AV2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PB | O1B | doub | 1.52Å | 1.50Å | |
| PB | O2B | sing | 1.52Å | 1.55Å | |
| PB | O3B | sing | 1.52Å | 1.52Å | |
| PB | O3A | sing | 1.62Å | 1.61Å | |
| O2B | HOB2 | sing | 12.79Å | 0.95Å | |
| O3B | HOB3 | sing | 14.04Å | 0.95Å | |
| PA | O1A | doub | 1.48Å | 1.45Å | |
| PA | O2A | sing | 1.49Å | 1.46Å | |
| PA | O3A | sing | 1.60Å | 1.62Å | |
| PA | O5' | sing | 1.60Å | 1.54Å | |
| O2A | HOA2 | sing | 10.29Å | 0.95Å | |
| O5' | C5' | sing | 1.45Å | 1.42Å | |
| C5' | C4' | sing | 1.51Å | 1.52Å | |
| C5' | H5'1 | sing | 0.99Å | 1.12Å | |
| C5' | H5'2 | sing | 0.99Å | 1.11Å | |
| C4' | O4' | sing | 1.45Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.49Å | |
| C4' | H4' | sing | 0.99Å | 1.11Å | |
| O4' | C1' | sing | 1.41Å | 1.45Å | |
| C3' | O3' | sing | 1.41Å | 1.45Å | |
| C3' | C2' | sing | 1.51Å | 1.50Å | |
| C3' | H3' | sing | 0.98Å | 1.11Å | |
| O3' | V | sing | 1.63Å | 2.00Å | |
| C2' | O2' | sing | 1.42Å | 1.43Å | |
| C2' | C1' | sing | 1.52Å | 1.48Å | |
| C2' | H2' | sing | 0.98Å | 1.12Å | |
| O2' | V | sing | 1.63Å | 1.96Å | |
| C1' | N9 | sing | 1.46Å | 1.43Å | |
| C1' | H1' | sing | 0.99Å | 1.12Å | |
| N9 | C8 | sing | 1.37Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.38Å | 1.32Å | Aromatic |
| C8 | N7 | doub | 1.31Å | 1.32Å | Aromatic |
| C8 | H8 | sing | 0.94Å | 1.10Å | |
| N7 | C5 | sing | 1.39Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.43Å | Aromatic |
| C6 | N6 | sing | 1.33Å | 1.35Å | |
| C6 | N1 | sing | 1.36Å | 1.38Å | Aromatic |
| N6 | HN61 | sing | 0.88Å | 1.02Å | |
| N6 | HN62 | sing | 0.88Å | 1.02Å | |
| N1 | C2 | doub | 1.34Å | 1.38Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 0.95Å | 1.10Å | |
| N3 | C4 | doub | 1.34Å | 1.40Å | Aromatic |
| V | O1V | doub | 1.63Å | 1.62Å | |
| V | O2V | sing | 1.63Å | 1.59Å | |
| O2V | HV | sing | 0.87Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | PB | O2B | 115.4° | 112.7° |
| O1B | PB | O3B | 112.2° | 112.7° |
| O1B | PB | O3A | 102.8° | 106.1° |
| O2B | PB | O3B | 111.8° | 112.6° |
| O2B | PB | O3A | 107.1° | 106.1° |
| PB | O2B | HOB2 | 115.4° | 53.0° |
| O3B | PB | O3A | 106.6° | 106.0° |
| PB | O3B | HOB3 | 112.2° | 68.7° |
| PB | O3A | PA | 132.2° | 132.3° |
| O1A | PA | O2A | 117.1° | 118.6° |
| O1A | PA | O3A | 111.2° | 108.4° |
| O1A | PA | O5' | 102.7° | 109.7° |
| O2A | PA | O3A | 108.5° | 108.3° |
| O2A | PA | O5' | 114.2° | 109.9° |
| PA | O2A | HOA2 | 117.1° | 57.3° |
| O3A | PA | O5' | 102.1° | 100.3° |
| PA | O5' | C5' | 122.5° | 116.8° |
| O5' | C5' | C4' | 108.3° | 109.6° |
| O5' | C5' | H5'1 | 112.6° | 109.7° |
| O5' | C5' | H5'2 | 112.6° | 109.8° |
| C4' | C5' | H5'1 | 112.6° | 109.9° |
| C4' | C5' | H5'2 | 112.7° | 109.4° |
| C5' | C4' | O4' | 112.0° | 108.9° |
| C5' | C4' | C3' | 118.5° | 116.8° |
| C5' | C4' | H4' | 99.4° | 108.2° |
| H5'1 | C5' | H5'2 | 97.8° | 108.4° |
| O4' | C4' | C3' | 104.0° | 105.0° |
| O4' | C4' | H4' | 115.2° | 109.1° |
| C4' | O4' | C1' | 111.3° | 112.4° |
| C3' | C4' | H4' | 108.1° | 108.7° |
| C4' | C3' | O3' | 111.6° | 111.2° |
| C4' | C3' | C2' | 106.0° | 103.7° |
| C4' | C3' | H3' | 110.6° | 114.0° |
| O4' | C1' | C2' | 102.6° | 106.5° |
| O4' | C1' | N9 | 108.3° | 109.1° |
| O4' | C1' | H1' | 116.5° | 108.8° |
| O3' | C3' | C2' | 110.0° | 112.2° |
| O3' | C3' | H3' | 106.7° | 104.5° |
| C3' | O3' | V | 114.9° | 102.2° |
| C2' | C3' | H3' | 112.1° | 111.4° |
| C3' | C2' | O2' | 108.4° | 111.7° |
| C3' | C2' | C1' | 103.8° | 105.2° |
| C3' | C2' | H2' | 115.6° | 110.8° |
| O3' | V | O2' | 80.9° | 107.4° |
| O3' | V | O1V | 110.0° | 109.9° |
| O3' | V | O2V | 136.6° | 109.9° |
| O2' | C2' | C1' | 114.3° | 111.9° |
| O2' | C2' | H2' | 105.3° | 106.6° |
| C2' | O2' | V | 114.2° | 101.6° |
| C1' | C2' | H2' | 109.8° | 110.7° |
| C2' | C1' | N9 | 114.7° | 114.2° |
| C2' | C1' | H1' | 110.3° | 109.2° |
| O2' | V | O1V | 104.8° | 109.9° |
| O2' | V | O2V | 94.3° | 109.8° |
| N9 | C1' | H1' | 104.8° | 109.0° |
| C1' | N9 | C8 | 129.9° | 128.9° |
| C1' | N9 | C4 | 121.8° | 125.3° |
| C8 | N9 | C4 | 108.3° | 105.7° |
| N9 | C8 | N7 | 110.4° | 113.8° |
| N9 | C8 | H8 | 125.6° | 123.0° |
| N9 | C4 | C5 | 106.2° | 105.9° |
| N9 | C4 | N3 | 133.6° | 127.8° |
| N7 | C8 | H8 | 123.9° | 123.2° |
| C8 | N7 | C5 | 107.7° | 103.9° |
| N7 | C5 | C6 | 135.0° | 131.9° |
| N7 | C5 | C4 | 107.4° | 110.7° |
| C6 | C5 | C4 | 117.6° | 117.4° |
| C5 | C6 | N6 | 121.7° | 123.7° |
| C5 | C6 | N1 | 118.8° | 117.3° |
| C5 | C4 | N3 | 120.3° | 126.4° |
| N6 | C6 | N1 | 119.5° | 118.9° |
| C6 | N6 | HN61 | 121.7° | 120.3° |
| C6 | N6 | HN62 | 107.8° | 120.0° |
| C6 | N1 | C2 | 122.8° | 118.6° |
| HN61 | N6 | HN62 | 107.8° | 119.8° |
| N1 | C2 | N3 | 119.8° | 129.2° |
| N1 | C2 | H2 | 122.1° | 115.3° |
| N3 | C2 | H2 | 118.1° | 115.5° |
| C2 | N3 | C4 | 120.8° | 111.1° |
| O1V | V | O2V | 112.9° | 109.9° |
| V | O2V | HV | 136.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | PB | O2B | O3B | 129.9° | 128.8° |
| O1B | PB | O2B | O3A | 113.7° | 115.7° |
| O1B | PB | O3B | O3A | 111.8° | 115.6° |
| O1B | PB | O2B | HOB2 | 180.0° | 105.1° |
| O1B | PB | O3B | HOB3 | 180.0° | 112.0° |
| O1B | PB | O3A | PA | 145.3° | 82.8° |
| O2B | PB | O3B | O3A | 116.7° | 115.6° |
| O2B | PB | O3B | HOB3 | 48.5° | 119.1° |
| O2B | PB | O3A | PA | 23.3° | 157.2° |
| O3B | PB | O2B | HOB2 | 50.1° | 126.1° |
| O3B | PB | O3A | PA | 96.5° | 37.2° |
| O3A | PB | O2B | HOB2 | 66.3° | 10.6° |
| O3A | PB | O3B | HOB3 | 68.2° | 3.6° |
| PB | O3A | PA | O1A | 68.6° | 72.5° |
| PB | O3A | PA | O2A | 61.6° | 57.4° |
| PB | O3A | PA | O5' | 177.5° | 172.5° |
| O1A | PA | O2A | O3A | 126.9° | 124.0° |
| O1A | PA | O2A | O5' | 120.0° | 127.4° |
| O1A | PA | O3A | O5' | 108.9° | 115.0° |
| O1A | PA | O2A | HOA2 | 180.0° | 99.0° |
| O1A | PA | O5' | C5' | 177.9° | 67.6° |
| O2A | PA | O3A | O5' | 120.9° | 115.1° |
| O2A | PA | O5' | C5' | 50.1° | 64.6° |
| O3A | PA | O2A | HOA2 | 53.1° | 137.0° |
| O3A | PA | O5' | C5' | 66.7° | 178.5° |
| O5' | PA | O2A | HOA2 | 59.9° | 28.3° |
| PA | O5' | C5' | C4' | 156.2° | 172.7° |
| PA | O5' | C5' | H5'1 | 30.9° | 52.0° |
| PA | O5' | C5' | H5'2 | 78.6° | 67.1° |
| O5' | C5' | C4' | H5'1 | 125.2° | 120.6° |
| O5' | C5' | C4' | H5'2 | 125.2° | 120.5° |
| O5' | C5' | H5'1 | H5'2 | 118.5° | 119.9° |
| O5' | C5' | C4' | O4' | 72.8° | 78.6° |
| O5' | C5' | C4' | C3' | 48.3° | 162.7° |
| O5' | C5' | C4' | H4' | 165.0° | 39.8° |
| C4' | C5' | H5'1 | H5'2 | 118.6° | 119.5° |
| C5' | C4' | O4' | C3' | 129.2° | 125.8° |
| C5' | C4' | O4' | H4' | 112.7° | 117.9° |
| C5' | C4' | C3' | H4' | 112.0° | 122.6° |
| C5' | C4' | O4' | C1' | 135.8° | 138.3° |
| C5' | C4' | C3' | O3' | 130.8° | 94.4° |
| C5' | C4' | C3' | C2' | 109.5° | 144.7° |
| C5' | C4' | C3' | H3' | 12.3° | 23.4° |
| H5'1 | C5' | C4' | O4' | 162.0° | 160.8° |
| H5'1 | C5' | C4' | C3' | 76.9° | 42.1° |
| H5'1 | C5' | C4' | H4' | 39.8° | 80.8° |
| H5'2 | C5' | C4' | O4' | 52.4° | 41.8° |
| H5'2 | C5' | C4' | C3' | 173.6° | 76.8° |
| H5'2 | C5' | C4' | H4' | 69.7° | 160.3° |
| O4' | C4' | C3' | H4' | 122.9° | 116.6° |
| O4' | C4' | C3' | O3' | 104.0° | 144.8° |
| O4' | C4' | C3' | C2' | 15.7° | 24.0° |
| O4' | C4' | C3' | H3' | 137.4° | 97.4° |
| C4' | O4' | C1' | C2' | 26.2° | 4.3° |
| C4' | O4' | C1' | N9 | 147.8° | 119.4° |
| C4' | O4' | C1' | H1' | 94.4° | 121.9° |
| C3' | C4' | O4' | C1' | 6.6° | 12.5° |
| C4' | C3' | O3' | C2' | 117.3° | 115.7° |
| C4' | C3' | O3' | H3' | 120.9° | 123.4° |
| C4' | C3' | C2' | H3' | 120.8° | 123.0° |
| C4' | C3' | O3' | V | 132.7° | 98.6° |
| C4' | C3' | C2' | O2' | 153.6° | 95.2° |
| C4' | C3' | C2' | C1' | 31.7° | 26.4° |
| C4' | C3' | C2' | H2' | 88.6° | 146.1° |
| H4' | C4' | O4' | C1' | 111.6° | 103.8° |
| H4' | C4' | C3' | O3' | 18.9° | 28.2° |
| H4' | C4' | C3' | C2' | 138.6° | 92.6° |
| H4' | C4' | C3' | H3' | 99.7° | 146.0° |
| O4' | C1' | C2' | C3' | 34.5° | 19.7° |
| O4' | C1' | C2' | O2' | 152.3° | 101.8° |
| O4' | C1' | C2' | N9 | 117.2° | 120.5° |
| O4' | C1' | C2' | H1' | 124.8° | 117.3° |
| O4' | C1' | C2' | H2' | 89.7° | 139.4° |
| O4' | C1' | N9 | H1' | 125.0° | 118.6° |
| O4' | C1' | N9 | C8 | 63.7° | 25.2° |
| O4' | C1' | N9 | C4 | 115.1° | 155.1° |
| O3' | C3' | C2' | H3' | 118.5° | 116.8° |
| O3' | C3' | C2' | O2' | 32.8° | 25.0° |
| O3' | C3' | C2' | C1' | 89.1° | 146.6° |
| O3' | C3' | C2' | H2' | 150.7° | 93.8° |
| C3' | O3' | V | O2' | 3.6° | 5.7° |
| C3' | O3' | V | O1V | 98.9° | 113.8° |
| C3' | O3' | V | O2V | 90.3° | 125.1° |
| C2' | C3' | O3' | V | 15.4° | 17.1° |
| C3' | C2' | O2' | C1' | 115.2° | 117.6° |
| C3' | C2' | O2' | H2' | 124.3° | 121.2° |
| C3' | C2' | C1' | H2' | 124.2° | 119.7° |
| C3' | C2' | O2' | V | 37.5° | 18.3° |
| C3' | C2' | C1' | N9 | 151.7° | 100.8° |
| C3' | C2' | C1' | H1' | 90.3° | 137.0° |
| H3' | C3' | O3' | V | 106.4° | 138.0° |
| H3' | C3' | C2' | O2' | 85.6° | 141.8° |
| H3' | C3' | C2' | C1' | 152.5° | 96.6° |
| H3' | C3' | C2' | H2' | 32.2° | 23.1° |
| O3' | V | O2' | C2' | 23.5° | 7.8° |
| O3' | V | O2' | O1V | 108.5° | 119.5° |
| O3' | V | O2' | O2V | 136.5° | 119.5° |
| O3' | V | O1V | O2V | 173.1° | 121.0° |
| O3' | V | O2V | HV | 180.0° | 52.0° |
| O2' | C2' | C1' | H2' | 118.0° | 118.8° |
| O2' | C2' | C1' | N9 | 90.5° | 137.7° |
| O2' | C2' | C1' | H1' | 27.6° | 15.5° |
| C2' | O2' | V | O1V | 85.0° | 127.3° |
| C2' | O2' | V | O2V | 160.0° | 111.7° |
| C1' | C2' | O2' | V | 77.7° | 135.9° |
| C2' | C1' | N9 | H1' | 121.1° | 122.3° |
| C2' | C1' | N9 | C8 | 50.2° | 93.8° |
| C2' | C1' | N9 | C4 | 131.0° | 85.8° |
| H2' | C2' | O2' | V | 161.7° | 102.8° |
| H2' | C2' | C1' | N9 | 27.5° | 18.9° |
| H2' | C2' | C1' | H1' | 145.6° | 103.3° |
| O2' | V | O1V | O2V | 101.3° | 121.0° |
| O2' | V | O2V | HV | 98.7° | 170.0° |
| C1' | N9 | C8 | C4 | 178.9° | 179.7° |
| C1' | N9 | C8 | N7 | 178.7° | 179.9° |
| C1' | N9 | C8 | H8 | 1.3° | 0.3° |
| C1' | N9 | C4 | C5 | 178.5° | 179.9° |
| C1' | N9 | C4 | N3 | 1.1° | 0.2° |
| H1' | C1' | N9 | C8 | 171.3° | 143.9° |
| H1' | C1' | N9 | C4 | 9.9° | 36.5° |
| N9 | C8 | N7 | H8 | 180.0° | 179.8° |
| N9 | C8 | N7 | C5 | 0.2° | 0.2° |
| C8 | N9 | C4 | C5 | 0.5° | 0.1° |
| C8 | N9 | C4 | N3 | 179.9° | 179.9° |
| C4 | N9 | C8 | N7 | 0.2° | 0.2° |
| C4 | N9 | C8 | H8 | 179.7° | 180.0° |
| N9 | C4 | C5 | N7 | 0.6° | 0.0° |
| N9 | C4 | C5 | C6 | 179.4° | 180.0° |
| N9 | C4 | C5 | N3 | 179.6° | 180.0° |
| N9 | C4 | N3 | C2 | 179.6° | 180.0° |
| C8 | N7 | C5 | C6 | 179.5° | 179.9° |
| C8 | N7 | C5 | C4 | 0.5° | 0.1° |
| H8 | C8 | N7 | C5 | 179.8° | 180.0° |
| N7 | C5 | C6 | C4 | 180.0° | 180.0° |
| N7 | C5 | C6 | N6 | 0.1° | 0.0° |
| N7 | C5 | C6 | N1 | 179.7° | 180.0° |
| N7 | C5 | C4 | N3 | 179.7° | 180.0° |
| C5 | C6 | N6 | N1 | 179.8° | 180.0° |
| C5 | C6 | N6 | HN61 | 180.0° | 180.0° |
| C5 | C6 | N6 | HN62 | 54.8° | 0.0° |
| C5 | C6 | N1 | C2 | 0.0° | 0.0° |
| C6 | C5 | C4 | N3 | 0.2° | 0.0° |
| C4 | C5 | C6 | N6 | 179.9° | 180.0° |
| C4 | C5 | C6 | N1 | 0.3° | 0.0° |
| C5 | C4 | N3 | C2 | 0.0° | 0.1° |
| C6 | N6 | HN61 | HN62 | 125.2° | 180.0° |
| N6 | C6 | N1 | C2 | 179.8° | 180.0° |
| N1 | C6 | N6 | HN61 | 0.2° | 0.0° |
| N1 | C6 | N6 | HN62 | 125.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.3° | 0.0° |
| C6 | N1 | C2 | H2 | 179.7° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.1° |
| H2 | C2 | N3 | C4 | 179.6° | 179.9° |
| O1V | V | O2V | HV | 9.4° | 69.0° |






