AOV
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 | 1.52Å | |
| PB | O3B | sing | 1.52Å | 1.55Å | |
| PB | O3A | sing | 1.62Å | 1.61Å | |
| O3B | VG | sing | 1.96Å | 2.04Å | |
| PA | O1A | doub | 1.49Å | 1.48Å | |
| PA | O2A | sing | 1.48Å | 1.54Å | |
| PA | O3A | sing | 1.60Å | 1.58Å | |
| PA | O5' | sing | 1.60Å | 1.60Å | |
| O5' | C5' | sing | 1.45Å | 1.46Å | |
| C5' | C4' | sing | 1.51Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C3' | sing | 1.53Å | 1.53Å | |
| O4' | C1' | sing | 1.42Å | 1.42Å | |
| C3' | O3' | sing | 1.42Å | 1.41Å | |
| C3' | C2' | sing | 1.54Å | 1.50Å | |
| C2' | O2' | sing | 1.42Å | 1.41Å | |
| C2' | C1' | sing | 1.54Å | 1.50Å | |
| C1' | N9 | sing | 1.47Å | 1.48Å | |
| N9 | C8 | sing | 1.37Å | 1.34Å | Aromatic |
| N9 | C4 | sing | 1.38Å | 1.32Å | Aromatic |
| C8 | N7 | doub | 1.31Å | 1.35Å | Aromatic |
| N7 | C5 | sing | 1.39Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.49Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.46Å | Aromatic |
| C6 | N6 | sing | 1.33Å | 1.36Å | |
| C6 | N1 | doub | 1.36Å | 1.34Å | Aromatic |
| N1 | C2 | sing | 1.34Å | 1.35Å | Aromatic |
| C2 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.35Å | Aromatic |
| VG | O1G | doub | 1.94Å | 1.79Å | |
| VG | O2G | sing | 1.61Å | 1.79Å | |
| VG | O3G | sing | 1.93Å | 1.76Å | |
| VG | O4G | sing | 1.93Å | 1.85Å | |
| O2B | H2B | sing | 3.87Å | 0.95Å | |
| O2A | H2A | sing | 5.24Å | 0.95Å | |
| C5' | H5'1 | sing | 0.99Å | 1.10Å | |
| C5' | H5'2 | sing | 0.99Å | 1.10Å | |
| C4' | H4' | sing | 0.99Å | 1.10Å | |
| C3' | H3' | sing | 0.99Å | 1.10Å | |
| C1' | H1' | sing | 1.02Å | 1.10Å | |
| O3' | HA | sing | 0.84Å | 0.95Å | |
| C2' | H2' | sing | 0.99Å | 1.10Å | |
| O2' | HB | sing | 0.84Å | 0.95Å | |
| C8 | H8 | sing | 0.94Å | 1.08Å | |
| N6 | H61N | sing | 0.88Å | 1.00Å | |
| N6 | H62N | sing | 0.88Å | 1.00Å | |
| C2 | H2 | sing | 0.95Å | 1.08Å | |
| O2G | H2G1 | sing | 0.87Å | 0.95Å | |
| O3G | H3G1 | sing | 0.87Å | 0.95Å | |
| O4G | H4G1 | sing | 0.87Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | PB | O2B | 110.9° | 112.3° |
| O1B | PB | O3B | 107.1° | 112.1° |
| O1B | PB | O3A | 109.1° | 106.4° |
| O2B | PB | O3B | 107.0° | 112.0° |
| O2B | PB | O3A | 112.3° | 105.5° |
| PB | O2B | H2B | 109.5° | 51.9° |
| O3B | PB | O3A | 110.2° | 108.0° |
| PB | O3B | VG | 135.7° | 118.8° |
| PB | O3A | PA | 126.5° | 134.0° |
| O3B | VG | O1G | 91.4° | 88.0° |
| O3B | VG | O2G | 87.3° | 103.7° |
| O3B | VG | O3G | 98.6° | 86.7° |
| O3B | VG | O4G | 169.5° | 152.7° |
| O1A | PA | O2A | 126.7° | 118.7° |
| O1A | PA | O3A | 99.2° | 107.9° |
| O1A | PA | O5' | 114.6° | 110.4° |
| O2A | PA | O3A | 111.1° | 109.8° |
| O2A | PA | O5' | 108.8° | 109.6° |
| PA | O2A | H2A | 109.5° | 71.1° |
| O3A | PA | O5' | 89.2° | 98.5° |
| PA | O5' | C5' | 125.6° | 117.7° |
| O5' | C5' | C4' | 112.4° | 108.8° |
| O5' | C5' | H5'1 | 108.5° | 109.9° |
| O5' | C5' | H5'2 | 107.9° | 110.1° |
| C5' | C4' | O4' | 105.2° | 108.9° |
| C5' | C4' | C3' | 113.5° | 116.5° |
| C4' | C5' | H5'1 | 108.5° | 109.8° |
| C4' | C5' | H5'2 | 107.8° | 109.7° |
| C5' | C4' | H4' | 109.2° | 108.1° |
| O4' | C4' | C3' | 108.3° | 104.4° |
| C4' | O4' | C1' | 106.1° | 110.9° |
| O4' | C4' | H4' | 114.5° | 109.1° |
| C4' | C3' | O3' | 103.8° | 109.2° |
| C4' | C3' | C2' | 94.6° | 102.9° |
| C3' | C4' | H4' | 106.3° | 109.6° |
| C4' | C3' | H3' | 122.8° | 111.2° |
| O4' | C1' | C2' | 105.3° | 107.3° |
| O4' | C1' | N9 | 113.6° | 107.8° |
| O4' | C1' | H1' | 109.7° | 107.7° |
| O3' | C3' | C2' | 113.1° | 113.7° |
| O3' | C3' | H3' | 107.1° | 109.8° |
| C3' | O3' | HA | 109.5° | 110.6° |
| C3' | C2' | O2' | 112.0° | 112.7° |
| C3' | C2' | C1' | 105.6° | 102.8° |
| C2' | C3' | H3' | 114.8° | 109.8° |
| C3' | C2' | H2' | 111.2° | 110.0° |
| O2' | C2' | C1' | 111.7° | 111.3° |
| O2' | C2' | H2' | 105.0° | 110.2° |
| C2' | O2' | HB | 109.5° | 110.7° |
| C2' | C1' | N9 | 109.8° | 116.2° |
| C2' | C1' | H1' | 113.5° | 108.5° |
| C1' | C2' | H2' | 111.5° | 109.7° |
| C1' | N9 | C8 | 123.0° | 128.8° |
| C1' | N9 | C4 | 123.0° | 125.7° |
| N9 | C1' | H1' | 105.2° | 109.0° |
| C8 | N9 | C4 | 113.9° | 105.5° |
| N9 | C8 | N7 | 109.7° | 113.9° |
| N9 | C8 | H8 | 125.1° | 122.9° |
| N9 | C4 | C5 | 99.9° | 106.0° |
| N9 | C4 | N3 | 141.9° | 127.9° |
| C8 | N7 | C5 | 104.1° | 103.9° |
| N7 | C8 | H8 | 125.2° | 123.1° |
| N7 | C5 | C6 | 131.5° | 131.8° |
| N7 | C5 | C4 | 112.4° | 110.6° |
| C6 | C5 | C4 | 116.0° | 117.6° |
| C5 | C6 | N6 | 119.7° | 123.8° |
| C5 | C6 | N1 | 120.1° | 117.3° |
| C5 | C4 | N3 | 118.2° | 126.1° |
| N6 | C6 | N1 | 120.2° | 118.9° |
| C6 | N6 | H61N | 109.5° | 120.2° |
| C6 | N6 | H62N | 109.5° | 120.0° |
| C6 | N1 | C2 | 120.1° | 118.6° |
| N1 | C2 | N3 | 123.1° | 129.2° |
| N1 | C2 | H2 | 118.5° | 115.4° |
| C2 | N3 | C4 | 122.6° | 111.2° |
| N3 | C2 | H2 | 118.5° | 115.4° |
| O1G | VG | O2G | 103.5° | 103.1° |
| O1G | VG | O3G | 140.7° | 154.0° |
| O1G | VG | O4G | 90.0° | 86.7° |
| O2G | VG | O3G | 114.8° | 102.8° |
| O2G | VG | O4G | 82.3° | 103.6° |
| VG | O2G | H2G1 | 109.5° | 109.5° |
| O3G | VG | O4G | 86.8° | 86.4° |
| VG | O3G | H3G1 | 109.5° | 109.5° |
| VG | O4G | H4G1 | 109.5° | 109.4° |
| H5'1 | C5' | H5'2 | 111.8° | 108.5° |
| H61N | N6 | H62N | 109.4° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | PB | O2B | O3B | 116.5° | 127.2° |
| O1B | PB | O2B | O3A | 122.4° | 115.5° |
| O1B | PB | O3B | O3A | 118.6° | 117.0° |
| O1B | PB | O3B | VG | 26.5° | 134.6° |
| O1B | PB | O3A | PA | 1.5° | 4.1° |
| O1B | PB | O2B | H2B | 82.3° | 54.2° |
| O2B | PB | O3B | O3A | 122.4° | 115.8° |
| O2B | PB | O3B | VG | 92.6° | 98.1° |
| O2B | PB | O3A | PA | 122.0° | 123.5° |
| O3B | PB | O3A | PA | 118.8° | 116.5° |
| PB | O3B | VG | O1G | 50.7° | 57.8° |
| PB | O3B | VG | O2G | 154.1° | 160.8° |
| PB | O3B | VG | O3G | 91.2° | 96.7° |
| PB | O3B | VG | O4G | 148.4° | 21.1° |
| O3B | PB | O2B | H2B | 34.2° | 178.6° |
| O3A | PB | O3B | VG | 145.0° | 17.7° |
| PB | O3A | PA | O1A | 60.3° | 173.8° |
| PB | O3A | PA | O2A | 75.0° | 43.1° |
| PB | O3A | PA | O5' | 175.1° | 71.4° |
| O3A | PB | O2B | H2B | 155.3° | 61.4° |
| O3B | VG | O1G | O2G | 87.6° | 103.6° |
| O3B | VG | O1G | O3G | 105.4° | 78.3° |
| O3B | VG | O1G | O4G | 169.6° | 153.2° |
| O3B | VG | O2G | O3G | 98.2° | 89.7° |
| O3B | VG | O2G | O4G | 179.0° | 179.1° |
| O3B | VG | O3G | O4G | 171.0° | 153.6° |
| O3B | VG | O2G | H2G1 | 17.7° | 150.8° |
| O3B | VG | O3G | H3G1 | 43.5° | 155.4° |
| O3B | VG | O4G | H4G1 | 17.0° | 139.0° |
| O1A | PA | O2A | O3A | 120.1° | 124.8° |
| O1A | PA | O2A | O5' | 143.3° | 128.0° |
| O1A | PA | O3A | O5' | 114.8° | 114.7° |
| O1A | PA | O5' | C5' | 175.8° | 60.6° |
| O1A | PA | O2A | H2A | 103.7° | 157.2° |
| O2A | PA | O3A | O5' | 109.8° | 114.5° |
| O2A | PA | O5' | C5' | 27.6° | 71.9° |
| O3A | PA | O5' | C5' | 84.4° | 173.5° |
| O3A | PA | O2A | H2A | 136.1° | 78.0° |
| PA | O5' | C5' | C4' | 127.8° | 162.0° |
| O5' | PA | O2A | H2A | 39.5° | 29.2° |
| PA | O5' | C5' | H5'1 | 7.8° | 77.7° |
| PA | O5' | C5' | H5'2 | 113.5° | 41.7° |
| O5' | C5' | C4' | H5'1 | 120.0° | 120.3° |
| O5' | C5' | C4' | H5'2 | 118.8° | 120.5° |
| O5' | C5' | C4' | O4' | 74.7° | 60.7° |
| O5' | C5' | C4' | C3' | 43.6° | 178.4° |
| O5' | C5' | H5'1 | H5'2 | 118.8° | 120.4° |
| O5' | C5' | C4' | H4' | 162.0° | 57.7° |
| C5' | C4' | O4' | C3' | 121.7° | 125.1° |
| C5' | C4' | O4' | H4' | 120.0° | 117.8° |
| C5' | C4' | C3' | H4' | 120.1° | 123.1° |
| C5' | C4' | O4' | C1' | 143.9° | 147.9° |
| C5' | C4' | C3' | O3' | 88.6° | 85.3° |
| C5' | C4' | C3' | C2' | 156.2° | 153.5° |
| C4' | C5' | H5'1 | H5'2 | 118.8° | 119.9° |
| C5' | C4' | C3' | H3' | 32.6° | 36.0° |
| O4' | C4' | C3' | H4' | 123.4° | 116.8° |
| O4' | C4' | C3' | O3' | 154.9° | 154.5° |
| O4' | C4' | C3' | C2' | 39.8° | 33.4° |
| C4' | O4' | C1' | C2' | 6.4° | 2.5° |
| C4' | O4' | C1' | N9 | 113.8° | 128.4° |
| O4' | C4' | C5' | H5'1 | 165.3° | 178.9° |
| O4' | C4' | C5' | H5'2 | 44.1° | 59.8° |
| O4' | C4' | C3' | H3' | 83.9° | 84.1° |
| C4' | O4' | C1' | H1' | 128.9° | 114.1° |
| C3' | C4' | O4' | C1' | 22.2° | 22.8° |
| C4' | C3' | O3' | C2' | 101.2° | 114.3° |
| C4' | C3' | O3' | H3' | 131.3° | 122.2° |
| C4' | C3' | C2' | H3' | 129.6° | 118.5° |
| C4' | C3' | C2' | O2' | 79.1° | 88.6° |
| C4' | C3' | C2' | C1' | 42.7° | 31.3° |
| C3' | C4' | C5' | H5'1 | 76.4° | 61.3° |
| C3' | C4' | C5' | H5'2 | 162.3° | 57.9° |
| C4' | C3' | O3' | HA | 111.1° | 171.8° |
| C4' | C3' | C2' | H2' | 163.8° | 148.0° |
| O4' | C1' | C2' | C3' | 33.1° | 18.6° |
| O4' | C1' | C2' | O2' | 88.9° | 102.2° |
| O4' | C1' | C2' | N9 | 122.6° | 120.7° |
| O4' | C1' | C2' | H1' | 120.0° | 116.1° |
| O4' | C1' | N9 | H1' | 120.0° | 116.6° |
| O4' | C1' | N9 | C8 | 5.3° | 72.5° |
| O4' | C1' | N9 | C4 | 172.1° | 105.9° |
| C1' | O4' | C4' | H4' | 96.1° | 94.3° |
| O4' | C1' | C2' | H2' | 154.0° | 135.6° |
| O3' | C3' | C2' | H3' | 123.3° | 123.5° |
| O3' | C3' | C2' | O2' | 28.0° | 29.4° |
| O3' | C3' | C2' | C1' | 149.9° | 149.3° |
| O3' | C3' | C4' | H4' | 31.5° | 37.7° |
| O3' | C3' | C2' | H2' | 89.0° | 94.0° |
| C3' | C2' | O2' | C1' | 118.3° | 114.8° |
| C3' | C2' | O2' | H2' | 120.7° | 123.3° |
| C3' | C2' | C1' | H2' | 120.9° | 116.9° |
| C3' | C2' | C1' | N9 | 89.5° | 102.0° |
| C2' | C3' | C4' | H4' | 83.6° | 83.4° |
| C3' | C2' | C1' | H1' | 153.2° | 134.7° |
| C2' | C3' | O3' | HA | 9.9° | 73.9° |
| C3' | C2' | O2' | HB | 159.4° | 169.3° |
| O2' | C2' | C1' | H2' | 117.1° | 122.2° |
| O2' | C2' | C1' | N9 | 148.5° | 137.1° |
| O2' | C2' | C3' | H3' | 151.3° | 152.9° |
| O2' | C2' | C1' | H1' | 31.1° | 13.9° |
| C2' | C1' | N9 | H1' | 122.5° | 123.0° |
| C2' | C1' | N9 | C8 | 112.3° | 47.9° |
| C2' | C1' | N9 | C4 | 70.4° | 133.6° |
| C1' | C2' | C3' | H3' | 86.8° | 87.2° |
| C1' | C2' | O2' | HB | 82.3° | 75.9° |
| C1' | N9 | C8 | C4 | 177.6° | 178.7° |
| C1' | N9 | C8 | N7 | 178.1° | 179.6° |
| C1' | N9 | C4 | C5 | 177.3° | 179.4° |
| C1' | N9 | C4 | N3 | 1.3° | 0.8° |
| N9 | C1' | C2' | H2' | 31.4° | 14.9° |
| C1' | N9 | C8 | H8 | 2.0° | 1.3° |
| N9 | C8 | N7 | H8 | 180.0° | 179.1° |
| N9 | C8 | N7 | C5 | 1.1° | 0.7° |
| C8 | N9 | C4 | C5 | 0.3° | 0.6° |
| C8 | N9 | C4 | N3 | 178.8° | 179.6° |
| C8 | N9 | C1' | H1' | 125.3° | 170.9° |
| C4 | N9 | C8 | N7 | 0.5° | 0.9° |
| N9 | C4 | C5 | N7 | 1.1° | 0.2° |
| N9 | C4 | C5 | C6 | 178.7° | 179.8° |
| N9 | C4 | C5 | N3 | 179.0° | 179.8° |
| N9 | C4 | N3 | C2 | 179.1° | 179.9° |
| C4 | N9 | C1' | H1' | 52.1° | 10.7° |
| C4 | N9 | C8 | H8 | 179.5° | 180.0° |
| C8 | N7 | C5 | C6 | 178.3° | 179.7° |
| C8 | N7 | C5 | C4 | 1.3° | 0.3° |
| N7 | C5 | C6 | C4 | 179.7° | 180.0° |
| N7 | C5 | C6 | N6 | 0.5° | 0.1° |
| N7 | C5 | C6 | N1 | 179.0° | 179.9° |
| N7 | C5 | C4 | N3 | 180.0° | 180.0° |
| C5 | N7 | C8 | H8 | 178.9° | 179.8° |
| C5 | C6 | N6 | N1 | 179.5° | 179.7° |
| C5 | C6 | N1 | C2 | 1.3° | 0.1° |
| C6 | C5 | C4 | N3 | 0.3° | 0.0° |
| C5 | C6 | N6 | H61N | 14.0° | 179.9° |
| C5 | C6 | N6 | H62N | 134.0° | 0.1° |
| C4 | C5 | C6 | N6 | 179.2° | 179.9° |
| C4 | C5 | C6 | N1 | 1.3° | 0.1° |
| C5 | C4 | N3 | C2 | 0.8° | 0.1° |
| N6 | C6 | N1 | C2 | 179.2° | 179.9° |
| C6 | N6 | H61N | H62N | 120.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| N1 | C6 | N6 | H61N | 165.5° | 0.2° |
| N1 | C6 | N6 | H62N | 45.5° | 179.8° |
| C6 | N1 | C2 | H2 | 179.8° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.9° | 0.1° |
| C4 | N3 | C2 | H2 | 179.1° | 180.0° |
| O1G | VG | O2G | O3G | 171.0° | 179.1° |
| O1G | VG | O2G | O4G | 88.2° | 89.8° |
| O1G | VG | O3G | O4G | 86.1° | 75.0° |
| O1G | VG | O2G | H2G1 | 73.1° | 118.0° |
| O1G | VG | O3G | H3G1 | 146.4° | 126.0° |
| O1G | VG | O4G | H4G1 | 80.9° | 141.7° |
| O2G | VG | O3G | O4G | 80.0° | 103.1° |
| O2G | VG | O3G | H3G1 | 47.5° | 52.0° |
| O2G | VG | O4G | H4G1 | 22.7° | 39.0° |
| O3G | VG | O2G | H2G1 | 115.9° | 61.2° |
| O3G | VG | O4G | H4G1 | 138.3° | 63.3° |
| O4G | VG | O2G | H2G1 | 161.2° | 28.2° |
| O4G | VG | O3G | H3G1 | 127.4° | 51.1° |
| H5'1 | C5' | C4' | H4' | 42.0° | 62.6° |
| H5'2 | C5' | C4' | H4' | 79.3° | 178.2° |
| H4' | C4' | C3' | H3' | 152.7° | 159.1° |
| H3' | C3' | O3' | HA | 117.6° | 49.6° |
| H3' | C3' | C2' | H2' | 34.3° | 29.5° |
| H1' | C1' | C2' | H2' | 86.0° | 108.4° |
| H2' | C2' | O2' | HB | 38.6° | 46.0° |
