STP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PG | O1G | doub | 1.50Å | 1.48Å | |
| PG | O2G | sing | 1.62Å | 1.49Å | |
| PG | O3G | sing | 1.62Å | 1.59Å | |
| PG | O3B | sing | 1.62Å | 1.60Å | |
| O2G | HOG2 | sing | 0.98Å | 0.95Å | |
| O3G | HOG3 | sing | 0.98Å | 0.95Å | |
| PB | O1B | doub | 1.50Å | 1.48Å | |
| PB | O2B | sing | 1.62Å | 1.49Å | |
| PB | O3B | sing | 1.62Å | 1.57Å | |
| PB | O3A | sing | 1.61Å | 1.67Å | |
| O2B | HOB2 | sing | 0.98Å | 0.95Å | |
| PA | S1A | doub | 1.94Å | 1.49Å | |
| PA | O2A | sing | 1.62Å | 1.49Å | |
| PA | O3A | sing | 1.62Å | 1.62Å | |
| PA | O5' | sing | 1.62Å | 1.60Å | |
| O2A | HOA2 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 93.09Å | |
| C5' | C4' | sing | 1.52Å | 0.00Å | |
| C5' | H5'1 | sing | 1.09Å | 0.00Å | |
| C5' | H5'2 | sing | 1.09Å | 0.00Å | |
| C4' | O4' | sing | 1.44Å | 0.00Å | |
| C4' | C3' | sing | 1.52Å | 0.00Å | |
| C4' | H4' | sing | 1.10Å | 0.00Å | |
| O4' | C1' | sing | 1.44Å | 0.00Å | |
| C3' | O3' | sing | 1.41Å | 0.00Å | |
| C3' | C2' | sing | 1.51Å | 0.00Å | |
| C3' | H3' | sing | 1.10Å | 0.00Å | |
| O3' | HO3' | sing | 0.97Å | 0.00Å | |
| C2' | C1' | sing | 1.52Å | 0.00Å | |
| C2' | H2'1 | sing | 1.10Å | 0.00Å | |
| C2' | H2'2 | sing | 1.09Å | 0.00Å | |
| C1' | N9 | sing | 1.46Å | 0.00Å | |
| C1' | H1' | sing | 1.10Å | 0.00Å | |
| N9 | C8 | sing | 1.37Å | 0.00Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 0.00Å | Aromatic |
| C8 | N7 | doub | 1.32Å | 0.00Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 0.00Å | |
| N7 | C5 | sing | 1.37Å | 0.00Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 0.00Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 0.00Å | Aromatic |
| C6 | N6 | sing | 1.41Å | 0.00Å | |
| C6 | N1 | doub | 1.35Å | 0.00Å | Aromatic |
| N6 | HN61 | sing | 1.00Å | 0.00Å | |
| N6 | HN62 | sing | 1.00Å | 0.00Å | |
| N1 | C2 | sing | 1.36Å | 0.00Å | Aromatic |
| C2 | N3 | doub | 1.35Å | 0.00Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 0.00Å | |
| N3 | C4 | sing | 1.34Å | 0.00Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O2G | 118.4° | 115.1° |
| O1G | PG | O3G | 109.1° | 115.1° |
| O1G | PG | O3B | 107.8° | 114.3° |
| O2G | PG | O3G | 110.0° | 103.7° |
| O2G | PG | O3B | 110.8° | 103.7° |
| PG | O2G | HOG2 | 109.5° | 119.0° |
| O3G | PG | O3B | 98.9° | 103.5° |
| PG | O3G | HOG3 | 109.5° | 118.9° |
| PG | O3B | PB | 129.2° | 132.0° |
| O1B | PB | O2B | 118.2° | 114.9° |
| O1B | PB | O3B | 105.9° | 115.3° |
| O1B | PB | O3A | 108.6° | 116.1° |
| O2B | PB | O3B | 107.9° | 103.3° |
| O2B | PB | O3A | 112.9° | 104.0° |
| PB | O2B | HOB2 | 109.5° | 118.9° |
| O3B | PB | O3A | 101.7° | 101.5° |
| PB | O3A | PA | 140.2° | 132.4° |
| S1A | PA | O2A | 116.3° | 114.7° |
| S1A | PA | O3A | 109.9° | 116.4° |
| S1A | PA | O5' | 109.8° | 116.8° |
| O2A | PA | O3A | 108.8° | 101.8° |
| O2A | PA | O5' | 109.1° | 101.2° |
| PA | O2A | HOA2 | 109.5° | 118.7° |
| O3A | PA | O5' | 101.9° | 103.7° |
| PA | O5' | C5' | 109.4° | 119.6° |
| O5' | C5' | C4' | 90.0° | 109.0° |
| O5' | C5' | H5'1 | 90.0° | 108.8° |
| O5' | C5' | H5'2 | 90.0° | 108.8° |
| C4' | C5' | H5'1 | 90.0° | 110.6° |
| C4' | C5' | H5'2 | 90.0° | 110.6° |
| C5' | C4' | O4' | 90.0° | 109.6° |
| C5' | C4' | C3' | 90.0° | 113.4° |
| C5' | C4' | H4' | 90.0° | 108.7° |
| H5'1 | C5' | H5'2 | 90.0° | 109.1° |
| O4' | C4' | C3' | 90.0° | 106.0° |
| O4' | C4' | H4' | 90.0° | 107.9° |
| C4' | O4' | C1' | 90.0° | 108.2° |
| C3' | C4' | H4' | 90.0° | 111.1° |
| C4' | C3' | O3' | 90.0° | 112.4° |
| C4' | C3' | C2' | 90.0° | 101.6° |
| C4' | C3' | H3' | 90.0° | 111.6° |
| O4' | C1' | C2' | 90.0° | 107.2° |
| O4' | C1' | N9 | 90.0° | 109.5° |
| O4' | C1' | H1' | 90.0° | 107.9° |
| O3' | C3' | C2' | 90.0° | 111.3° |
| O3' | C3' | H3' | 90.0° | 109.3° |
| C3' | O3' | HO3' | 90.0° | 107.3° |
| C2' | C3' | H3' | 90.0° | 110.4° |
| C3' | C2' | C1' | 90.0° | 101.6° |
| C3' | C2' | H2'1 | 90.0° | 110.7° |
| C3' | C2' | H2'2 | 90.0° | 113.0° |
| C1' | C2' | H2'1 | 90.0° | 111.8° |
| C1' | C2' | H2'2 | 90.0° | 112.9° |
| C2' | C1' | N9 | 90.0° | 114.2° |
| C2' | C1' | H1' | 90.0° | 111.7° |
| H2'1 | C2' | H2'2 | 90.0° | 106.9° |
| N9 | C1' | H1' | 90.0° | 106.1° |
| C1' | N9 | C8 | 90.0° | 126.2° |
| C1' | N9 | C4 | 90.0° | 127.0° |
| C8 | N9 | C4 | 90.0° | 106.8° |
| N9 | C8 | N7 | 90.0° | 112.3° |
| N9 | C8 | H8 | 90.0° | 122.1° |
| N9 | C4 | C5 | 90.0° | 105.3° |
| N9 | C4 | N3 | 90.0° | 127.4° |
| N7 | C8 | H8 | 90.0° | 125.6° |
| C8 | N7 | C5 | 90.0° | 104.9° |
| N7 | C5 | C6 | 90.0° | 132.4° |
| N7 | C5 | C4 | 90.0° | 110.7° |
| C6 | C5 | C4 | 90.0° | 116.9° |
| C5 | C6 | N6 | 90.0° | 120.7° |
| C5 | C6 | N1 | 90.0° | 119.1° |
| C5 | C4 | N3 | 90.0° | 127.2° |
| N6 | C6 | N1 | 90.0° | 120.2° |
| C6 | N6 | HN61 | 90.0° | 119.4° |
| C6 | N6 | HN62 | 90.0° | 119.4° |
| C6 | N1 | C2 | 90.0° | 117.5° |
| HN61 | N6 | HN62 | 90.0° | 120.9° |
| N1 | C2 | N3 | 90.0° | 128.8° |
| N1 | C2 | H2 | 90.0° | 115.6° |
| N3 | C2 | H2 | 90.0° | 115.6° |
| C2 | N3 | C4 | 90.0° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O2G | O3G | 126.4° | 126.6° |
| O1G | PG | O2G | O3B | 125.3° | 125.6° |
| O1G | PG | O3G | O3B | 112.4° | 125.4° |
| O1G | PG | O2G | HOG2 | 16.8° | 47.8° |
| O1G | PG | O3G | HOG3 | 114.8° | 47.9° |
| O1G | PG | O3B | PB | 3.2° | 60.0° |
| O2G | PG | O3G | O3B | 116.1° | 108.0° |
| O2G | PG | O3G | HOG3 | 16.6° | 78.7° |
| O2G | PG | O3B | PB | 134.3° | 173.9° |
| O3G | PG | O2G | HOG2 | 143.2° | 78.8° |
| O3G | PG | O3B | PB | 110.2° | 65.9° |
| O3B | PG | O2G | HOG2 | 108.5° | 173.4° |
| O3B | PG | O3G | HOG3 | 132.8° | 173.3° |
| PG | O3B | PB | O1B | 134.5° | 60.0° |
| PG | O3B | PB | O2B | 7.0° | 66.2° |
| PG | O3B | PB | O3A | 112.0° | 173.7° |
| O1B | PB | O2B | O3B | 120.0° | 126.4° |
| O1B | PB | O2B | O3A | 128.4° | 128.0° |
| O1B | PB | O3B | O3A | 113.5° | 126.3° |
| O1B | PB | O2B | HOB2 | 84.8° | 49.1° |
| O1B | PB | O3A | PA | 148.6° | 60.0° |
| O2B | PB | O3B | O3A | 119.0° | 107.5° |
| O2B | PB | O3A | PA | 15.4° | 172.8° |
| O3B | PB | O2B | HOB2 | 155.2° | 77.3° |
| O3B | PB | O3A | PA | 100.0° | 65.7° |
| O3A | PB | O2B | HOB2 | 43.6° | 177.1° |
| PB | O3A | PA | S1A | 43.4° | 174.5° |
| PB | O3A | PA | O2A | 171.8° | 60.0° |
| PB | O3A | PA | O5' | 73.1° | 44.8° |
| S1A | PA | O2A | O3A | 124.8° | 126.6° |
| S1A | PA | O2A | O5' | 124.8° | 126.7° |
| S1A | PA | O3A | O5' | 116.4° | 129.8° |
| S1A | PA | O2A | HOA2 | 63.0° | 73.2° |
| S1A | PA | O5' | C5' | 95.5° | 65.3° |
| O2A | PA | O3A | O5' | 115.1° | 104.8° |
| O2A | PA | O5' | C5' | 33.1° | 60.0° |
| O3A | PA | O2A | HOA2 | 61.7° | 160.3° |
| O3A | PA | O5' | C5' | 148.0° | 165.3° |
| O5' | PA | O2A | HOA2 | 172.2° | 53.5° |
| PA | O5' | C5' | C4' | 90.0° | 120.0° |
| PA | O5' | C5' | H5'1 | 90.0° | 119.4° |
| PA | O5' | C5' | H5'2 | 90.0° | 0.6° |
| O5' | C5' | C4' | H5'1 | 90.0° | 119.6° |
| O5' | C5' | C4' | H5'2 | 90.0° | 119.5° |
| O5' | C5' | H5'1 | H5'2 | 90.0° | 118.5° |
| O5' | C5' | C4' | O4' | 90.0° | 62.2° |
| O5' | C5' | C4' | C3' | 90.0° | 179.5° |
| O5' | C5' | C4' | H4' | 90.0° | 55.5° |
| C4' | C5' | H5'1 | H5'2 | 90.0° | 121.8° |
| C5' | C4' | O4' | C3' | 90.0° | 122.7° |
| C5' | C4' | O4' | H4' | 90.0° | 118.2° |
| C5' | C4' | C3' | H4' | 90.0° | 122.7° |
| C5' | C4' | O4' | C1' | 90.0° | 140.1° |
| C5' | C4' | C3' | O3' | 90.0° | 85.6° |
| C5' | C4' | C3' | C2' | 90.0° | 155.3° |
| C5' | C4' | C3' | H3' | 90.0° | 37.7° |
| H5'1 | C5' | C4' | O4' | 90.0° | 178.3° |
| H5'1 | C5' | C4' | C3' | 90.0° | 60.0° |
| H5'1 | C5' | C4' | H4' | 90.0° | 64.1° |
| H5'2 | C5' | C4' | O4' | 90.0° | 57.3° |
| H5'2 | C5' | C4' | C3' | 90.0° | 61.0° |
| H5'2 | C5' | C4' | H4' | 90.0° | 175.0° |
| O4' | C4' | C3' | H4' | 90.0° | 117.0° |
| O4' | C4' | C3' | O3' | 90.0° | 154.1° |
| O4' | C4' | C3' | C2' | 90.0° | 35.0° |
| O4' | C4' | C3' | H3' | 90.0° | 82.6° |
| C4' | O4' | C1' | C2' | 90.0° | 7.5° |
| C4' | O4' | C1' | N9 | 90.0° | 131.9° |
| C4' | O4' | C1' | H1' | 90.0° | 113.0° |
| C3' | C4' | O4' | C1' | 90.0° | 17.3° |
| C4' | C3' | O3' | C2' | 90.0° | 113.2° |
| C4' | C3' | O3' | H3' | 90.0° | 124.5° |
| C4' | C3' | C2' | H3' | 90.0° | 118.5° |
| C4' | C3' | O3' | HO3' | 90.0° | 64.2° |
| C4' | C3' | C2' | C1' | 90.0° | 37.9° |
| C4' | C3' | C2' | H2'1 | 90.0° | 81.0° |
| C4' | C3' | C2' | H2'2 | 90.0° | 159.1° |
| H4' | C4' | O4' | C1' | 90.0° | 101.8° |
| H4' | C4' | C3' | O3' | 90.0° | 37.1° |
| H4' | C4' | C3' | C2' | 90.0° | 81.9° |
| H4' | C4' | C3' | H3' | 90.0° | 160.4° |
| O4' | C1' | C2' | C3' | 90.0° | 29.0° |
| O4' | C1' | C2' | N9 | 90.0° | 121.5° |
| O4' | C1' | C2' | H1' | 90.0° | 118.0° |
| O4' | C1' | C2' | H2'1 | 90.0° | 89.1° |
| O4' | C1' | C2' | H2'2 | 90.0° | 150.3° |
| O4' | C1' | N9 | H1' | 90.0° | 116.3° |
| O4' | C1' | N9 | C8 | 90.0° | 33.7° |
| O4' | C1' | N9 | C4 | 90.0° | 146.2° |
| O3' | C3' | C2' | H3' | 90.0° | 121.6° |
| O3' | C3' | C2' | C1' | 90.0° | 157.8° |
| O3' | C3' | C2' | H2'1 | 90.0° | 38.9° |
| O3' | C3' | C2' | H2'2 | 90.0° | 81.1° |
| C2' | C3' | O3' | HO3' | 90.0° | 49.0° |
| C3' | C2' | C1' | H2'1 | 90.0° | 118.1° |
| C3' | C2' | C1' | H2'2 | 90.0° | 121.3° |
| C3' | C2' | H2'1 | H2'2 | 90.0° | 123.5° |
| C3' | C2' | C1' | N9 | 90.0° | 150.6° |
| C3' | C2' | C1' | H1' | 90.0° | 89.0° |
| H3' | C3' | O3' | HO3' | 90.0° | 171.3° |
| H3' | C3' | C2' | C1' | 90.0° | 80.6° |
| H3' | C3' | C2' | H2'1 | 90.0° | 160.5° |
| H3' | C3' | C2' | H2'2 | 90.0° | 40.6° |
| C1' | C2' | H2'1 | H2'2 | 90.0° | 124.0° |
| C2' | C1' | N9 | H1' | 90.0° | 123.5° |
| C2' | C1' | N9 | C8 | 90.0° | 86.6° |
| C2' | C1' | N9 | C4 | 90.0° | 93.5° |
| H2'1 | C2' | C1' | N9 | 90.0° | 32.4° |
| H2'1 | C2' | C1' | H1' | 90.0° | 152.9° |
| H2'2 | C2' | C1' | N9 | 90.0° | 88.1° |
| H2'2 | C2' | C1' | H1' | 90.0° | 32.3° |
| C1' | N9 | C8 | C4 | 90.0° | 179.9° |
| C1' | N9 | C8 | N7 | 90.0° | 180.0° |
| C1' | N9 | C8 | H8 | 90.0° | 0.0° |
| C1' | N9 | C4 | C5 | 90.0° | 179.9° |
| C1' | N9 | C4 | N3 | 90.0° | 0.1° |
| H1' | C1' | N9 | C8 | 90.0° | 150.0° |
| H1' | C1' | N9 | C4 | 90.0° | 29.9° |
| N9 | C8 | N7 | H8 | 90.0° | 180.0° |
| N9 | C8 | N7 | C5 | 90.0° | 0.1° |
| C8 | N9 | C4 | C5 | 90.0° | 0.0° |
| C8 | N9 | C4 | N3 | 90.0° | 180.0° |
| C4 | N9 | C8 | N7 | 90.0° | 0.0° |
| C4 | N9 | C8 | H8 | 90.0° | 180.0° |
| N9 | C4 | C5 | N7 | 90.0° | 0.0° |
| N9 | C4 | C5 | C6 | 90.0° | 180.0° |
| N9 | C4 | C5 | N3 | 90.0° | 180.0° |
| N9 | C4 | N3 | C2 | 90.0° | 180.0° |
| C8 | N7 | C5 | C6 | 90.0° | 180.0° |
| C8 | N7 | C5 | C4 | 90.0° | 0.1° |
| H8 | C8 | N7 | C5 | 90.0° | 180.0° |
| N7 | C5 | C6 | C4 | 90.0° | 179.9° |
| N7 | C5 | C6 | N6 | 90.0° | 0.1° |
| N7 | C5 | C6 | N1 | 90.0° | 179.9° |
| N7 | C5 | C4 | N3 | 90.0° | 180.0° |
| C5 | C6 | N6 | N1 | 90.0° | 180.0° |
| C5 | C6 | N6 | HN61 | 90.0° | 97.3° |
| C5 | C6 | N6 | HN62 | 90.0° | 76.5° |
| C5 | C6 | N1 | C2 | 90.0° | 0.0° |
| C6 | C5 | C4 | N3 | 90.0° | 0.0° |
| C4 | C5 | C6 | N6 | 90.0° | 180.0° |
| C4 | C5 | C6 | N1 | 90.0° | 0.0° |
| C5 | C4 | N3 | C2 | 90.0° | 0.0° |
| C6 | N6 | HN61 | HN62 | 90.0° | 173.7° |
| N6 | C6 | N1 | C2 | 90.0° | 180.0° |
| N1 | C6 | N6 | HN61 | 90.0° | 82.7° |
| N1 | C6 | N6 | HN62 | 90.0° | 103.5° |
| C6 | N1 | C2 | N3 | 90.0° | 0.0° |
| C6 | N1 | C2 | H2 | 90.0° | 180.0° |
| N1 | C2 | N3 | H2 | 90.0° | 179.9° |
| N1 | C2 | N3 | C4 | 90.0° | 0.0° |
| H2 | C2 | N3 | C4 | 90.0° | 180.0° |
