| C5' | C4' | O4' | H4' | 116.1° | 122.2° |
| C5' | C4' | C3' | H4' | 116.0° | 122.3° |
| C5' | C4' | O4' | C1' | 95.5° | 159.5° |
| C5' | C4' | C3' | C2' | 78.9° | 142.9° |
| C5' | C4' | C3' | O3' | 45.6° | 24.1° |
| C5' | C4' | C3' | H3' | 160.9° | 98.5° |
| H5'1 | C5' | C4' | O4' | 171.4° | 173.6° |
| H5'1 | C5' | C4' | C3' | 55.3° | 58.1° |
| H5'1 | C5' | C4' | H4' | 65.8° | 64.2° |
| H5'2 | C5' | C4' | O4' | 61.9° | 53.5° |
| H5'2 | C5' | C4' | C3' | 54.2° | 61.9° |
| H5'2 | C5' | C4' | H4' | 175.2° | 175.7° |
| O4' | C4' | C3' | H4' | 122.9° | 118.9° |
| C4' | O4' | C1' | N9 | 123.7° | 159.3° |
| C4' | O4' | C1' | C2' | 1.7° | 40.5° |
| C4' | O4' | C1' | H1' | 118.4° | 78.5° |
| O4' | C4' | C3' | C2' | 42.2° | 24.1° |
| O4' | C4' | C3' | O3' | 166.7° | 94.8° |
| O4' | C4' | C3' | H3' | 78.0° | 142.6° |
| C3' | C4' | O4' | C1' | 27.4° | 40.5° |
| C4' | C3' | C2' | C1' | 40.5° | 0.1° |
| C4' | C3' | C2' | O2' | 159.3° | 118.8° |
| C4' | C3' | C2' | O3' | 120.8° | 118.7° |
| C4' | C3' | C2' | H3' | 123.9° | 118.7° |
| C4' | C3' | C2' | H2' | 81.8° | 118.7° |
| C4' | C3' | O3' | H3' | 123.8° | 122.7° |
| C4' | C3' | O3' | H3 | 180.0° | 61.5° |
| H4' | C4' | O4' | C1' | 148.5° | 78.4° |
| H4' | C4' | C3' | C2' | 165.1° | 94.8° |
| H4' | C4' | C3' | O3' | 70.5° | 146.4° |
| H4' | C4' | C3' | H3' | 44.8° | 23.8° |
| O4' | C1' | N9 | C2' | 114.4° | 115.5° |
| O4' | C1' | N9 | H1' | 128.1° | 122.3° |
| O4' | C1' | C2' | H1' | 128.2° | 118.9° |
| O4' | C1' | N9 | C8 | 66.5° | 22.0° |
| O4' | C1' | N9 | C4 | 106.9° | 158.0° |
| O4' | C1' | C2' | O2' | 140.4° | 142.6° |
| O4' | C1' | C2' | C3' | 24.2° | 23.9° |
| O4' | C1' | C2' | H2' | 100.5° | 94.7° |
| N9 | C1' | C2' | H1' | 118.7° | 122.2° |
| C1' | N9 | C8 | C4 | 175.0° | 180.0° |
| C1' | N9 | C8 | N7 | 174.5° | 180.0° |
| C1' | N9 | C8 | H8 | 5.5° | 0.0° |
| C1' | N9 | C4 | C5 | 173.7° | 179.8° |
| C1' | N9 | C4 | N3 | 5.8° | 0.0° |
| N9 | C1' | C2' | O2' | 106.5° | 98.6° |
| N9 | C1' | C2' | C3' | 137.3° | 142.8° |
| N9 | C1' | C2' | H2' | 12.6° | 24.2° |
| C2' | C1' | N9 | C8 | 179.1° | 93.5° |
| C2' | C1' | N9 | C4 | 7.5° | 86.5° |
| C1' | C2' | O2' | C3' | 111.5° | 114.6° |
| C1' | C2' | O2' | H2' | 123.2° | 122.8° |
| C1' | C2' | C3' | H2' | 122.3° | 118.5° |
| C1' | C2' | O2' | H1 | 180.0° | 176.1° |
| C1' | C2' | C3' | O3' | 161.3° | 118.6° |
| C1' | C2' | C3' | H3' | 83.4° | 118.8° |
| H1' | C1' | N9 | C8 | 61.6° | 144.3° |
| H1' | C1' | N9 | C4 | 125.0° | 35.7° |
| H1' | C1' | C2' | O2' | 12.2° | 23.6° |
| H1' | C1' | C2' | C3' | 104.0° | 95.1° |
| H1' | C1' | C2' | H2' | 131.3° | 146.4° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.2° | 0.2° |
| C8 | N9 | C4 | C5 | 0.6° | 0.2° |
| C8 | N9 | C4 | N3 | 179.8° | 180.0° |
| C4 | N9 | C8 | N7 | 0.5° | 0.0° |
| C4 | N9 | C8 | H8 | 179.5° | 180.0° |
| N9 | C4 | C5 | N7 | 0.5° | 0.4° |
| N9 | C4 | C5 | C6 | 179.4° | 179.7° |
| N9 | C4 | C5 | N3 | 179.6° | 179.8° |
| N9 | C4 | N3 | C2 | 179.4° | 180.0° |
| C8 | N7 | C5 | C6 | 179.6° | 179.5° |
| C8 | N7 | C5 | C4 | 0.2° | 0.4° |
| H8 | C8 | N7 | C5 | 179.8° | 179.8° |
| N7 | C5 | C6 | C4 | 179.9° | 179.1° |
| N7 | C5 | C6 | N1 | 179.9° | 179.5° |
| N7 | C5 | C6 | N6 | 0.2° | 0.7° |
| N7 | C5 | C4 | N3 | 179.9° | 179.8° |
| C5 | C6 | N1 | N6 | 179.9° | 179.8° |
| C5 | C6 | N1 | C2 | 0.1° | 0.2° |
| C6 | C5 | C4 | N3 | 0.2° | 0.5° |
| C5 | C6 | N6 | HN61 | 54.7° | 179.8° |
| C5 | C6 | N6 | HN62 | 180.0° | 0.5° |
| C4 | C5 | C6 | N1 | 0.2° | 0.5° |
| C4 | C5 | C6 | N6 | 179.7° | 179.7° |
| C5 | C4 | N3 | C2 | 0.1° | 0.2° |
| C6 | N1 | C2 | N3 | 0.1° | 0.1° |
| C6 | N1 | C2 | H2 | 179.9° | 180.0° |
| N1 | C6 | N6 | HN61 | 125.2° | 0.1° |
| N1 | C6 | N6 | HN62 | 0.1° | 179.6° |
| N6 | C6 | N1 | C2 | 179.9° | 180.0° |
| C6 | N6 | HN61 | HN62 | 132.6° | 179.7° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.1° | 0.1° |
| H2 | C2 | N3 | C4 | 179.9° | 180.0° |
| O2' | C2' | C3' | H2' | 118.8° | 122.6° |
| O2' | C2' | C3' | O3' | 79.8° | 122.5° |
| O2' | C2' | C3' | H3' | 35.4° | 0.1° |
| C3' | C2' | O2' | H1 | 68.5° | 61.5° |
| C2' | C3' | O3' | H3' | 120.1° | 122.6° |
| C2' | C3' | O3' | H3 | 63.9° | 176.2° |
| H2' | C2' | O2' | H1 | 56.8° | 61.1° |
| H2' | C2' | C3' | O3' | 39.0° | 0.1° |
| H2' | C2' | C3' | H3' | 154.3° | 122.7° |
| H3' | C3' | O3' | H3 | 56.2° | 61.2° |
