Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PG | O1G | doub | 1.48Å | 1.47Å | |
| PG | O2G | sing | 1.61Å | 1.47Å | |
| PG | O3G | sing | 1.61Å | 1.56Å | |
| PG | C3B | sing | 1.82Å | 1.70Å | |
| O2G | HOG2 | sing | 0.97Å | 0.95Å | |
| O3G | HOG3 | sing | 0.97Å | 0.95Å | |
| C3B | PB | sing | 1.82Å | 1.68Å | |
| C3B | H3B1 | sing | 1.09Å | 1.11Å | |
| C3B | H3B2 | sing | 1.09Å | 1.11Å | |
| PB | O1B | doub | 1.48Å | 1.48Å | |
| PB | O2B | sing | 1.61Å | 1.48Å | |
| PB | O3A | sing | 1.61Å | 1.61Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O3A | PA | sing | 1.61Å | 1.64Å | |
| PA | O1A | doub | 1.48Å | 1.49Å | |
| PA | O2A | sing | 1.61Å | 1.48Å | |
| PA | O5' | sing | 1.61Å | 1.61Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | C3' | sing | 1.54Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.45Å | |
| C3' | C2' | sing | 1.55Å | 1.54Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.45Å | |
| C2' | C1' | sing | 1.54Å | 1.54Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.36Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.22Å | |
| C6 | N1 | sing | 1.35Å | 1.37Å | Aromatic |
| N1 | C2 | sing | 1.36Å | 1.36Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| C2 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | sing | 1.34Å | 1.35Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O2G | 109.3° | 109.5° |
| O1G | PG | O3G | 103.4° | 109.4° |
| O1G | PG | C3B | 115.5° | 109.5° |
| O2G | PG | O3G | 101.7° | 109.4° |
| O2G | PG | C3B | 116.2° | 109.5° |
| PG | O2G | HOG2 | 109.2° | 106.9° |
| O3G | PG | C3B | 109.1° | 109.5° |
| PG | O3G | HOG3 | 103.5° | 106.8° |
| PG | C3B | PB | 122.8° | 109.5° |
| PG | C3B | H3B1 | 107.5° | 109.5° |
| PG | C3B | H3B2 | 107.4° | 109.5° |
| PB | C3B | H3B1 | 107.5° | 109.4° |
| PB | C3B | H3B2 | 107.5° | 109.5° |
| C3B | PB | O1B | 115.4° | 109.5° |
| C3B | PB | O2B | 114.9° | 109.4° |
| C3B | PB | O3A | 107.5° | 109.4° |
| H3B1 | C3B | H3B2 | 102.4° | 109.5° |
| O1B | PB | O2B | 113.2° | 109.5° |
| O1B | PB | O3A | 100.6° | 109.5° |
| O2B | PB | O3A | 103.1° | 109.5° |
| PB | O2B | HOB2 | 114.9° | 106.8° |
| PB | O3A | PA | 128.8° | 106.8° |
| O3A | PA | O1A | 107.5° | 109.5° |
| O3A | PA | O2A | 110.6° | 109.5° |
| O3A | PA | O5' | 96.9° | 109.5° |
| O1A | PA | O2A | 118.9° | 109.4° |
| O1A | PA | O5' | 109.8° | 109.5° |
| O2A | PA | O5' | 110.9° | 109.5° |
| PA | O2A | HOA2 | 110.6° | 106.8° |
| PA | O5' | C5' | 122.1° | 106.8° |
| O5' | C5' | C4' | 110.5° | 109.5° |
| O5' | C5' | H5'1 | 111.8° | 109.5° |
| O5' | C5' | H5'2 | 111.8° | 109.5° |
| C4' | C5' | H5'1 | 111.9° | 109.4° |
| C4' | C5' | H5'2 | 111.8° | 109.5° |
| C5' | C4' | O4' | 108.6° | 110.4° |
| C5' | C4' | C3' | 111.7° | 110.5° |
| C5' | C4' | H4' | 107.8° | 110.4° |
| H5'1 | C5' | H5'2 | 98.6° | 109.5° |
| O4' | C4' | C3' | 107.3° | 104.8° |
| O4' | C4' | H4' | 112.3° | 110.4° |
| C4' | O4' | C1' | 109.3° | 105.3° |
| C3' | C4' | H4' | 109.2° | 110.4° |
| C4' | C3' | O3' | 108.6° | 110.5° |
| C4' | C3' | C2' | 102.2° | 104.1° |
| C4' | C3' | H3' | 115.1° | 110.5° |
| O4' | C1' | C2' | 105.4° | 104.9° |
| O4' | C1' | N9 | 110.8° | 110.4° |
| O4' | C1' | H1' | 111.7° | 110.4° |
| O3' | C3' | C2' | 111.0° | 110.6° |
| O3' | C3' | H3' | 107.0° | 110.5° |
| C3' | O3' | HO3' | 108.6° | 106.8° |
| C2' | C3' | H3' | 112.9° | 110.6° |
| C3' | C2' | O2' | 115.7° | 110.5° |
| C3' | C2' | C1' | 99.8° | 104.0° |
| C3' | C2' | H2' | 111.7° | 110.5° |
| O2' | C2' | C1' | 108.8° | 110.8° |
| O2' | C2' | H2' | 103.1° | 110.5° |
| C2' | O2' | HO2' | 115.7° | 106.8° |
| C1' | C2' | H2' | 118.3° | 110.4° |
| C2' | C1' | N9 | 110.6° | 110.4° |
| C2' | C1' | H1' | 111.9° | 110.3° |
| N9 | C1' | H1' | 106.6° | 110.3° |
| C1' | N9 | C8 | 128.8° | 126.2° |
| C1' | N9 | C4 | 126.5° | 126.3° |
| C8 | N9 | C4 | 104.7° | 107.5° |
| N9 | C8 | N7 | 115.3° | 109.8° |
| N9 | C8 | H8 | 125.1° | 125.1° |
| N9 | C4 | C5 | 105.7° | 106.1° |
| N9 | C4 | N3 | 126.0° | 134.2° |
| N7 | C8 | H8 | 119.6° | 125.1° |
| C8 | N7 | C5 | 102.7° | 109.3° |
| N7 | C5 | C6 | 129.6° | 134.1° |
| N7 | C5 | C4 | 111.5° | 107.3° |
| C6 | C5 | C4 | 118.7° | 118.6° |
| C5 | C6 | O6 | 128.7° | 120.8° |
| C5 | C6 | N1 | 111.8° | 118.3° |
| C5 | C4 | N3 | 128.2° | 119.7° |
| O6 | C6 | N1 | 119.5° | 120.9° |
| C6 | N1 | C2 | 126.2° | 120.4° |
| C6 | N1 | HN1 | 117.5° | 119.8° |
| C2 | N1 | HN1 | 116.3° | 119.8° |
| N1 | C2 | N2 | 115.7° | 119.1° |
| N1 | C2 | N3 | 121.7° | 121.8° |
| N2 | C2 | N3 | 122.1° | 119.1° |
| C2 | N2 | HN21 | 115.7° | 120.0° |
| C2 | N2 | HN22 | 109.9° | 120.0° |
| C2 | N3 | C4 | 112.2° | 121.2° |
| HN21 | N2 | HN22 | 110.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O2G | O3G | 108.9° | 119.9° |
| O1G | PG | O2G | C3B | 132.8° | 120.1° |
| O1G | PG | O3G | C3B | 123.4° | 120.0° |
| O1G | PG | O2G | HOG2 | 180.0° | 59.9° |
| O1G | PG | O3G | HOG3 | 180.0° | 179.9° |
| O1G | PG | C3B | PB | 179.1° | 60.0° |
| O1G | PG | C3B | H3B1 | 55.7° | 60.0° |
| O1G | PG | C3B | H3B2 | 53.9° | 180.0° |
| O2G | PG | O3G | C3B | 123.3° | 120.0° |
| O2G | PG | O3G | HOG3 | 66.7° | 60.0° |
| O2G | PG | C3B | PB | 51.0° | 180.0° |
| O2G | PG | C3B | H3B1 | 74.2° | 60.0° |
| O2G | PG | C3B | H3B2 | 176.2° | 60.0° |
| O3G | PG | O2G | HOG2 | 71.1° | 60.0° |
| O3G | PG | C3B | PB | 63.2° | 60.0° |
| O3G | PG | C3B | H3B1 | 171.6° | 180.0° |
| O3G | PG | C3B | H3B2 | 62.1° | 60.0° |
| C3B | PG | O2G | HOG2 | 47.3° | 180.0° |
| C3B | PG | O3G | HOG3 | 56.6° | 60.0° |
| PG | C3B | PB | H3B1 | 125.2° | 120.0° |
| PG | C3B | PB | H3B2 | 125.2° | 120.0° |
| PG | C3B | H3B1 | H3B2 | 113.0° | 120.1° |
| PG | C3B | PB | O1B | 79.1° | 60.0° |
| PG | C3B | PB | O2B | 55.5° | 60.0° |
| PG | C3B | PB | O3A | 169.6° | 180.0° |
| PB | C3B | H3B1 | H3B2 | 113.0° | 120.0° |
| C3B | PB | O1B | O2B | 135.3° | 120.0° |
| C3B | PB | O1B | O3A | 115.3° | 120.0° |
| C3B | PB | O2B | O3A | 116.6° | 119.9° |
| C3B | PB | O2B | HOB2 | 179.9° | 60.0° |
| C3B | PB | O3A | PA | 83.9° | 180.0° |
| H3B1 | C3B | PB | O1B | 155.7° | 60.0° |
| H3B1 | C3B | PB | O2B | 69.7° | 180.0° |
| H3B1 | C3B | PB | O3A | 44.4° | 60.0° |
| H3B2 | C3B | PB | O1B | 46.2° | 180.0° |
| H3B2 | C3B | PB | O2B | 179.3° | 60.0° |
| H3B2 | C3B | PB | O3A | 65.2° | 60.0° |
| O1B | PB | O2B | O3A | 107.8° | 120.0° |
| O1B | PB | O2B | HOB2 | 44.4° | 180.0° |
| O1B | PB | O3A | PA | 155.0° | 60.0° |
| O2B | PB | O3A | PA | 37.9° | 60.0° |
| O3A | PB | O2B | HOB2 | 63.4° | 60.0° |
| PB | O3A | PA | O1A | 76.5° | 59.9° |
| PB | O3A | PA | O2A | 54.8° | 60.0° |
| PB | O3A | PA | O5' | 170.2° | 180.0° |
| O3A | PA | O1A | O2A | 126.6° | 120.0° |
| O3A | PA | O1A | O5' | 104.3° | 120.1° |
| O3A | PA | O2A | O5' | 106.2° | 120.1° |
| O3A | PA | O2A | HOA2 | 179.9° | 60.0° |
| O3A | PA | O5' | C5' | 61.8° | 180.0° |
| O1A | PA | O2A | O5' | 128.7° | 120.0° |
| O1A | PA | O2A | HOA2 | 54.9° | 180.0° |
| O1A | PA | O5' | C5' | 173.2° | 60.0° |
| O2A | PA | O5' | C5' | 53.4° | 60.0° |
| O5' | PA | O2A | HOA2 | 73.8° | 60.0° |
| PA | O5' | C5' | C4' | 158.4° | 180.0° |
| PA | O5' | C5' | H5'1 | 33.1° | 60.0° |
| PA | O5' | C5' | H5'2 | 76.3° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.2° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 117.7° | 120.0° |
| O5' | C5' | C4' | O4' | 65.2° | 61.5° |
| O5' | C5' | C4' | C3' | 52.9° | 176.9° |
| O5' | C5' | C4' | H4' | 172.9° | 60.8° |
| C4' | C5' | H5'1 | H5'2 | 117.8° | 120.0° |
| C5' | C4' | O4' | C3' | 120.9° | 119.0° |
| C5' | C4' | O4' | H4' | 119.1° | 122.2° |
| C5' | C4' | C3' | H4' | 119.2° | 122.3° |
| C5' | C4' | O4' | C1' | 121.0° | 159.5° |
| C5' | C4' | C3' | O3' | 147.8° | 98.3° |
| C5' | C4' | C3' | C2' | 94.8° | 142.9° |
| C5' | C4' | C3' | H3' | 27.9° | 24.2° |
| H5'1 | C5' | C4' | O4' | 169.5° | 178.5° |
| H5'1 | C5' | C4' | C3' | 72.3° | 63.1° |
| H5'1 | C5' | C4' | H4' | 47.7° | 59.2° |
| H5'2 | C5' | C4' | O4' | 60.1° | 58.5° |
| H5'2 | C5' | C4' | C3' | 178.2° | 56.9° |
| H5'2 | C5' | C4' | H4' | 61.8° | 179.3° |
| O4' | C4' | C3' | H4' | 121.9° | 118.8° |
| O4' | C4' | C3' | O3' | 93.2° | 142.8° |
| O4' | C4' | C3' | C2' | 24.2° | 24.1° |
| O4' | C4' | C3' | H3' | 146.9° | 94.7° |
| C4' | O4' | C1' | C2' | 24.7° | 40.4° |
| C4' | O4' | C1' | N9 | 144.3° | 159.4° |
| C4' | O4' | C1' | H1' | 97.0° | 78.4° |
| C3' | C4' | O4' | C1' | 0.1° | 40.5° |
| C4' | C3' | O3' | C2' | 111.6° | 114.7° |
| C4' | C3' | O3' | H3' | 124.8° | 122.6° |
| C4' | C3' | C2' | H3' | 124.2° | 118.6° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | O2' | 153.2° | 118.8° |
| C4' | C3' | C2' | C1' | 36.7° | 0.1° |
| C4' | C3' | C2' | H2' | 89.1° | 118.6° |
| H4' | C4' | O4' | C1' | 119.9° | 78.3° |
| H4' | C4' | C3' | O3' | 28.7° | 24.0° |
| H4' | C4' | C3' | C2' | 146.1° | 94.7° |
| H4' | C4' | C3' | H3' | 91.2° | 146.6° |
| O4' | C1' | C2' | C3' | 38.3° | 23.8° |
| O4' | C1' | C2' | O2' | 159.9° | 142.6° |
| O4' | C1' | C2' | N9 | 119.8° | 118.9° |
| O4' | C1' | C2' | H1' | 121.6° | 118.9° |
| O4' | C1' | C2' | H2' | 83.0° | 94.7° |
| O4' | C1' | N9 | H1' | 121.7° | 122.3° |
| O4' | C1' | N9 | C8 | 62.9° | 27.0° |
| O4' | C1' | N9 | C4 | 114.9° | 153.0° |
| O3' | C3' | C2' | H3' | 120.1° | 122.7° |
| O3' | C3' | C2' | O2' | 37.6° | 0.1° |
| O3' | C3' | C2' | C1' | 78.9° | 118.8° |
| O3' | C3' | C2' | H2' | 155.2° | 122.7° |
| C2' | C3' | O3' | HO3' | 68.4° | 65.3° |
| C3' | C2' | O2' | C1' | 111.3° | 114.8° |
| C3' | C2' | O2' | H2' | 122.3° | 122.6° |
| C3' | C2' | C1' | H2' | 121.3° | 118.5° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.4° |
| C3' | C2' | C1' | N9 | 158.0° | 142.8° |
| C3' | C2' | C1' | H1' | 83.3° | 95.0° |
| H3' | C3' | O3' | HO3' | 55.1° | 57.4° |
| H3' | C3' | C2' | O2' | 82.5° | 122.6° |
| H3' | C3' | C2' | C1' | 161.0° | 118.5° |
| H3' | C3' | C2' | H2' | 35.1° | 0.0° |
| O2' | C2' | C1' | H2' | 117.1° | 122.7° |
| O2' | C2' | C1' | N9 | 80.4° | 98.5° |
| O2' | C2' | C1' | H1' | 38.3° | 23.7° |
| C1' | C2' | O2' | HO2' | 68.7° | 176.2° |
| C2' | C1' | N9 | H1' | 121.8° | 122.2° |
| C2' | C1' | N9 | C8 | 53.6° | 88.5° |
| C2' | C1' | N9 | C4 | 128.6° | 91.5° |
| H2' | C2' | O2' | HO2' | 57.7° | 61.1° |
| H2' | C2' | C1' | N9 | 36.8° | 24.2° |
| H2' | C2' | C1' | H1' | 155.4° | 146.4° |
| C1' | N9 | C8 | C4 | 178.2° | 179.9° |
| C1' | N9 | C8 | N7 | 180.0° | 180.0° |
| C1' | N9 | C8 | H8 | 0.0° | 0.1° |
| C1' | N9 | C4 | C5 | 179.3° | 179.9° |
| C1' | N9 | C4 | N3 | 3.8° | 0.0° |
| H1' | C1' | N9 | C8 | 175.4° | 149.3° |
| H1' | C1' | N9 | C4 | 6.8° | 30.7° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 1.8° | 0.0° |
| C8 | N9 | C4 | C5 | 1.1° | 0.0° |
| C8 | N9 | C4 | N3 | 178.0° | 179.9° |
| C4 | N9 | C8 | N7 | 1.9° | 0.0° |
| C4 | N9 | C8 | H8 | 178.1° | 179.9° |
| N9 | C4 | C5 | N7 | 0.1° | 0.0° |
| N9 | C4 | C5 | C6 | 175.5° | 180.0° |
| N9 | C4 | C5 | N3 | 176.8° | 179.9° |
| N9 | C4 | N3 | C2 | 179.9° | 180.0° |
| C8 | N7 | C5 | C6 | 173.8° | 180.0° |
| C8 | N7 | C5 | C4 | 1.0° | 0.1° |
| H8 | C8 | N7 | C5 | 178.2° | 180.0° |
| N7 | C5 | C6 | C4 | 174.5° | 180.0° |
| N7 | C5 | C6 | O6 | 5.6° | 0.1° |
| N7 | C5 | C6 | N1 | 175.7° | 179.7° |
| N7 | C5 | C4 | N3 | 176.9° | 180.0° |
| C5 | C6 | O6 | N1 | 178.6° | 179.6° |
| C5 | C6 | N1 | C2 | 8.7° | 0.6° |
| C5 | C6 | N1 | HN1 | 171.2° | 180.0° |
| C6 | C5 | C4 | N3 | 7.7° | 0.0° |
| C4 | C5 | C6 | O6 | 179.9° | 179.9° |
| C4 | C5 | C6 | N1 | 1.2° | 0.3° |
| C5 | C4 | N3 | C2 | 3.7° | 0.1° |
| O6 | C6 | N1 | C2 | 170.1° | 179.8° |
| O6 | C6 | N1 | HN1 | 9.9° | 0.4° |
| C6 | N1 | C2 | HN1 | 180.0° | 179.4° |
| C6 | N1 | C2 | N2 | 174.3° | 179.7° |
| C6 | N1 | C2 | N3 | 13.4° | 0.6° |
| N1 | C2 | N2 | N3 | 172.2° | 179.7° |
| N1 | C2 | N2 | HN21 | 180.0° | 179.8° |
| N1 | C2 | N2 | HN22 | 54.7° | 0.6° |
| N1 | C2 | N3 | C4 | 6.4° | 0.3° |
| HN1 | N1 | C2 | N2 | 5.7° | 0.3° |
| HN1 | N1 | C2 | N3 | 166.5° | 180.0° |
| C2 | N2 | HN21 | HN22 | 125.2° | 179.6° |
| N2 | C2 | N3 | C4 | 178.1° | 180.0° |
| N3 | C2 | N2 | HN21 | 7.8° | 0.1° |
| N3 | C2 | N2 | HN22 | 133.0° | 179.7° |






