OAH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2P | P | doub | 1.48Å | 1.61Å | |
| O3P | P | sing | 1.61Å | 1.48Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| P | O1P | sing | 1.61Å | 1.61Å | |
| C2 | N1 | doub | 1.32Å | 1.32Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.33Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | N9 | sing | 1.46Å | 1.48Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O1P | HO1P | sing | 0.97Å | 0.95Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2P | P | O3P | 113.0° | 109.5° |
| O2P | P | O5' | 106.1° | 109.5° |
| O2P | P | O1P | 105.9° | 109.5° |
| O3P | P | O5' | 112.7° | 109.5° |
| O3P | P | O1P | 112.8° | 109.5° |
| P | O3P | HO3P | 109.5° | 114.0° |
| O5' | P | O1P | 105.7° | 109.4° |
| P | O5' | C5' | 119.9° | 123.0° |
| P | O1P | HO1P | 109.5° | 114.0° |
| C2 | N1 | C6 | 121.0° | 121.1° |
| N1 | C2 | N3 | 121.7° | 122.5° |
| N1 | C2 | H2 | 119.2° | 118.7° |
| N1 | C6 | C5 | 119.0° | 118.5° |
| N1 | C6 | N6 | 120.5° | 120.8° |
| N3 | C2 | H2 | 119.2° | 118.8° |
| C2 | N3 | C4 | 120.5° | 120.7° |
| N3 | C4 | N9 | 133.4° | 135.0° |
| N3 | C4 | C5 | 119.5° | 119.0° |
| N9 | C4 | C5 | 107.1° | 106.0° |
| C4 | N9 | C8 | 108.0° | 107.5° |
| C4 | N9 | C1' | 125.5° | 126.3° |
| C4 | C5 | C6 | 118.3° | 118.1° |
| C4 | C5 | N7 | 107.4° | 107.2° |
| C6 | C5 | N7 | 134.3° | 134.7° |
| C5 | C6 | N6 | 120.5° | 120.7° |
| C5 | N7 | C8 | 107.8° | 109.4° |
| C6 | N6 | HN6 | 109.5° | 119.9° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| HN6 | N6 | HN6A | 109.4° | 120.0° |
| N7 | C8 | N9 | 109.6° | 110.0° |
| N7 | C8 | H8 | 125.2° | 125.0° |
| N9 | C8 | H8 | 125.2° | 125.0° |
| C8 | N9 | C1' | 126.5° | 126.3° |
| N9 | C1' | O4' | 111.5° | 109.9° |
| N9 | C1' | C2' | 114.2° | 109.9° |
| N9 | C1' | H1' | 102.7° | 109.9° |
| O4' | C1' | C2' | 101.5° | 107.3° |
| O4' | C1' | H1' | 115.1° | 110.0° |
| C1' | O4' | C4' | 104.8° | 107.0° |
| C2' | C1' | H1' | 112.5° | 109.9° |
| C1' | C2' | C3' | 97.8° | 104.2° |
| C1' | C2' | H2' | 113.6° | 110.5° |
| C1' | C2' | H2'A | 113.6° | 110.5° |
| C3' | C2' | H2' | 113.6° | 110.5° |
| C3' | C2' | H2'A | 113.6° | 110.6° |
| C2' | C3' | C4' | 103.1° | 102.1° |
| C2' | C3' | O3' | 110.7° | 110.9° |
| C2' | C3' | H3' | 113.0° | 110.9° |
| H2' | C2' | H2'A | 105.1° | 110.4° |
| C4' | C3' | O3' | 109.9° | 110.9° |
| C4' | C3' | H3' | 113.6° | 111.0° |
| C3' | C4' | C5' | 109.1° | 110.6° |
| C3' | C4' | O4' | 106.1° | 103.5° |
| C3' | C4' | H4' | 112.2° | 110.6° |
| O3' | C3' | H3' | 106.5° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C5' | C4' | O4' | 110.2° | 110.6° |
| C5' | C4' | H4' | 108.2° | 110.7° |
| C4' | C5' | O5' | 111.0° | 109.5° |
| C4' | C5' | H5' | 109.0° | 109.4° |
| C4' | C5' | H5'A | 108.9° | 109.5° |
| O4' | C4' | H4' | 111.0° | 110.6° |
| O5' | C5' | H5' | 108.9° | 109.5° |
| O5' | C5' | H5'A | 108.9° | 109.5° |
| H5' | C5' | H5'A | 110.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2P | P | O3P | O5' | 120.3° | 120.0° |
| O2P | P | O3P | O1P | 120.1° | 120.0° |
| O2P | P | O5' | O1P | 112.2° | 120.0° |
| O2P | P | O1P | HO1P | 0.0° | 180.0° |
| O2P | P | O3P | HO3P | 0.0° | 60.0° |
| O2P | P | O5' | C5' | 65.8° | 55.0° |
| O3P | P | O5' | O1P | 123.6° | 120.0° |
| O3P | P | O1P | HO1P | 124.1° | 60.0° |
| O3P | P | O5' | C5' | 170.0° | 175.0° |
| O5' | P | O1P | HO1P | 112.3° | 60.1° |
| O5' | P | O3P | HO3P | 120.3° | 180.0° |
| P | O5' | C5' | C4' | 175.4° | 180.0° |
| P | O5' | C5' | H5' | 55.4° | 60.0° |
| P | O5' | C5' | H5'A | 64.6° | 60.0° |
| O1P | P | O3P | HO3P | 120.1° | 60.0° |
| O1P | P | O5' | C5' | 46.4° | 65.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| C2 | N1 | C6 | N6 | 179.2° | 180.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.0° |
| C6 | N1 | C2 | H2 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.2° | 0.0° |
| N1 | C6 | C5 | N6 | 179.4° | 180.0° |
| N1 | C6 | C5 | N7 | 180.0° | 180.0° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.0° |
| N1 | C6 | N6 | HN6A | 120.0° | 180.0° |
| C2 | N3 | C4 | N9 | 179.8° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| H2 | C2 | N3 | C4 | 180.0° | 180.0° |
| N3 | C4 | N9 | C5 | 179.8° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | C5 | N7 | 180.0° | 180.0° |
| N3 | C4 | N9 | C8 | 179.9° | 180.0° |
| N3 | C4 | N9 | C1' | 1.0° | 0.1° |
| N9 | C4 | C5 | C6 | 179.7° | 180.0° |
| N9 | C4 | C5 | N7 | 0.1° | 0.0° |
| C4 | N9 | C8 | N7 | 0.3° | 0.0° |
| C4 | N9 | C8 | C1' | 179.0° | 180.0° |
| C4 | N9 | C8 | H8 | 179.7° | 180.0° |
| C4 | N9 | C1' | O4' | 33.2° | 157.1° |
| C4 | N9 | C1' | C2' | 147.5° | 85.0° |
| C4 | N9 | C1' | H1' | 90.5° | 36.0° |
| C4 | C5 | C6 | N7 | 179.8° | 180.0° |
| C4 | C5 | C6 | N6 | 179.2° | 180.0° |
| C4 | C5 | N7 | C8 | 0.0° | 0.0° |
| C5 | C4 | N9 | C8 | 0.3° | 0.0° |
| C5 | C4 | N9 | C1' | 178.8° | 180.0° |
| C5 | C6 | N6 | HN6 | 179.3° | 180.0° |
| C5 | C6 | N6 | HN6A | 59.3° | 0.0° |
| C6 | C5 | N7 | C8 | 179.9° | 180.0° |
| N7 | C5 | C6 | N6 | 0.6° | 0.1° |
| C5 | N7 | C8 | N9 | 0.2° | 0.0° |
| C5 | N7 | C8 | H8 | 179.8° | 180.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 178.8° | 180.0° |
| C8 | N9 | C1' | O4' | 147.9° | 22.9° |
| C8 | N9 | C1' | C2' | 33.6° | 95.0° |
| C8 | N9 | C1' | H1' | 88.4° | 144.0° |
| H8 | C8 | N9 | C1' | 1.2° | 0.0° |
| N9 | C1' | O4' | C2' | 121.9° | 119.4° |
| N9 | C1' | O4' | H1' | 116.4° | 121.1° |
| N9 | C1' | C2' | H1' | 116.4° | 121.0° |
| N9 | C1' | C2' | C3' | 170.6° | 117.4° |
| N9 | C1' | C2' | H2' | 50.6° | 1.3° |
| N9 | C1' | C2' | H2'A | 69.4° | 123.8° |
| N9 | C1' | O4' | C4' | 168.4° | 92.9° |
| O4' | C1' | C2' | H1' | 123.5° | 119.5° |
| O4' | C1' | C2' | C3' | 50.5° | 2.1° |
| O4' | C1' | C2' | H2' | 69.5° | 120.8° |
| O4' | C1' | C2' | H2'A | 170.5° | 116.7° |
| C1' | O4' | C4' | C3' | 22.6° | 40.1° |
| C1' | O4' | C4' | C5' | 95.4° | 158.6° |
| C1' | O4' | C4' | H4' | 144.7° | 78.4° |
| C1' | C2' | C3' | H2' | 120.0° | 118.7° |
| C1' | C2' | C3' | H2'A | 120.0° | 118.7° |
| C1' | C2' | H2' | H2'A | 124.7° | 122.5° |
| C1' | C2' | C3' | C4' | 35.7° | 20.9° |
| C1' | C2' | C3' | O3' | 81.9° | 97.3° |
| C1' | C2' | C3' | H3' | 158.8° | 139.1° |
| C2' | C1' | O4' | C4' | 46.4° | 26.6° |
| H1' | C1' | C2' | C3' | 73.0° | 121.6° |
| H1' | C1' | C2' | H2' | 167.0° | 119.7° |
| H1' | C1' | C2' | H2'A | 47.0° | 2.8° |
| H1' | C1' | O4' | C4' | 75.3° | 146.1° |
| C3' | C2' | H2' | H2'A | 124.7° | 122.7° |
| C2' | C3' | C4' | O3' | 118.1° | 118.2° |
| C2' | C3' | C4' | H3' | 122.6° | 118.2° |
| C2' | C3' | O3' | H3' | 123.2° | 123.6° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | C5' | 128.6° | 155.5° |
| C2' | C3' | C4' | O4' | 9.9° | 37.0° |
| C2' | C3' | C4' | H4' | 111.6° | 81.5° |
| H2' | C2' | C3' | C4' | 84.3° | 97.8° |
| H2' | C2' | C3' | O3' | 158.1° | 144.0° |
| H2' | C2' | C3' | H3' | 38.8° | 20.4° |
| H2'A | C2' | C3' | C4' | 155.7° | 139.6° |
| H2'A | C2' | C3' | O3' | 38.1° | 21.4° |
| H2'A | C2' | C3' | H3' | 81.2° | 102.1° |
| C4' | C3' | O3' | H3' | 123.5° | 123.7° |
| C4' | C3' | O3' | HO3' | 66.7° | 174.1° |
| C3' | C4' | C5' | O4' | 116.1° | 114.0° |
| C3' | C4' | C5' | H4' | 122.3° | 123.0° |
| C3' | C4' | O4' | H4' | 122.1° | 118.5° |
| C3' | C4' | C5' | O5' | 62.5° | 175.0° |
| C3' | C4' | C5' | H5' | 57.5° | 55.0° |
| C3' | C4' | C5' | H5'A | 177.5° | 64.9° |
| O3' | C3' | C4' | C5' | 10.5° | 37.3° |
| O3' | C3' | C4' | O4' | 108.2° | 81.1° |
| O3' | C3' | C4' | H4' | 130.4° | 160.3° |
| H3' | C3' | O3' | HO3' | 56.9° | 62.2° |
| H3' | C3' | C4' | C5' | 108.8° | 86.3° |
| H3' | C3' | C4' | O4' | 132.5° | 155.3° |
| H3' | C3' | C4' | H4' | 11.1° | 36.7° |
| C5' | C4' | O4' | H4' | 119.9° | 123.0° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.1° |
| C4' | C5' | H5' | H5'A | 119.4° | 120.0° |
| O4' | C4' | C5' | O5' | 178.6° | 71.0° |
| O4' | C4' | C5' | H5' | 58.6° | 169.1° |
| O4' | C4' | C5' | H5'A | 61.4° | 49.1° |
| H4' | C4' | C5' | O5' | 59.8° | 52.0° |
| H4' | C4' | C5' | H5' | 179.8° | 68.0° |
| H4' | C4' | C5' | H5'A | 60.2° | 172.1° |
| O5' | C5' | H5' | H5'A | 119.4° | 120.0° |
