AGS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PG | S1G | doub | 1.86Å | 2.02Å | |
| PG | O2G | sing | 1.61Å | 1.58Å | |
| PG | O3G | sing | 1.61Å | 1.52Å | |
| PG | O3B | sing | 1.61Å | 1.62Å | |
| PB | O1B | doub | 1.48Å | 1.47Å | |
| PB | O2B | sing | 1.61Å | 1.55Å | |
| PB | O3B | sing | 1.61Å | 1.62Å | |
| PB | O3A | sing | 1.61Å | 1.57Å | |
| PA | O1A | doub | 1.48Å | 1.58Å | |
| PA | O2A | sing | 1.61Å | 1.53Å | |
| PA | O3A | sing | 1.61Å | 1.55Å | |
| PA | O5' | sing | 1.61Å | 1.61Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| O4' | C1' | sing | 1.44Å | 1.36Å | |
| C3' | O3' | sing | 1.43Å | 1.46Å | |
| C3' | C2' | sing | 1.55Å | 1.54Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | C1' | sing | 1.55Å | 1.50Å | |
| C1' | N9 | sing | 1.47Å | 1.45Å | |
| N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.35Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.34Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.25Å | |
| C6 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.37Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.30Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
| O2G | HOG2 | sing | 0.97Å | 0.95Å | |
| O3G | H21 | sing | 0.97Å | 0.95Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1G | PG | O2G | 107.2° | 109.4° |
| S1G | PG | O3G | 109.8° | 109.5° |
| S1G | PG | O3B | 111.3° | 109.5° |
| O2G | PG | O3G | 111.7° | 109.5° |
| O2G | PG | O3B | 103.4° | 109.4° |
| PG | O2G | HOG2 | 109.5° | 114.0° |
| O3G | PG | O3B | 113.1° | 109.5° |
| PG | O3G | H21 | 109.5° | 114.0° |
| PG | O3B | PB | 130.7° | 134.0° |
| O1B | PB | O2B | 118.2° | 109.5° |
| O1B | PB | O3B | 110.0° | 109.5° |
| O1B | PB | O3A | 108.6° | 109.5° |
| O2B | PB | O3B | 106.9° | 109.5° |
| O2B | PB | O3A | 111.7° | 109.5° |
| PB | O2B | HOB2 | 109.5° | 114.0° |
| O3B | PB | O3A | 99.7° | 109.4° |
| PB | O3A | PA | 131.0° | 134.0° |
| O1A | PA | O2A | 108.7° | 109.5° |
| O1A | PA | O3A | 114.2° | 109.5° |
| O1A | PA | O5' | 107.5° | 109.5° |
| O2A | PA | O3A | 111.7° | 109.5° |
| O2A | PA | O5' | 114.6° | 109.5° |
| PA | O2A | HOA2 | 109.5° | 114.0° |
| O3A | PA | O5' | 99.9° | 109.5° |
| PA | O5' | C5' | 118.6° | 123.0° |
| O5' | C5' | C4' | 108.7° | 109.4° |
| O5' | C5' | H5'1 | 109.7° | 109.5° |
| O5' | C5' | H5'2 | 109.7° | 109.5° |
| C5' | C4' | O4' | 109.4° | 109.9° |
| C5' | C4' | C3' | 115.5° | 109.8° |
| C4' | C5' | H5'1 | 109.6° | 109.5° |
| C4' | C5' | H5'2 | 109.7° | 109.5° |
| C5' | C4' | H4' | 109.4° | 109.9° |
| O4' | C4' | C3' | 102.6° | 107.3° |
| C4' | O4' | C1' | 110.3° | 107.0° |
| O4' | C4' | H4' | 110.5° | 109.9° |
| C4' | C3' | O3' | 114.1° | 110.5° |
| C4' | C3' | C2' | 97.2° | 104.2° |
| C3' | C4' | H4' | 109.3° | 109.9° |
| C4' | C3' | H3' | 107.7° | 110.5° |
| O4' | C1' | C2' | 106.8° | 103.5° |
| O4' | C1' | N9 | 112.0° | 110.6° |
| O4' | C1' | H1' | 109.3° | 110.6° |
| O3' | C3' | C2' | 120.7° | 110.5° |
| O3' | C3' | H3' | 108.5° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C2' | O2' | 115.5° | 110.9° |
| C3' | C2' | C1' | 100.7° | 102.1° |
| C2' | C3' | H3' | 107.6° | 110.6° |
| C3' | C2' | H2' | 110.3° | 110.9° |
| O2' | C2' | C1' | 106.9° | 110.9° |
| O2' | C2' | H2' | 111.8° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C1' | N9 | 112.9° | 110.6° |
| C1' | C2' | H2' | 111.0° | 110.9° |
| C2' | C1' | H1' | 107.5° | 110.6° |
| C1' | N9 | C8 | 132.0° | 126.3° |
| C1' | N9 | C4 | 120.7° | 126.3° |
| N9 | C1' | H1' | 108.1° | 110.7° |
| C8 | N9 | C4 | 107.1° | 107.4° |
| N9 | C8 | N7 | 112.3° | 110.0° |
| N9 | C8 | H8 | 123.9° | 125.0° |
| N9 | C4 | C5 | 106.6° | 106.0° |
| N9 | C4 | N3 | 124.3° | 134.9° |
| C8 | N7 | C5 | 103.5° | 109.4° |
| N7 | C8 | H8 | 123.8° | 125.0° |
| N7 | C5 | C6 | 132.0° | 134.7° |
| N7 | C5 | C4 | 110.0° | 107.2° |
| C6 | C5 | C4 | 118.0° | 118.2° |
| C5 | C6 | N6 | 127.8° | 120.7° |
| C5 | C6 | N1 | 112.1° | 118.5° |
| C5 | C4 | N3 | 128.9° | 119.1° |
| N6 | C6 | N1 | 120.1° | 120.8° |
| C6 | N6 | HN61 | 109.5° | 120.0° |
| C6 | N6 | HN62 | 109.5° | 120.0° |
| C6 | N1 | C2 | 125.3° | 121.2° |
| N1 | C2 | N3 | 124.0° | 122.4° |
| N1 | C2 | H2 | 118.0° | 118.8° |
| C2 | N3 | C4 | 111.6° | 120.7° |
| N3 | C2 | H2 | 118.0° | 118.8° |
| H5'1 | C5' | H5'2 | 109.4° | 109.5° |
| HN61 | N6 | HN62 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1G | PG | O2G | O3G | 120.3° | 120.0° |
| S1G | PG | O2G | O3B | 117.7° | 120.0° |
| S1G | PG | O3G | O3B | 125.1° | 120.0° |
| S1G | PG | O3B | PB | 83.7° | 60.1° |
| S1G | PG | O2G | HOG2 | 0.0° | 60.0° |
| S1G | PG | O3G | H21 | 0.0° | 180.0° |
| O2G | PG | O3G | O3B | 116.1° | 120.0° |
| O2G | PG | O3B | PB | 161.5° | 180.0° |
| O2G | PG | O3G | H21 | 118.8° | 60.0° |
| O3G | PG | O3B | PB | 40.6° | 60.0° |
| O3G | PG | O2G | HOG2 | 120.3° | 59.9° |
| PG | O3B | PB | O1B | 105.6° | 40.0° |
| PG | O3B | PB | O2B | 24.0° | 80.1° |
| PG | O3B | PB | O3A | 140.4° | 160.0° |
| O3B | PG | O2G | HOG2 | 117.7° | 180.0° |
| O3B | PG | O3G | H21 | 125.1° | 60.0° |
| O1B | PB | O2B | O3B | 124.7° | 120.0° |
| O1B | PB | O2B | O3A | 127.1° | 120.0° |
| O1B | PB | O3B | O3A | 114.0° | 120.0° |
| O1B | PB | O3A | PA | 126.5° | 45.0° |
| O1B | PB | O2B | HOB2 | 0.0° | 180.0° |
| O2B | PB | O3B | O3A | 116.4° | 120.0° |
| O2B | PB | O3A | PA | 5.7° | 75.0° |
| O3B | PB | O3A | PA | 118.5° | 165.0° |
| O3B | PB | O2B | HOB2 | 124.7° | 60.0° |
| PB | O3A | PA | O1A | 59.7° | 40.0° |
| PB | O3A | PA | O2A | 64.2° | 80.0° |
| PB | O3A | PA | O5' | 174.1° | 160.0° |
| O3A | PB | O2B | HOB2 | 127.1° | 60.0° |
| O1A | PA | O2A | O3A | 126.9° | 120.0° |
| O1A | PA | O2A | O5' | 120.3° | 120.0° |
| O1A | PA | O3A | O5' | 114.4° | 120.0° |
| O1A | PA | O5' | C5' | 145.1° | 55.0° |
| O1A | PA | O2A | HOA2 | 0.0° | 180.0° |
| O2A | PA | O3A | O5' | 121.7° | 120.0° |
| O2A | PA | O5' | C5' | 24.1° | 65.0° |
| O3A | PA | O5' | C5' | 95.5° | 175.0° |
| O3A | PA | O2A | HOA2 | 126.9° | 60.0° |
| PA | O5' | C5' | C4' | 137.3° | 180.0° |
| O5' | PA | O2A | HOA2 | 120.3° | 60.0° |
| PA | O5' | C5' | H5'1 | 17.4° | 60.0° |
| PA | O5' | C5' | H5'2 | 102.8° | 60.0° |
| O5' | C5' | C4' | H5'1 | 119.9° | 120.0° |
| O5' | C5' | C4' | H5'2 | 119.9° | 120.0° |
| O5' | C5' | C4' | O4' | 50.1° | 66.5° |
| O5' | C5' | C4' | C3' | 65.0° | 175.7° |
| O5' | C5' | H5'1 | H5'2 | 120.3° | 120.0° |
| O5' | C5' | C4' | H4' | 171.2° | 54.6° |
| C5' | C4' | O4' | C3' | 123.1° | 119.4° |
| C5' | C4' | O4' | H4' | 120.4° | 121.1° |
| C5' | C4' | C3' | H4' | 123.8° | 121.1° |
| C5' | C4' | O4' | C1' | 148.3° | 145.9° |
| C5' | C4' | C3' | O3' | 70.4° | 119.9° |
| C5' | C4' | C3' | C2' | 161.2° | 121.5° |
| C4' | C5' | H5'1 | H5'2 | 120.3° | 120.0° |
| C5' | C4' | C3' | H3' | 50.1° | 2.7° |
| O4' | C4' | C3' | H4' | 117.3° | 119.5° |
| O4' | C4' | C3' | O3' | 170.7° | 120.7° |
| O4' | C4' | C3' | C2' | 42.3° | 2.0° |
| C4' | O4' | C1' | C2' | 4.6° | 40.1° |
| C4' | O4' | C1' | N9 | 119.6° | 158.6° |
| O4' | C4' | C5' | H5'1 | 170.0° | 53.5° |
| O4' | C4' | C5' | H5'2 | 69.8° | 173.6° |
| O4' | C4' | C3' | H3' | 68.8° | 116.7° |
| C4' | O4' | C1' | H1' | 120.6° | 78.4° |
| C3' | C4' | O4' | C1' | 25.1° | 26.5° |
| C4' | C3' | O3' | C2' | 115.2° | 114.8° |
| C4' | C3' | O3' | H3' | 120.1° | 122.6° |
| C4' | C3' | C2' | H3' | 111.2° | 118.7° |
| C4' | C3' | C2' | O2' | 70.4° | 139.1° |
| C4' | C3' | C2' | C1' | 44.3° | 20.9° |
| C3' | C4' | C5' | H5'1 | 54.9° | 64.3° |
| C3' | C4' | C5' | H5'2 | 175.1° | 55.7° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | H2' | 161.6° | 97.3° |
| O4' | C1' | C2' | C3' | 31.9° | 37.0° |
| O4' | C1' | C2' | O2' | 89.1° | 155.3° |
| O4' | C1' | C2' | N9 | 123.6° | 118.5° |
| O4' | C1' | C2' | H1' | 117.2° | 118.5° |
| O4' | C1' | N9 | H1' | 120.5° | 123.0° |
| O4' | C1' | N9 | C8 | 11.7° | 23.6° |
| O4' | C1' | N9 | C4 | 161.7° | 156.8° |
| C1' | O4' | C4' | H4' | 91.3° | 93.0° |
| O4' | C1' | C2' | H2' | 148.7° | 81.2° |
| O3' | C3' | C2' | H3' | 125.1° | 122.6° |
| O3' | C3' | C2' | O2' | 53.2° | 20.4° |
| O3' | C3' | C2' | C1' | 167.9° | 97.8° |
| O3' | C3' | C4' | H4' | 53.4° | 1.2° |
| O3' | C3' | C2' | H2' | 74.8° | 144.0° |
| C3' | C2' | O2' | C1' | 111.1° | 112.7° |
| C3' | C2' | O2' | H2' | 127.2° | 123.7° |
| C3' | C2' | C1' | H2' | 116.8° | 118.2° |
| C3' | C2' | C1' | N9 | 91.7° | 155.5° |
| C2' | C3' | C4' | H4' | 75.0° | 117.5° |
| C2' | C3' | O3' | HO3' | 64.8° | 65.2° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.5° |
| C3' | C2' | C1' | H1' | 149.1° | 81.5° |
| O2' | C2' | C1' | H2' | 122.2° | 123.5° |
| O2' | C2' | C1' | N9 | 147.3° | 86.3° |
| O2' | C2' | C3' | H3' | 178.4° | 102.2° |
| O2' | C2' | C1' | H1' | 28.1° | 36.7° |
| C2' | C1' | N9 | H1' | 118.9° | 123.0° |
| C2' | C1' | N9 | C8 | 109.0° | 90.5° |
| C2' | C1' | N9 | C4 | 77.6° | 89.2° |
| C1' | C2' | C3' | H3' | 66.9° | 139.6° |
| C1' | C2' | O2' | HO2' | 68.9° | 174.2° |
| C1' | N9 | C8 | C4 | 174.1° | 179.7° |
| C1' | N9 | C8 | N7 | 167.8° | 179.9° |
| C1' | N9 | C4 | C5 | 170.2° | 179.9° |
| C1' | N9 | C4 | N3 | 5.4° | 0.8° |
| N9 | C1' | C2' | H2' | 25.1° | 37.3° |
| C1' | N9 | C8 | H8 | 12.2° | 0.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 5.1° | 0.0° |
| C8 | N9 | C4 | C5 | 4.7° | 0.4° |
| C8 | N9 | C4 | N3 | 179.8° | 179.5° |
| C8 | N9 | C1' | H1' | 132.2° | 146.5° |
| C4 | N9 | C8 | N7 | 6.3° | 0.2° |
| N9 | C4 | C5 | N7 | 1.7° | 0.4° |
| N9 | C4 | C5 | C6 | 178.1° | 179.8° |
| N9 | C4 | C5 | N3 | 175.3° | 179.3° |
| N9 | C4 | N3 | C2 | 177.1° | 179.6° |
| C4 | N9 | C1' | H1' | 41.2° | 33.8° |
| C4 | N9 | C8 | H8 | 173.7° | 179.7° |
| C8 | N7 | C5 | C6 | 178.2° | 180.0° |
| C8 | N7 | C5 | C4 | 1.9° | 0.3° |
| N7 | C5 | C6 | C4 | 179.8° | 179.7° |
| N7 | C5 | C6 | N6 | 0.5° | 0.0° |
| N7 | C5 | C6 | N1 | 179.9° | 179.9° |
| N7 | C5 | C4 | N3 | 177.0° | 179.7° |
| C5 | N7 | C8 | H8 | 174.9° | 180.0° |
| C5 | C6 | N6 | N1 | 179.6° | 179.9° |
| C5 | C6 | N1 | C2 | 3.0° | 0.0° |
| C6 | C5 | C4 | N3 | 2.9° | 0.5° |
| C5 | C6 | N6 | HN61 | 179.6° | 0.0° |
| C5 | C6 | N6 | HN62 | 60.4° | 179.9° |
| C4 | C5 | C6 | N6 | 179.7° | 179.7° |
| C4 | C5 | C6 | N1 | 0.1° | 0.2° |
| C5 | C4 | N3 | C2 | 2.6° | 0.6° |
| N6 | C6 | N1 | C2 | 177.4° | 180.0° |
| C6 | N6 | HN61 | HN62 | 120.0° | 180.0° |
| C6 | N1 | C2 | N3 | 3.4° | 0.0° |
| N1 | C6 | N6 | HN61 | 0.0° | 180.0° |
| N1 | C6 | N6 | HN62 | 120.0° | 0.0° |
| C6 | N1 | C2 | H2 | 176.6° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.5° | 0.3° |
| C4 | N3 | C2 | H2 | 179.5° | 179.7° |
| H5'1 | C5' | C4' | H4' | 68.9° | 174.6° |
| H5'2 | C5' | C4' | H4' | 51.3° | 65.3° |
| H4' | C4' | C3' | H3' | 174.0° | 123.7° |
| H3' | C3' | O3' | HO3' | 59.9° | 57.5° |
| H3' | C3' | C2' | H2' | 50.4° | 21.4° |
| H2' | C2' | O2' | HO2' | 52.8° | 62.2° |
| H2' | C2' | C1' | H1' | 94.1° | 160.3° |
