IRP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | sing | 1.61Å | 1.48Å | |
| P | O2P | sing | 1.61Å | 1.46Å | |
| P | O3P | doub | 1.48Å | 1.48Å | |
| P | O5' | sing | 1.61Å | 1.55Å | |
| O1P | HO1 | sing | 0.97Å | 0.95Å | |
| O2P | HO2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.48Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | N4' | sing | 1.48Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.50Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| N4' | C1' | sing | 1.48Å | 1.42Å | |
| N4' | HN'4 | sing | 1.01Å | 1.02Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.50Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO'3 | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.55Å | 1.55Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | HO'2 | sing | 0.97Å | 0.95Å | |
| C1' | C9 | sing | 1.51Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| C9 | C8 | doub | 1.35Å | 1.40Å | Aromatic |
| C9 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | N7 | sing | 1.36Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| N7 | H7 | sing | 0.97Å | 1.02Å | |
| C4 | N3 | sing | 1.35Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| O6 | C6 | doub | 1.22Å | 1.24Å | |
| C6 | N1 | sing | 1.35Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.43Å | Aromatic |
| N1 | C2 | sing | 1.36Å | 1.41Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.02Å | |
| C2 | N3 | doub | 1.30Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 113.5° | 109.5° |
| O1P | P | O3P | 109.3° | 109.5° |
| O1P | P | O5' | 107.9° | 109.5° |
| P | O1P | HO1 | 113.5° | 106.8° |
| O2P | P | O3P | 113.0° | 109.5° |
| O2P | P | O5' | 110.9° | 109.5° |
| P | O2P | HO2 | 113.6° | 106.8° |
| O3P | P | O5' | 101.5° | 109.5° |
| P | O5' | C5' | 128.1° | 106.8° |
| O5' | C5' | C4' | 106.4° | 109.6° |
| O5' | C5' | H5'1 | 113.4° | 109.5° |
| O5' | C5' | H5'2 | 113.4° | 109.5° |
| C4' | C5' | H5'1 | 113.4° | 109.5° |
| C4' | C5' | H5'2 | 113.3° | 109.5° |
| C5' | C4' | N4' | 110.8° | 110.1° |
| C5' | C4' | C3' | 109.8° | 110.0° |
| C5' | C4' | H4' | 108.4° | 109.9° |
| H5'1 | C5' | H5'2 | 97.1° | 109.4° |
| N4' | C4' | C3' | 109.3° | 107.1° |
| N4' | C4' | H4' | 108.8° | 109.9° |
| C4' | N4' | C1' | 113.5° | 105.8° |
| C4' | N4' | HN'4 | 110.7° | 106.7° |
| C3' | C4' | H4' | 109.8° | 109.9° |
| C4' | C3' | O3' | 106.7° | 110.4° |
| C4' | C3' | C2' | 103.3° | 105.2° |
| C4' | C3' | H3' | 116.8° | 110.3° |
| C1' | N4' | HN'4 | 110.8° | 106.7° |
| N4' | C1' | C2' | 102.9° | 103.2° |
| N4' | C1' | C9 | 107.2° | 110.7° |
| N4' | C1' | H1' | 114.8° | 110.7° |
| O3' | C3' | C2' | 113.9° | 110.3° |
| O3' | C3' | H3' | 106.6° | 110.2° |
| C3' | O3' | HO'3 | 106.7° | 106.8° |
| C2' | C3' | H3' | 109.9° | 110.3° |
| C3' | C2' | O2' | 111.6° | 110.9° |
| C3' | C2' | C1' | 110.2° | 102.8° |
| C3' | C2' | H2' | 107.7° | 110.8° |
| O2' | C2' | C1' | 109.9° | 110.7° |
| O2' | C2' | H2' | 108.0° | 110.6° |
| C2' | O2' | HO'2 | 111.6° | 106.8° |
| C1' | C2' | H2' | 109.4° | 110.8° |
| C2' | C1' | C9 | 109.0° | 110.7° |
| C2' | C1' | H1' | 113.2° | 110.7° |
| C9 | C1' | H1' | 109.3° | 110.6° |
| C1' | C9 | C8 | 125.7° | 126.1° |
| C1' | C9 | C4 | 130.7° | 126.1° |
| C8 | C9 | C4 | 103.6° | 107.8° |
| C9 | C8 | N7 | 115.3° | 109.5° |
| C9 | C8 | H8 | 125.8° | 125.3° |
| C9 | C4 | N3 | 128.1° | 134.0° |
| C9 | C4 | C5 | 105.8° | 106.7° |
| N7 | C8 | H8 | 118.8° | 125.3° |
| C8 | N7 | C5 | 104.4° | 108.8° |
| C8 | N7 | H7 | 125.2° | 125.7° |
| C5 | N7 | H7 | 130.5° | 125.5° |
| N7 | C5 | C4 | 110.8° | 107.3° |
| N7 | C5 | C6 | 129.1° | 134.2° |
| N3 | C4 | C5 | 126.1° | 119.4° |
| C4 | N3 | C2 | 113.9° | 121.0° |
| C4 | C5 | C6 | 120.0° | 118.5° |
| O6 | C6 | N1 | 120.4° | 120.7° |
| O6 | C6 | C5 | 126.7° | 120.8° |
| N1 | C6 | C5 | 112.9° | 118.5° |
| C6 | N1 | C2 | 124.7° | 120.5° |
| C6 | N1 | H1 | 117.8° | 119.8° |
| C2 | N1 | H1 | 117.6° | 119.7° |
| N1 | C2 | N3 | 122.3° | 122.1° |
| N1 | C2 | H2 | 120.3° | 118.9° |
| N3 | C2 | H2 | 117.4° | 118.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 125.2° | 120.0° |
| O1P | P | O2P | O5' | 121.6° | 120.0° |
| O1P | P | O3P | O5' | 113.8° | 120.0° |
| O1P | P | O2P | HO2 | 180.0° | 60.0° |
| O1P | P | O5' | C5' | 20.3° | 180.0° |
| O2P | P | O3P | O5' | 118.7° | 120.0° |
| O2P | P | O1P | HO1 | 180.0° | 60.0° |
| O2P | P | O5' | C5' | 104.6° | 60.1° |
| O3P | P | O1P | HO1 | 52.9° | 60.0° |
| O3P | P | O2P | HO2 | 54.8° | 180.0° |
| O3P | P | O5' | C5' | 135.1° | 60.0° |
| O5' | P | O1P | HO1 | 56.7° | 180.0° |
| O5' | P | O2P | HO2 | 58.3° | 60.0° |
| P | O5' | C5' | C4' | 152.1° | 180.0° |
| P | O5' | C5' | H5'1 | 82.7° | 60.0° |
| P | O5' | C5' | H5'2 | 26.9° | 59.9° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.2° | 120.1° |
| O5' | C5' | H5'1 | H5'2 | 119.3° | 120.0° |
| O5' | C5' | C4' | N4' | 55.7° | 62.3° |
| O5' | C5' | C4' | C3' | 176.6° | 179.9° |
| O5' | C5' | C4' | H4' | 63.5° | 58.8° |
| C4' | C5' | H5'1 | H5'2 | 119.3° | 119.9° |
| C5' | C4' | N4' | C3' | 121.1° | 119.5° |
| C5' | C4' | N4' | H4' | 119.0° | 121.2° |
| C5' | C4' | C3' | H4' | 119.0° | 121.1° |
| C5' | C4' | N4' | C1' | 112.5° | 144.9° |
| C5' | C4' | N4' | HN'4 | 12.8° | 101.8° |
| C5' | C4' | C3' | O3' | 126.5° | 120.3° |
| C5' | C4' | C3' | C2' | 113.1° | 120.8° |
| C5' | C4' | C3' | H3' | 7.5° | 1.8° |
| H5'1 | C5' | C4' | N4' | 69.5° | 177.6° |
| H5'1 | C5' | C4' | C3' | 51.3° | 59.9° |
| H5'1 | C5' | C4' | H4' | 171.2° | 61.2° |
| H5'2 | C5' | C4' | N4' | 179.0° | 57.7° |
| H5'2 | C5' | C4' | C3' | 58.2° | 60.0° |
| H5'2 | C5' | C4' | H4' | 61.7° | 178.9° |
| N4' | C4' | C3' | H4' | 119.3° | 119.3° |
| C4' | N4' | C1' | HN'4 | 125.3° | 113.3° |
| N4' | C4' | C3' | O3' | 111.8° | 120.1° |
| N4' | C4' | C3' | C2' | 8.6° | 1.1° |
| N4' | C4' | C3' | H3' | 129.2° | 117.8° |
| C4' | N4' | C1' | C2' | 4.3° | 39.3° |
| C4' | N4' | C1' | C9 | 110.6° | 157.8° |
| C4' | N4' | C1' | H1' | 127.7° | 79.2° |
| C3' | C4' | N4' | C1' | 8.6° | 25.3° |
| C3' | C4' | N4' | HN'4 | 133.9° | 138.7° |
| C4' | C3' | O3' | C2' | 113.3° | 115.8° |
| C4' | C3' | O3' | H3' | 125.4° | 122.1° |
| C4' | C3' | C2' | H3' | 125.2° | 118.9° |
| C4' | C3' | O3' | HO'3 | 180.0° | 178.6° |
| C4' | C3' | C2' | O2' | 128.4° | 140.4° |
| C4' | C3' | C2' | C1' | 6.0° | 22.0° |
| C4' | C3' | C2' | H2' | 113.2° | 96.3° |
| H4' | C4' | N4' | C1' | 128.5° | 94.0° |
| H4' | C4' | N4' | HN'4 | 106.2° | 19.4° |
| H4' | C4' | C3' | O3' | 7.5° | 0.8° |
| H4' | C4' | C3' | C2' | 127.9° | 118.2° |
| H4' | C4' | C3' | H3' | 111.5° | 122.9° |
| N4' | C1' | C2' | C3' | 1.4° | 37.5° |
| N4' | C1' | C2' | O2' | 124.8° | 156.0° |
| N4' | C1' | C2' | C9 | 113.6° | 118.5° |
| N4' | C1' | C2' | H1' | 124.5° | 118.5° |
| N4' | C1' | C2' | H2' | 116.8° | 80.9° |
| N4' | C1' | C9 | H1' | 125.0° | 123.1° |
| N4' | C1' | C9 | C8 | 12.8° | 28.4° |
| N4' | C1' | C9 | C4 | 168.0° | 151.8° |
| HN'4 | N4' | C1' | C2' | 129.6° | 152.6° |
| HN'4 | N4' | C1' | C9 | 14.7° | 88.9° |
| HN'4 | N4' | C1' | H1' | 107.0° | 34.1° |
| O3' | C3' | C2' | H3' | 119.5° | 122.0° |
| O3' | C3' | C2' | O2' | 13.1° | 21.4° |
| O3' | C3' | C2' | C1' | 109.3° | 97.0° |
| O3' | C3' | C2' | H2' | 131.5° | 144.6° |
| C2' | C3' | O3' | HO'3 | 66.7° | 62.8° |
| C3' | C2' | O2' | C1' | 122.6° | 113.5° |
| C3' | C2' | O2' | H2' | 118.1° | 123.3° |
| C3' | C2' | C1' | H2' | 118.2° | 118.4° |
| C3' | C2' | O2' | HO'2 | 180.0° | 66.5° |
| C3' | C2' | C1' | C9 | 115.0° | 156.0° |
| C3' | C2' | C1' | H1' | 123.1° | 81.0° |
| H3' | C3' | O3' | HO'3 | 54.6° | 59.3° |
| H3' | C3' | C2' | O2' | 106.3° | 100.6° |
| H3' | C3' | C2' | C1' | 131.3° | 141.0° |
| H3' | C3' | C2' | H2' | 12.0° | 22.6° |
| O2' | C2' | C1' | H2' | 118.4° | 123.1° |
| O2' | C2' | C1' | C9 | 121.6° | 85.5° |
| O2' | C2' | C1' | H1' | 0.3° | 37.5° |
| C1' | C2' | O2' | HO'2 | 57.4° | 180.0° |
| C2' | C1' | C9 | H1' | 124.2° | 123.1° |
| C2' | C1' | C9 | C8 | 98.0° | 85.4° |
| C2' | C1' | C9 | C4 | 81.2° | 94.4° |
| H2' | C2' | O2' | HO'2 | 61.9° | 56.8° |
| H2' | C2' | C1' | C9 | 3.2° | 37.6° |
| H2' | C2' | C1' | H1' | 118.7° | 160.6° |
| C1' | C9 | C8 | C4 | 179.4° | 179.8° |
| C1' | C9 | C8 | N7 | 179.4° | 180.0° |
| C1' | C9 | C8 | H8 | 0.6° | 0.1° |
| C1' | C9 | C4 | N3 | 0.5° | 0.8° |
| C1' | C9 | C4 | C5 | 179.2° | 179.8° |
| H1' | C1' | C9 | C8 | 137.8° | 151.5° |
| H1' | C1' | C9 | C4 | 42.9° | 28.7° |
| C9 | C8 | N7 | H8 | 180.0° | 179.9° |
| C9 | C8 | N7 | C5 | 0.1° | 0.1° |
| C9 | C8 | N7 | H7 | 179.8° | 179.9° |
| C8 | C9 | C4 | N3 | 179.9° | 179.4° |
| C8 | C9 | C4 | C5 | 0.2° | 0.4° |
| C4 | C9 | C8 | N7 | 0.1° | 0.2° |
| C4 | C9 | C8 | H8 | 179.9° | 179.7° |
| C9 | C4 | C5 | N7 | 0.3° | 0.4° |
| C9 | C4 | N3 | C5 | 179.6° | 179.0° |
| C9 | C4 | C5 | C6 | 179.6° | 179.8° |
| C9 | C4 | N3 | C2 | 179.7° | 179.7° |
| C8 | N7 | C5 | H7 | 180.0° | 180.0° |
| C8 | N7 | C5 | C4 | 0.3° | 0.3° |
| C8 | N7 | C5 | C6 | 179.6° | 180.0° |
| H8 | C8 | N7 | C5 | 179.9° | 180.0° |
| H8 | C8 | N7 | H7 | 0.2° | 0.0° |
| N7 | C5 | C4 | N3 | 180.0° | 179.6° |
| N7 | C5 | C4 | C6 | 179.9° | 179.7° |
| N7 | C5 | C6 | O6 | 0.2° | 0.0° |
| N7 | C5 | C6 | N1 | 180.0° | 179.9° |
| H7 | N7 | C5 | C4 | 179.7° | 179.7° |
| H7 | N7 | C5 | C6 | 0.4° | 0.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.6° |
| C4 | N3 | C2 | N1 | 0.2° | 0.4° |
| C4 | N3 | C2 | H2 | 179.8° | 179.6° |
| C4 | C5 | C6 | O6 | 179.7° | 179.6° |
| C4 | C5 | C6 | N1 | 0.1° | 0.3° |
| C5 | C4 | N3 | C2 | 0.1° | 0.7° |
| O6 | C6 | N1 | C5 | 179.9° | 179.9° |
| O6 | C6 | N1 | C2 | 179.9° | 179.9° |
| O6 | C6 | N1 | H1 | 0.1° | 0.1° |
| C6 | N1 | C2 | H1 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| C6 | N1 | C2 | H2 | 179.8° | 180.0° |
| C5 | C6 | N1 | C2 | 0.0° | 0.0° |
| C5 | C6 | N1 | H1 | 180.0° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| H1 | N1 | C2 | N3 | 179.8° | 180.0° |
| H1 | N1 | C2 | H2 | 0.2° | 0.0° |
