2IA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| I | C2' | sing | 2.16Å | 2.18Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| P | O3P | sing | 1.61Å | 1.48Å | |
| N1 | C6 | sing | 1.33Å | 1.36Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.36Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| C1' | N9 | sing | 1.46Å | 1.51Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O2P | P | sing | 1.61Å | 1.48Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| P | O1P | doub | 1.48Å | 1.72Å | |
| C4' | H1 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| I | C2' | C1' | 109.5° | 110.9° |
| I | C2' | C3' | 112.7° | 110.9° |
| I | C2' | H2' | 105.3° | 110.8° |
| O5' | P | O3P | 108.0° | 109.5° |
| O5' | P | O2P | 108.3° | 109.5° |
| P | O5' | C5' | 126.6° | 123.0° |
| O5' | P | O1P | 111.4° | 109.5° |
| O3P | P | O2P | 119.1° | 109.5° |
| P | O3P | HO3P | 109.5° | 114.0° |
| O3P | P | O1P | 94.9° | 109.5° |
| C6 | N1 | C2 | 120.9° | 121.2° |
| N1 | C6 | C5 | 119.3° | 118.4° |
| N1 | C6 | N6 | 120.0° | 120.8° |
| N1 | C2 | H2 | 119.6° | 118.8° |
| N1 | C2 | N3 | 120.8° | 122.5° |
| H2 | C2 | N3 | 119.6° | 118.7° |
| C2 | N3 | C4 | 120.8° | 120.6° |
| N3 | C4 | C5 | 119.4° | 119.1° |
| N3 | C4 | N9 | 132.6° | 134.9° |
| C4 | C5 | N7 | 107.2° | 107.1° |
| C4 | C5 | C6 | 118.8° | 118.2° |
| C5 | C4 | N9 | 108.0° | 106.0° |
| N7 | C5 | C6 | 134.0° | 134.7° |
| C5 | N7 | C8 | 107.8° | 109.5° |
| C5 | C6 | N6 | 120.8° | 120.8° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.4° | 120.0° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
| N7 | C8 | H8 | 125.4° | 125.1° |
| N7 | C8 | N9 | 109.3° | 110.0° |
| H8 | C8 | N9 | 125.3° | 125.0° |
| C4 | N9 | C8 | 107.7° | 107.4° |
| C4 | N9 | C1' | 123.1° | 126.3° |
| C8 | N9 | C1' | 129.3° | 126.3° |
| N9 | C1' | C2' | 112.3° | 110.6° |
| N9 | C1' | H1' | 106.7° | 110.5° |
| N9 | C1' | O4' | 109.8° | 110.7° |
| C2' | C1' | H1' | 109.2° | 110.6° |
| C1' | C2' | C3' | 102.5° | 102.1° |
| C1' | C2' | H2' | 115.0° | 110.9° |
| C2' | C1' | O4' | 107.3° | 103.5° |
| H1' | C1' | O4' | 111.7° | 110.8° |
| P | O2P | HO2P | 109.5° | 114.0° |
| O2P | P | O1P | 114.6° | 109.5° |
| C3' | C2' | H2' | 112.1° | 110.9° |
| C2' | C3' | O3' | 115.8° | 110.5° |
| C2' | C3' | H3' | 109.2° | 110.5° |
| C2' | C3' | C4' | 106.3° | 104.1° |
| O3' | C3' | H3' | 100.3° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O3' | C3' | C4' | 114.2° | 110.5° |
| H3' | C3' | C4' | 111.0° | 110.6° |
| C3' | C4' | C5' | 119.1° | 109.9° |
| C3' | C4' | O4' | 106.1° | 107.3° |
| C3' | C4' | H1 | 105.8° | 109.9° |
| C5' | C4' | O4' | 111.0° | 109.9° |
| C4' | C5' | H5' | 109.2° | 109.5° |
| C4' | C5' | H5'A | 109.2° | 109.4° |
| C4' | C5' | O5' | 110.4° | 109.5° |
| C5' | C4' | H1 | 100.3° | 109.9° |
| C1' | O4' | C4' | 110.5° | 107.0° |
| O4' | C4' | H1 | 114.8° | 110.0° |
| H5' | C5' | H5'A | 109.8° | 109.5° |
| H5' | C5' | O5' | 109.2° | 109.5° |
| H5'A | C5' | O5' | 109.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| I | C2' | C1' | N9 | 146.9° | 86.2° |
| I | C2' | C1' | C3' | 119.8° | 118.2° |
| I | C2' | C1' | H2' | 118.3° | 123.6° |
| I | C2' | C1' | H1' | 28.8° | 36.5° |
| I | C2' | C3' | H2' | 118.5° | 123.6° |
| I | C2' | C3' | O3' | 33.5° | 20.5° |
| I | C2' | C3' | H3' | 145.7° | 102.1° |
| I | C2' | C3' | C4' | 94.5° | 139.1° |
| I | C2' | C1' | O4' | 92.4° | 155.2° |
| O5' | P | O3P | O2P | 123.9° | 120.0° |
| O5' | P | O3P | O1P | 114.4° | 120.0° |
| O5' | P | O2P | O1P | 125.0° | 120.0° |
| O5' | P | O2P | HO2P | 125.0° | 60.0° |
| O5' | P | O3P | HO3P | 114.3° | 180.0° |
| P | O5' | C5' | C4' | 108.0° | 180.0° |
| P | O5' | C5' | H5' | 131.9° | 60.0° |
| P | O5' | C5' | H5'A | 11.9° | 60.0° |
| O3P | P | O2P | O1P | 111.2° | 120.0° |
| O3P | P | O2P | HO2P | 111.2° | 60.1° |
| O3P | P | O5' | C5' | 14.5° | 175.0° |
| C6 | N1 | C2 | H2 | 179.9° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | N7 | 179.9° | 179.9° |
| N1 | C6 | C5 | N6 | 180.0° | 180.0° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.0° |
| N1 | C6 | N6 | HN6A | 120.0° | 180.0° |
| N1 | C2 | H2 | N3 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| C2 | N1 | C6 | N6 | 180.0° | 180.0° |
| H2 | C2 | N3 | C4 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| C2 | N3 | C4 | N9 | 179.8° | 180.0° |
| N3 | C4 | C5 | N9 | 179.9° | 180.0° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.1° |
| N3 | C4 | N9 | C8 | 179.8° | 180.0° |
| N3 | C4 | N9 | C1' | 0.3° | 0.0° |
| C4 | C5 | N7 | C6 | 179.8° | 179.9° |
| C4 | C5 | C6 | N6 | 179.9° | 180.0° |
| C4 | C5 | N7 | C8 | 0.2° | 0.0° |
| C5 | C4 | N9 | C8 | 0.1° | 0.0° |
| C5 | C4 | N9 | C1' | 179.5° | 180.0° |
| N7 | C5 | C6 | N6 | 0.1° | 0.1° |
| C5 | N7 | C8 | H8 | 179.8° | 179.9° |
| N7 | C5 | C4 | N9 | 0.1° | 0.0° |
| C5 | N7 | C8 | N9 | 0.2° | 0.0° |
| C5 | C6 | N6 | HN6 | 180.0° | 179.9° |
| C5 | C6 | N6 | HN6A | 60.0° | 0.0° |
| C6 | C5 | N7 | C8 | 179.7° | 179.9° |
| C6 | C5 | C4 | N9 | 179.8° | 179.9° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| N7 | C8 | H8 | N9 | 180.0° | 179.9° |
| N7 | C8 | N9 | C4 | 0.2° | 0.0° |
| N7 | C8 | N9 | C1' | 179.6° | 180.0° |
| H8 | C8 | N9 | C4 | 179.8° | 180.0° |
| H8 | C8 | N9 | C1' | 0.4° | 0.1° |
| C4 | N9 | C8 | C1' | 179.4° | 179.9° |
| C4 | N9 | C1' | C2' | 57.8° | 85.0° |
| C4 | N9 | C1' | H1' | 61.8° | 37.8° |
| C4 | N9 | C1' | O4' | 177.0° | 160.9° |
| C8 | N9 | C1' | C2' | 121.5° | 95.1° |
| C8 | N9 | C1' | H1' | 118.9° | 142.1° |
| C8 | N9 | C1' | O4' | 2.3° | 19.0° |
| N9 | C1' | C2' | H1' | 118.1° | 122.8° |
| N9 | C1' | C2' | O4' | 120.7° | 118.5° |
| N9 | C1' | H1' | O4' | 119.9° | 123.1° |
| N9 | C1' | C2' | C3' | 93.3° | 155.5° |
| N9 | C1' | C2' | H2' | 28.6° | 37.3° |
| N9 | C1' | O4' | C4' | 100.5° | 158.5° |
| C2' | C1' | H1' | O4' | 118.5° | 114.1° |
| C1' | C2' | C3' | H2' | 123.9° | 118.2° |
| C1' | C2' | C3' | O3' | 151.1° | 97.8° |
| C1' | C2' | C3' | H3' | 96.7° | 139.7° |
| C1' | C2' | C3' | C4' | 23.1° | 20.9° |
| C2' | C1' | O4' | C4' | 21.8° | 40.0° |
| H1' | C1' | C2' | C3' | 148.6° | 81.7° |
| H1' | C1' | C2' | H2' | 89.5° | 160.1° |
| H1' | C1' | O4' | C4' | 141.4° | 78.5° |
| O2P | P | O3P | HO3P | 121.7° | 60.0° |
| O2P | P | O5' | C5' | 144.7° | 65.0° |
| HO2P | O2P | P | O1P | 0.0° | 179.9° |
| C2' | C3' | O3' | H3' | 117.3° | 122.6° |
| C2' | C3' | O3' | C4' | 124.0° | 114.7° |
| C2' | C3' | H3' | C4' | 116.8° | 114.8° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | C5' | 137.1° | 121.5° |
| C3' | C2' | C1' | O4' | 27.4° | 37.0° |
| C2' | C3' | C4' | O4' | 11.2° | 2.0° |
| C2' | C3' | C4' | H1 | 111.1° | 117.5° |
| H2' | C2' | C3' | O3' | 85.1° | 144.0° |
| H2' | C2' | C3' | H3' | 27.2° | 21.5° |
| H2' | C2' | C3' | C4' | 146.9° | 97.3° |
| H2' | C2' | C1' | O4' | 149.2° | 81.2° |
| HO3P | O3P | P | O1P | 0.0° | 60.0° |
| O3' | C3' | H3' | C4' | 121.1° | 122.7° |
| O3' | C3' | C4' | C5' | 93.9° | 119.9° |
| O3' | C3' | C4' | O4' | 140.2° | 120.7° |
| O3' | C3' | C4' | H1 | 17.8° | 1.1° |
| H3' | C3' | O3' | HO3' | 62.7° | 61.1° |
| H3' | C3' | C4' | C5' | 18.5° | 2.8° |
| H3' | C3' | C4' | O4' | 107.4° | 116.7° |
| H3' | C3' | C4' | H1 | 130.3° | 123.8° |
| HO3' | O3' | C3' | C4' | 56.0° | 176.2° |
| C3' | C4' | C5' | O4' | 123.5° | 117.9° |
| C3' | C4' | C5' | H1 | 114.7° | 121.0° |
| C3' | C4' | O4' | C1' | 6.4° | 26.5° |
| C3' | C4' | O4' | H1 | 116.4° | 119.5° |
| C3' | C4' | C5' | H5' | 58.3° | 55.0° |
| C3' | C4' | C5' | H5'A | 61.7° | 65.0° |
| C3' | C4' | C5' | O5' | 178.4° | 175.0° |
| C5' | C4' | O4' | C1' | 124.3° | 145.9° |
| C5' | C4' | O4' | H1 | 112.9° | 121.1° |
| C4' | C5' | H5' | H5'A | 119.6° | 119.9° |
| C4' | C5' | H5' | O5' | 120.8° | 120.0° |
| C4' | C5' | H5'A | O5' | 120.8° | 120.0° |
| C1' | O4' | C4' | H1 | 122.9° | 93.0° |
| O4' | C4' | C5' | H5' | 178.1° | 172.8° |
| O4' | C4' | C5' | H5'A | 61.9° | 52.9° |
| O4' | C4' | C5' | O5' | 58.1° | 67.1° |
| H5' | C5' | H5'A | O5' | 119.6° | 120.0° |
| H5' | C5' | C4' | H1 | 56.4° | 66.0° |
| H5'A | C5' | C4' | H1 | 176.3° | 174.0° |
| C5' | O5' | P | O1P | 88.4° | 55.0° |
| O5' | C5' | C4' | H1 | 63.7° | 54.0° |
