IMO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1 | sing | 1.61Å | 1.48Å | |
| P | O2 | sing | 1.61Å | 1.48Å | |
| P | O3 | doub | 1.48Å | 1.49Å | |
| P | O6 | sing | 1.61Å | 1.66Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | N3 | doub | 1.32Å | 1.30Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.31Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C1' | C2' | sing | 1.54Å | 1.47Å | |
| C1' | O4' | sing | 1.44Å | 1.48Å | |
| C1' | N9 | sing | 1.46Å | 1.39Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| C2' | C3' | sing | 1.54Å | 1.56Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.48Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| C4' | C5' | sing | 1.53Å | 1.49Å | |
| C4' | O4' | sing | 1.45Å | 1.46Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| C5' | O5' | sing | 1.43Å | 1.38Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| PA | O1A | sing | 1.61Å | 1.48Å | |
| PA | O2A | sing | 1.61Å | 1.46Å | |
| PA | O3A | doub | 1.48Å | 1.48Å | |
| PA | O5' | sing | 1.61Å | 1.61Å | |
| O1A | HOA1 | sing | 0.97Å | 0.95Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| N9 | C4 | sing | 1.37Å | 1.40Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.33Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.37Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.36Å | Aromatic |
| C6 | O6 | sing | 1.35Å | 1.51Å | |
| C6 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.40Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H81 | sing | 1.08Å | 1.10Å | |
| O2' | HO'2 | sing | 0.97Å | 0.95Å | |
| O3' | HO'3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P | O2 | 113.1° | 109.5° |
| O1 | P | O3 | 111.9° | 109.5° |
| O1 | P | O6 | 106.4° | 109.5° |
| P | O1 | HO1 | 113.1° | 106.9° |
| O2 | P | O3 | 111.4° | 109.5° |
| O2 | P | O6 | 110.1° | 109.4° |
| P | O2 | HO2 | 113.0° | 106.8° |
| O3 | P | O6 | 103.4° | 109.5° |
| P | O6 | C6 | 118.5° | 106.8° |
| N3 | C2 | N1 | 123.6° | 122.5° |
| N3 | C2 | H2 | 117.6° | 118.8° |
| C2 | N3 | C4 | 112.5° | 120.5° |
| N1 | C2 | H2 | 118.7° | 118.7° |
| C2 | N1 | C6 | 128.1° | 121.2° |
| C2' | C1' | O4' | 104.3° | 104.8° |
| C2' | C1' | N9 | 109.8° | 110.4° |
| C2' | C1' | H1' | 116.2° | 110.3° |
| C1' | C2' | C3' | 104.5° | 104.1° |
| C1' | C2' | O2' | 105.1° | 110.6° |
| C1' | C2' | H2' | 118.4° | 110.5° |
| O4' | C1' | N9 | 118.3° | 110.5° |
| O4' | C1' | H1' | 107.3° | 110.4° |
| C1' | O4' | C4' | 109.5° | 105.4° |
| N9 | C1' | H1' | 101.4° | 110.4° |
| C1' | N9 | C4 | 126.9° | 126.3° |
| C1' | N9 | C8 | 128.3° | 126.3° |
| C3' | C2' | O2' | 117.6° | 110.5° |
| C3' | C2' | H2' | 106.2° | 110.5° |
| C2' | C3' | C4' | 99.9° | 104.2° |
| C2' | C3' | O3' | 114.9° | 110.5° |
| C2' | C3' | H3' | 113.3° | 110.5° |
| O2' | C2' | H2' | 105.6° | 110.5° |
| C2' | O2' | HO'2 | 105.1° | 106.8° |
| C4' | C3' | O3' | 112.4° | 110.5° |
| C4' | C3' | H3' | 115.8° | 110.5° |
| C3' | C4' | C5' | 115.5° | 110.7° |
| C3' | C4' | O4' | 106.1° | 104.6° |
| C3' | C4' | H4' | 109.3° | 110.3° |
| O3' | C3' | H3' | 101.2° | 110.5° |
| C3' | O3' | HO'3 | 114.9° | 106.8° |
| C5' | C4' | O4' | 113.5° | 110.4° |
| C5' | C4' | H4' | 101.1° | 110.3° |
| C4' | C5' | O5' | 111.4° | 109.5° |
| C4' | C5' | H5'1 | 111.5° | 109.4° |
| C4' | C5' | H5'2 | 111.5° | 109.4° |
| O4' | C4' | H4' | 111.3° | 110.3° |
| O5' | C5' | H5'1 | 111.5° | 109.5° |
| O5' | C5' | H5'2 | 111.5° | 109.6° |
| C5' | O5' | PA | 126.7° | 106.8° |
| H5'1 | C5' | H5'2 | 98.9° | 109.4° |
| O1A | PA | O2A | 109.6° | 109.5° |
| O1A | PA | O3A | 114.9° | 109.5° |
| O1A | PA | O5' | 107.1° | 109.5° |
| PA | O1A | HOA1 | 109.6° | 106.8° |
| O2A | PA | O3A | 105.7° | 109.5° |
| O2A | PA | O5' | 107.5° | 109.4° |
| PA | O2A | HOA2 | 109.6° | 106.9° |
| O3A | PA | O5' | 111.9° | 109.5° |
| C4 | N9 | C8 | 103.0° | 107.5° |
| N9 | C4 | N3 | 126.1° | 134.9° |
| N9 | C4 | C5 | 107.0° | 106.0° |
| N9 | C8 | N7 | 116.5° | 110.0° |
| N9 | C8 | H81 | 124.0° | 125.0° |
| N3 | C4 | C5 | 126.9° | 119.1° |
| C4 | C5 | C6 | 119.8° | 118.2° |
| C4 | C5 | N7 | 110.4° | 107.1° |
| N1 | C6 | O6 | 124.0° | 120.8° |
| N1 | C6 | C5 | 108.8° | 118.5° |
| O6 | C6 | C5 | 126.8° | 120.7° |
| C6 | C5 | N7 | 129.8° | 134.7° |
| C5 | N7 | C8 | 103.1° | 109.4° |
| N7 | C8 | H81 | 119.5° | 125.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P | O2 | O3 | 127.0° | 120.0° |
| O1 | P | O2 | O6 | 118.9° | 120.0° |
| O1 | P | O3 | O6 | 114.1° | 120.0° |
| O1 | P | O2 | HO2 | 179.9° | 60.0° |
| O1 | P | O6 | C6 | 98.1° | 180.0° |
| O2 | P | O3 | O6 | 118.2° | 120.0° |
| O2 | P | O1 | HO1 | 180.0° | 60.0° |
| O2 | P | O6 | C6 | 24.8° | 60.1° |
| O3 | P | O1 | HO1 | 53.2° | 60.0° |
| O3 | P | O2 | HO2 | 52.9° | 180.0° |
| O3 | P | O6 | C6 | 143.8° | 60.0° |
| O6 | P | O1 | HO1 | 59.0° | 180.0° |
| O6 | P | O2 | HO2 | 61.2° | 60.0° |
| P | O6 | C6 | N1 | 7.7° | 90.0° |
| P | O6 | C6 | C5 | 165.0° | 90.0° |
| N3 | C2 | N1 | H2 | 180.0° | 180.0° |
| C2 | N3 | C4 | N9 | 179.2° | 179.6° |
| C2 | N3 | C4 | C5 | 2.4° | 0.5° |
| N3 | C2 | N1 | C6 | 3.3° | 0.0° |
| N1 | C2 | N3 | C4 | 0.6° | 0.3° |
| C2 | N1 | C6 | O6 | 169.1° | 180.0° |
| C2 | N1 | C6 | C5 | 4.7° | 0.0° |
| H2 | C2 | N3 | C4 | 179.4° | 179.7° |
| H2 | C2 | N1 | C6 | 176.7° | 180.0° |
| C2' | C1' | O4' | N9 | 122.3° | 118.9° |
| C2' | C1' | O4' | H1' | 123.8° | 118.8° |
| C2' | C1' | N9 | H1' | 123.5° | 122.2° |
| C1' | C2' | C3' | O2' | 116.1° | 118.8° |
| C1' | C2' | C3' | H2' | 126.0° | 118.6° |
| C1' | C2' | O2' | H2' | 126.0° | 122.6° |
| C1' | C2' | C3' | C4' | 39.7° | 0.0° |
| C1' | C2' | C3' | O3' | 80.9° | 118.6° |
| C1' | C2' | C3' | H3' | 163.5° | 118.8° |
| C2' | C1' | O4' | C4' | 14.3° | 40.4° |
| C2' | C1' | N9 | C4 | 123.0° | 89.7° |
| C2' | C1' | N9 | C8 | 75.3° | 90.0° |
| C1' | C2' | O2' | HO'2 | 180.0° | 176.2° |
| O4' | C1' | N9 | H1' | 117.0° | 122.3° |
| O4' | C1' | C2' | C3' | 33.5° | 23.9° |
| O4' | C1' | C2' | O2' | 158.0° | 142.7° |
| O4' | C1' | C2' | H2' | 84.4° | 94.7° |
| C1' | O4' | C4' | C3' | 11.4° | 40.3° |
| C1' | O4' | C4' | C5' | 116.4° | 159.5° |
| C1' | O4' | C4' | H4' | 130.3° | 78.3° |
| O4' | C1' | N9 | C4 | 117.5° | 154.8° |
| O4' | C1' | N9 | C8 | 44.2° | 25.4° |
| N9 | C1' | C2' | C3' | 161.3° | 142.9° |
| N9 | C1' | C2' | O2' | 74.3° | 98.4° |
| N9 | C1' | C2' | H2' | 43.3° | 24.3° |
| N9 | C1' | O4' | C4' | 136.6° | 159.3° |
| C1' | N9 | C4 | C8 | 165.4° | 179.8° |
| C1' | N9 | C4 | N3 | 13.9° | 0.7° |
| C1' | N9 | C4 | C5 | 164.8° | 179.9° |
| C1' | N9 | C8 | N7 | 165.0° | 180.0° |
| C1' | N9 | C8 | H81 | 15.0° | 0.0° |
| H1' | C1' | C2' | C3' | 84.4° | 94.8° |
| H1' | C1' | C2' | O2' | 40.1° | 23.9° |
| H1' | C1' | C2' | H2' | 157.7° | 146.5° |
| H1' | C1' | O4' | C4' | 109.6° | 78.4° |
| H1' | C1' | N9 | C4 | 0.5° | 32.5° |
| H1' | C1' | N9 | C8 | 161.2° | 147.7° |
| C3' | C2' | O2' | H2' | 118.3° | 122.6° |
| C2' | C3' | C4' | O3' | 122.3° | 118.7° |
| C2' | C3' | C4' | H3' | 122.1° | 118.8° |
| C2' | C3' | O3' | H3' | 122.5° | 122.6° |
| C2' | C3' | C4' | C5' | 96.3° | 142.7° |
| C2' | C3' | C4' | O4' | 30.4° | 23.8° |
| C2' | C3' | C4' | H4' | 150.6° | 94.9° |
| C3' | C2' | O2' | HO'2 | 64.2° | 61.5° |
| C2' | C3' | O3' | HO'3 | 180.0° | 63.3° |
| O2' | C2' | C3' | C4' | 155.7° | 118.8° |
| O2' | C2' | C3' | O3' | 35.2° | 0.1° |
| O2' | C2' | C3' | H3' | 80.4° | 122.5° |
| H2' | C2' | C3' | C4' | 86.3° | 118.5° |
| H2' | C2' | C3' | O3' | 153.2° | 122.8° |
| H2' | C2' | C3' | H3' | 37.5° | 0.2° |
| H2' | C2' | O2' | HO'2 | 54.0° | 61.2° |
| C4' | C3' | O3' | H3' | 124.2° | 122.6° |
| C3' | C4' | C5' | O4' | 122.8° | 115.4° |
| C3' | C4' | C5' | H4' | 117.8° | 122.4° |
| C3' | C4' | O4' | H4' | 118.8° | 118.6° |
| C3' | C4' | C5' | O5' | 54.1° | 176.9° |
| C3' | C4' | C5' | H5'1 | 179.3° | 63.1° |
| C3' | C4' | C5' | H5'2 | 71.2° | 56.8° |
| C4' | C3' | O3' | HO'3 | 66.6° | 178.1° |
| O3' | C3' | C4' | C5' | 141.4° | 98.6° |
| O3' | C3' | C4' | O4' | 91.9° | 142.5° |
| O3' | C3' | C4' | H4' | 28.3° | 23.8° |
| H3' | C3' | C4' | C5' | 25.8° | 24.0° |
| H3' | C3' | C4' | O4' | 152.5° | 95.0° |
| H3' | C3' | C4' | H4' | 87.3° | 146.4° |
| H3' | C3' | O3' | HO'3 | 57.5° | 59.3° |
| C5' | C4' | O4' | H4' | 113.3° | 122.2° |
| C4' | C5' | O5' | H5'1 | 125.2° | 119.9° |
| C4' | C5' | O5' | H5'2 | 125.3° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 117.4° | 119.9° |
| C4' | C5' | O5' | PA | 145.2° | 180.0° |
| O4' | C4' | C5' | O5' | 68.8° | 61.5° |
| O4' | C4' | C5' | H5'1 | 56.5° | 178.5° |
| O4' | C4' | C5' | H5'2 | 166.0° | 58.6° |
| H4' | C4' | C5' | O5' | 171.9° | 60.7° |
| H4' | C4' | C5' | H5'1 | 62.9° | 59.3° |
| H4' | C4' | C5' | H5'2 | 46.6° | 179.2° |
| O5' | C5' | H5'1 | H5'2 | 117.4° | 120.1° |
| C5' | O5' | PA | O1A | 67.7° | 179.9° |
| C5' | O5' | PA | O2A | 174.7° | 60.1° |
| C5' | O5' | PA | O3A | 59.0° | 59.9° |
| H5'1 | C5' | O5' | PA | 20.0° | 60.1° |
| H5'2 | C5' | O5' | PA | 89.5° | 60.0° |
| O1A | PA | O2A | O3A | 124.3° | 120.0° |
| O1A | PA | O2A | O5' | 116.0° | 120.0° |
| O1A | PA | O3A | O5' | 122.4° | 120.0° |
| O1A | PA | O2A | HOA2 | 180.0° | 59.9° |
| O2A | PA | O3A | O5' | 116.7° | 120.0° |
| O2A | PA | O1A | HOA1 | 180.0° | 60.0° |
| O3A | PA | O1A | HOA1 | 61.2° | 60.0° |
| O3A | PA | O2A | HOA2 | 55.7° | 180.0° |
| O5' | PA | O1A | HOA1 | 63.7° | 180.0° |
| O5' | PA | O2A | HOA2 | 63.9° | 60.0° |
| N9 | C4 | N3 | C5 | 178.4° | 179.1° |
| N9 | C4 | C5 | C6 | 179.4° | 179.8° |
| N9 | C4 | C5 | N7 | 0.9° | 0.3° |
| C4 | N9 | C8 | N7 | 0.1° | 0.2° |
| C4 | N9 | C8 | H81 | 179.9° | 179.8° |
| C8 | N9 | C4 | N3 | 179.3° | 179.5° |
| C8 | N9 | C4 | C5 | 0.6° | 0.3° |
| N9 | C8 | N7 | C5 | 0.4° | 0.0° |
| N9 | C8 | N7 | H81 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.7° | 0.5° |
| N3 | C4 | C5 | N7 | 179.6° | 179.6° |
| C4 | C5 | C6 | N1 | 2.6° | 0.3° |
| C4 | C5 | C6 | O6 | 171.0° | 179.7° |
| C4 | C5 | C6 | N7 | 179.7° | 179.8° |
| C4 | C5 | N7 | C8 | 0.8° | 0.2° |
| N1 | C6 | O6 | C5 | 172.7° | 180.0° |
| N1 | C6 | C5 | N7 | 177.1° | 180.0° |
| O6 | C6 | C5 | N7 | 9.3° | 0.0° |
| C6 | C5 | N7 | C8 | 179.5° | 180.0° |
| C5 | N7 | C8 | H81 | 179.6° | 180.0° |
