AD9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| VG | O1G | doub | 1.60Å | 1.60Å | |
| VG | O2G | sing | 1.67Å | 1.67Å | |
| VG | O3G | sing | 1.78Å | 1.78Å | |
| VG | O3B | sing | 1.77Å | 1.77Å | |
| PB | O1B | doub | 1.68Å | 1.68Å | |
| PB | O2B | sing | 1.58Å | 1.58Å | |
| PB | O3B | sing | 1.52Å | 1.52Å | |
| PB | O3A | sing | 1.63Å | 1.63Å | |
| PA | O1A | doub | 1.54Å | 1.54Å | |
| PA | O2A | sing | 1.71Å | 1.71Å | |
| PA | O3A | sing | 1.64Å | 1.64Å | |
| PA | O5' | sing | 1.61Å | 1.61Å | |
| O5' | C5' | sing | 1.47Å | 1.47Å | |
| C5' | C4' | sing | 1.50Å | 1.50Å | |
| C4' | O4' | sing | 1.47Å | 1.47Å | |
| C4' | C3' | sing | 1.54Å | 1.54Å | |
| O4' | C1' | sing | 1.47Å | 1.47Å | |
| C3' | O3' | sing | 1.46Å | 1.46Å | |
| C3' | C2' | sing | 1.55Å | 1.55Å | |
| C2' | O2' | sing | 1.46Å | 1.46Å | |
| C2' | C1' | sing | 1.56Å | 1.56Å | |
| C1' | N9 | sing | 1.47Å | 1.47Å | |
| N9 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| N9 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | N7 | doub | 1.32Å | 1.32Å | Aromatic |
| N7 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.43Å | 1.43Å | Aromatic |
| C5 | C4 | doub | 1.42Å | 1.42Å | Aromatic |
| C6 | N6 | sing | 1.36Å | 1.36Å | |
| C6 | N1 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C2 | sing | 1.37Å | 1.37Å | Aromatic |
| C2 | N3 | doub | 1.36Å | 1.36Å | Aromatic |
| C4 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| O2G | H2G1 | sing | 0.95Å | 0.95Å | |
| O3G | H3G1 | sing | 0.95Å | 0.95Å | |
| O2B | H2B | sing | 0.95Å | 0.95Å | |
| O2A | H2A | sing | 0.95Å | 0.95Å | |
| C5' | H5'1 | sing | 1.10Å | 1.10Å | |
| C5' | H5'2 | sing | 1.10Å | 1.10Å | |
| C4' | H4' | sing | 1.10Å | 1.10Å | |
| C3' | H3' | sing | 1.10Å | 1.10Å | |
| C1' | H1' | sing | 1.10Å | 1.10Å | |
| O3' | HA | sing | 0.95Å | 0.95Å | |
| C2' | H2' | sing | 1.10Å | 1.10Å | |
| O2' | HB | sing | 0.95Å | 0.95Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N6 | H6N1 | sing | 1.00Å | 1.00Å | |
| N6 | H6N2 | sing | 1.00Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | VG | O2G | 109.5° | 109.5° |
| O1G | VG | O3G | 114.5° | 114.5° |
| O1G | VG | O3B | 104.6° | 104.6° |
| O2G | VG | O3G | 114.1° | 114.1° |
| O2G | VG | O3B | 99.5° | 99.5° |
| VG | O2G | H2G1 | 109.5° | 109.5° |
| O3G | VG | O3B | 113.3° | 113.3° |
| VG | O3G | H3G1 | 109.5° | 109.5° |
| VG | O3B | PB | 164.4° | 164.4° |
| O1B | PB | O2B | 113.5° | 113.5° |
| O1B | PB | O3B | 98.3° | 98.3° |
| O1B | PB | O3A | 101.4° | 101.4° |
| O2B | PB | O3B | 118.2° | 118.2° |
| O2B | PB | O3A | 110.5° | 110.5° |
| PB | O2B | H2B | 109.5° | 109.5° |
| O3B | PB | O3A | 113.0° | 113.0° |
| PB | O3A | PA | 130.5° | 130.5° |
| O1A | PA | O2A | 115.9° | 115.9° |
| O1A | PA | O3A | 116.0° | 116.0° |
| O1A | PA | O5' | 118.2° | 118.2° |
| O2A | PA | O3A | 102.4° | 102.4° |
| O2A | PA | O5' | 102.5° | 102.5° |
| PA | O2A | H2A | 109.5° | 109.5° |
| O3A | PA | O5' | 99.2° | 99.2° |
| PA | O5' | C5' | 127.9° | 127.9° |
| O5' | C5' | C4' | 109.2° | 109.2° |
| O5' | C5' | H5'1 | 109.6° | 109.6° |
| O5' | C5' | H5'2 | 109.7° | 109.7° |
| C5' | C4' | O4' | 107.7° | 107.7° |
| C5' | C4' | C3' | 114.8° | 114.8° |
| C4' | C5' | H5'1 | 109.6° | 109.6° |
| C4' | C5' | H5'2 | 109.6° | 109.6° |
| C5' | C4' | H4' | 105.0° | 105.0° |
| O4' | C4' | C3' | 101.6° | 101.6° |
| C4' | O4' | C1' | 110.5° | 110.5° |
| O4' | C4' | H4' | 117.5° | 117.5° |
| C4' | C3' | O3' | 111.3° | 111.3° |
| C4' | C3' | C2' | 101.4° | 101.4° |
| C3' | C4' | H4' | 110.7° | 110.7° |
| C4' | C3' | H3' | 115.0° | 115.0° |
| O4' | C1' | C2' | 104.9° | 104.9° |
| O4' | C1' | N9 | 109.8° | 109.8° |
| O4' | C1' | H1' | 114.3° | 114.3° |
| O3' | C3' | C2' | 113.4° | 113.4° |
| O3' | C3' | H3' | 103.3° | 103.3° |
| C3' | O3' | HA | 109.5° | 109.5° |
| C3' | C2' | O2' | 112.0° | 112.0° |
| C3' | C2' | C1' | 100.2° | 100.2° |
| C2' | C3' | H3' | 112.9° | 112.9° |
| C3' | C2' | H2' | 113.0° | 113.0° |
| O2' | C2' | C1' | 106.8° | 106.8° |
| O2' | C2' | H2' | 107.0° | 107.0° |
| C2' | O2' | HB | 109.5° | 109.5° |
| C2' | C1' | N9 | 114.7° | 114.7° |
| C2' | C1' | H1' | 109.2° | 109.2° |
| C1' | C2' | H2' | 117.8° | 117.8° |
| C1' | N9 | C8 | 128.8° | 128.8° |
| C1' | N9 | C4 | 125.4° | 125.4° |
| N9 | C1' | H1' | 104.3° | 104.3° |
| C8 | N9 | C4 | 105.8° | 105.8° |
| N9 | C8 | N7 | 113.2° | 113.2° |
| N9 | C8 | H8 | 123.4° | 123.4° |
| N9 | C4 | C5 | 105.4° | 105.4° |
| N9 | C4 | N3 | 128.6° | 128.6° |
| C8 | N7 | C5 | 104.8° | 104.8° |
| N7 | C8 | H8 | 123.4° | 123.4° |
| N7 | C5 | C6 | 133.1° | 133.1° |
| N7 | C5 | C4 | 110.8° | 110.8° |
| C6 | C5 | C4 | 116.1° | 116.1° |
| C5 | C6 | N6 | 122.9° | 122.9° |
| C5 | C6 | N1 | 118.7° | 118.7° |
| C5 | C4 | N3 | 126.0° | 126.0° |
| N6 | C6 | N1 | 118.4° | 118.4° |
| C6 | N6 | H6N1 | 109.5° | 109.5° |
| C6 | N6 | H6N2 | 109.5° | 109.5° |
| C6 | N1 | C2 | 119.7° | 119.7° |
| N1 | C2 | N3 | 126.3° | 126.3° |
| N1 | C2 | H2 | 116.9° | 116.9° |
| C2 | N3 | C4 | 113.2° | 113.2° |
| N3 | C2 | H2 | 116.8° | 116.8° |
| H5'1 | C5' | H5'2 | 109.2° | 109.2° |
| H6N1 | N6 | H6N2 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | VG | O2G | O3G | 129.8° | 129.8° |
| O1G | VG | O2G | O3B | 109.3° | 109.3° |
| O1G | VG | O3G | O3B | 119.8° | 119.8° |
| O1G | VG | O3B | PB | 16.9° | 16.9° |
| O1G | VG | O2G | H2G1 | 74.0° | 74.0° |
| O1G | VG | O3G | H3G1 | 114.0° | 114.0° |
| O2G | VG | O3G | O3B | 112.9° | 112.9° |
| O2G | VG | O3B | PB | 130.1° | 130.1° |
| O2G | VG | O3G | H3G1 | 118.7° | 118.7° |
| O3G | VG | O3B | PB | 108.5° | 108.5° |
| O3G | VG | O2G | H2G1 | 55.8° | 55.8° |
| VG | O3B | PB | O1B | 121.3° | 121.3° |
| VG | O3B | PB | O2B | 1.2° | 1.2° |
| VG | O3B | PB | O3A | 132.5° | 132.5° |
| O3B | VG | O2G | H2G1 | 176.8° | 176.8° |
| O3B | VG | O3G | H3G1 | 5.8° | 5.8° |
| O1B | PB | O2B | O3B | 114.4° | 114.4° |
| O1B | PB | O2B | O3A | 113.1° | 113.1° |
| O1B | PB | O3B | O3A | 106.2° | 106.2° |
| O1B | PB | O3A | PA | 2.4° | 2.4° |
| O1B | PB | O2B | H2B | 86.3° | 86.3° |
| O2B | PB | O3B | O3A | 131.3° | 131.3° |
| O2B | PB | O3A | PA | 118.3° | 118.3° |
| O3B | PB | O3A | PA | 106.7° | 106.7° |
| O3B | PB | O2B | H2B | 28.2° | 28.2° |
| PB | O3A | PA | O1A | 48.8° | 48.8° |
| PB | O3A | PA | O2A | 78.5° | 78.5° |
| PB | O3A | PA | O5' | 176.5° | 176.5° |
| O3A | PB | O2B | H2B | 160.6° | 160.6° |
| O1A | PA | O2A | O3A | 127.3° | 127.3° |
| O1A | PA | O2A | O5' | 130.3° | 130.3° |
| O1A | PA | O3A | O5' | 127.7° | 127.7° |
| O1A | PA | O5' | C5' | 153.5° | 153.5° |
| O1A | PA | O2A | H2A | 82.4° | 82.4° |
| O2A | PA | O3A | O5' | 105.0° | 105.0° |
| O2A | PA | O5' | C5' | 24.6° | 24.6° |
| O3A | PA | O5' | C5' | 80.3° | 80.3° |
| O3A | PA | O2A | H2A | 150.3° | 150.3° |
| PA | O5' | C5' | C4' | 138.5° | 138.5° |
| O5' | PA | O2A | H2A | 47.9° | 47.9° |
| PA | O5' | C5' | H5'1 | 18.5° | 18.5° |
| PA | O5' | C5' | H5'2 | 101.3° | 101.3° |
| O5' | C5' | C4' | H5'1 | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'2 | 120.1° | 120.1° |
| O5' | C5' | C4' | O4' | 53.9° | 53.9° |
| O5' | C5' | C4' | C3' | 58.3° | 58.3° |
| O5' | C5' | H5'1 | H5'2 | 120.2° | 120.2° |
| O5' | C5' | C4' | H4' | 179.9° | 179.9° |
| C5' | C4' | O4' | C3' | 120.9° | 120.9° |
| C5' | C4' | O4' | H4' | 118.1° | 118.2° |
| C5' | C4' | C3' | H4' | 118.6° | 118.6° |
| C5' | C4' | O4' | C1' | 147.2° | 147.2° |
| C5' | C4' | C3' | O3' | 79.8° | 79.8° |
| C5' | C4' | C3' | C2' | 159.3° | 159.3° |
| C4' | C5' | H5'1 | H5'2 | 120.1° | 120.1° |
| C5' | C4' | C3' | H3' | 37.2° | 37.2° |
| O4' | C4' | C3' | H4' | 125.6° | 125.5° |
| O4' | C4' | C3' | O3' | 164.4° | 164.4° |
| O4' | C4' | C3' | C2' | 43.5° | 43.5° |
| C4' | O4' | C1' | C2' | 1.5° | 1.5° |
| C4' | O4' | C1' | N9 | 122.3° | 122.3° |
| O4' | C4' | C5' | H5'1 | 173.9° | 173.9° |
| O4' | C4' | C5' | H5'2 | 66.2° | 66.2° |
| O4' | C4' | C3' | H3' | 78.6° | 78.6° |
| C4' | O4' | C1' | H1' | 121.0° | 121.0° |
| C3' | C4' | O4' | C1' | 26.2° | 26.2° |
| C4' | C3' | O3' | C2' | 113.6° | 113.6° |
| C4' | C3' | O3' | H3' | 123.9° | 123.9° |
| C4' | C3' | C2' | H3' | 123.5° | 123.5° |
| C4' | C3' | C2' | O2' | 69.0° | 69.0° |
| C4' | C3' | C2' | C1' | 43.8° | 43.8° |
| C3' | C4' | C5' | H5'1 | 61.7° | 61.7° |
| C3' | C4' | C5' | H5'2 | 178.5° | 178.5° |
| C4' | C3' | O3' | HA | 124.2° | 124.2° |
| C4' | C3' | C2' | H2' | 170.0° | 170.0° |
| O4' | C1' | C2' | C3' | 28.3° | 28.3° |
| O4' | C1' | C2' | O2' | 88.5° | 88.5° |
| O4' | C1' | C2' | N9 | 120.5° | 120.5° |
| O4' | C1' | C2' | H1' | 122.9° | 122.9° |
| O4' | C1' | N9 | H1' | 122.8° | 122.8° |
| O4' | C1' | N9 | C8 | 1.6° | 1.6° |
| O4' | C1' | N9 | C4 | 177.8° | 177.8° |
| C1' | O4' | C4' | H4' | 94.7° | 94.7° |
| O4' | C1' | C2' | H2' | 151.2° | 151.2° |
| O3' | C3' | C2' | H3' | 117.1° | 117.1° |
| O3' | C3' | C2' | O2' | 50.4° | 50.4° |
| O3' | C3' | C2' | C1' | 163.2° | 163.2° |
| O3' | C3' | C4' | H4' | 38.8° | 38.8° |
| O3' | C3' | C2' | H2' | 70.6° | 70.6° |
| C3' | C2' | O2' | C1' | 108.7° | 108.7° |
| C3' | C2' | O2' | H2' | 124.4° | 124.4° |
| C3' | C2' | C1' | H2' | 122.9° | 122.9° |
| C3' | C2' | C1' | N9 | 92.2° | 92.2° |
| C2' | C3' | C4' | H4' | 82.1° | 82.0° |
| C3' | C2' | C1' | H1' | 151.2° | 151.2° |
| C2' | C3' | O3' | HA | 10.6° | 10.6° |
| C3' | C2' | O2' | HB | 172.0° | 172.0° |
| O2' | C2' | C1' | H2' | 120.3° | 120.3° |
| O2' | C2' | C1' | N9 | 151.0° | 151.0° |
| O2' | C2' | C3' | H3' | 167.4° | 167.4° |
| O2' | C2' | C1' | H1' | 34.3° | 34.3° |
| C2' | C1' | N9 | H1' | 119.4° | 119.4° |
| C2' | C1' | N9 | C8 | 116.2° | 116.2° |
| C2' | C1' | N9 | C4 | 64.4° | 64.4° |
| C1' | C2' | C3' | H3' | 79.7° | 79.7° |
| C1' | C2' | O2' | HB | 79.3° | 79.3° |
| C1' | N9 | C8 | C4 | 179.5° | 179.5° |
| C1' | N9 | C8 | N7 | 179.3° | 179.3° |
| C1' | N9 | C4 | C5 | 179.2° | 179.2° |
| C1' | N9 | C4 | N3 | 0.4° | 0.4° |
| N9 | C1' | C2' | H2' | 30.7° | 30.7° |
| C1' | N9 | C8 | H8 | 0.7° | 0.7° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.1° | 0.1° |
| C8 | N9 | C4 | C5 | 0.3° | 0.3° |
| C8 | N9 | C4 | N3 | 179.9° | 179.9° |
| C8 | N9 | C1' | H1' | 124.4° | 124.4° |
| C4 | N9 | C8 | N7 | 0.1° | 0.1° |
| N9 | C4 | C5 | N7 | 0.4° | 0.4° |
| N9 | C4 | C5 | C6 | 179.5° | 179.5° |
| N9 | C4 | C5 | N3 | 179.6° | 179.6° |
| N9 | C4 | N3 | C2 | 179.6° | 179.6° |
| C4 | N9 | C1' | H1' | 55.0° | 55.0° |
| C4 | N9 | C8 | H8 | 179.9° | 179.9° |
| C8 | N7 | C5 | C6 | 179.5° | 179.5° |
| C8 | N7 | C5 | C4 | 0.4° | 0.4° |
| N7 | C5 | C6 | C4 | 179.9° | 179.9° |
| N7 | C5 | C6 | N6 | 0.3° | 0.3° |
| N7 | C5 | C6 | N1 | 180.0° | 180.0° |
| N7 | C5 | C4 | N3 | 180.0° | 180.0° |
| C5 | N7 | C8 | H8 | 179.9° | 179.9° |
| C5 | C6 | N6 | N1 | 179.7° | 179.7° |
| C5 | C6 | N1 | C2 | 0.0° | 0.0° |
| C6 | C5 | C4 | N3 | 0.1° | 0.1° |
| C5 | C6 | N6 | H6N1 | 37.5° | 37.5° |
| C5 | C6 | N6 | H6N2 | 157.5° | 157.5° |
| C4 | C5 | C6 | N6 | 179.6° | 179.6° |
| C4 | C5 | C6 | N1 | 0.1° | 0.1° |
| C5 | C4 | N3 | C2 | 0.1° | 0.1° |
| N6 | C6 | N1 | C2 | 179.8° | 179.8° |
| C6 | N6 | H6N1 | H6N2 | 120.0° | 120.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.2° |
| N1 | C6 | N6 | H6N1 | 142.8° | 142.8° |
| N1 | C6 | N6 | H6N2 | 22.8° | 22.8° |
| C6 | N1 | C2 | H2 | 179.8° | 179.8° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.3° |
| C4 | N3 | C2 | H2 | 179.7° | 179.7° |
| H5'1 | C5' | C4' | H4' | 60.1° | 60.1° |
| H5'2 | C5' | C4' | H4' | 59.8° | 59.7° |
| H4' | C4' | C3' | H3' | 155.8° | 155.8° |
| H3' | C3' | O3' | HA | 111.9° | 111.9° |
| H3' | C3' | C2' | H2' | 46.4° | 46.4° |
| H1' | C1' | C2' | H2' | 86.0° | 86.0° |
| H2' | C2' | O2' | HB | 47.7° | 47.7° |
