EMA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PG | O1G | sing | 1.61Å | 1.46Å | |
| PG | O2G | doub | 1.48Å | 1.45Å | |
| PG | O3G | sing | 1.61Å | 1.49Å | |
| PG | O3B | sing | 1.61Å | 1.61Å | |
| O1G | H1G | sing | 0.97Å | 0.95Å | |
| O3G | H3G | sing | 0.97Å | 0.95Å | |
| PB | O1B | doub | 1.48Å | 1.50Å | |
| PB | O2B | sing | 1.61Å | 1.47Å | |
| PB | O3B | sing | 1.61Å | 1.64Å | |
| PB | O3A | sing | 1.61Å | 1.58Å | |
| O2B | H2B | sing | 0.97Å | 0.95Å | |
| PA | O1A | doub | 1.48Å | 1.47Å | |
| PA | O2A | sing | 1.61Å | 1.49Å | |
| PA | O3A | sing | 1.61Å | 1.60Å | |
| PA | C5' | sing | 1.82Å | 1.60Å | |
| O2A | H2A | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.49Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| O5' | C4' | sing | 1.43Å | 1.53Å | |
| C4' | C1' | sing | 1.53Å | 1.61Å | |
| C4' | H4'1 | sing | 1.09Å | 1.12Å | |
| C4' | H4'2 | sing | 1.09Å | 1.12Å | |
| C1' | N9 | sing | 1.46Å | 1.57Å | |
| C1' | H1'1 | sing | 1.09Å | 1.12Å | |
| C1' | H1'2 | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.36Å | 1.44Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.37Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.44Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.32Å | |
| C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.42Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O2G | 115.0° | 109.5° |
| O1G | PG | O3G | 113.8° | 109.5° |
| O1G | PG | O3B | 104.1° | 109.5° |
| PG | O1G | H1G | 115.1° | 106.8° |
| O2G | PG | O3G | 114.4° | 109.5° |
| O2G | PG | O3B | 99.2° | 109.5° |
| O3G | PG | O3B | 108.4° | 109.4° |
| PG | O3G | H3G | 113.8° | 106.8° |
| PG | O3B | PB | 133.4° | 106.8° |
| O1B | PB | O2B | 118.3° | 109.5° |
| O1B | PB | O3B | 108.6° | 109.5° |
| O1B | PB | O3A | 107.6° | 109.5° |
| O2B | PB | O3B | 108.8° | 109.5° |
| O2B | PB | O3A | 113.1° | 109.4° |
| PB | O2B | H2B | 118.2° | 106.8° |
| O3B | PB | O3A | 98.6° | 109.4° |
| PB | O3A | PA | 135.9° | 106.8° |
| O1A | PA | O2A | 119.0° | 109.5° |
| O1A | PA | O3A | 104.5° | 109.5° |
| O1A | PA | C5' | 104.7° | 109.4° |
| O2A | PA | O3A | 112.2° | 109.5° |
| O2A | PA | C5' | 110.0° | 109.5° |
| PA | O2A | H2A | 119.0° | 106.7° |
| O3A | PA | C5' | 105.5° | 109.5° |
| PA | C5' | O5' | 133.2° | 109.5° |
| PA | C5' | H5'1 | 104.0° | 109.5° |
| PA | C5' | H5'2 | 104.0° | 109.5° |
| O5' | C5' | H5'1 | 104.1° | 109.4° |
| O5' | C5' | H5'2 | 104.1° | 109.4° |
| C5' | O5' | C4' | 116.1° | 106.8° |
| H5'1 | C5' | H5'2 | 104.7° | 109.5° |
| O5' | C4' | C1' | 115.6° | 109.5° |
| O5' | C4' | H4'1 | 110.0° | 109.5° |
| O5' | C4' | H4'2 | 110.0° | 109.4° |
| C1' | C4' | H4'1 | 110.0° | 109.5° |
| C1' | C4' | H4'2 | 110.0° | 109.4° |
| C4' | C1' | N9 | 128.3° | 109.5° |
| C4' | C1' | H1'1 | 105.6° | 109.5° |
| C4' | C1' | H1'2 | 105.6° | 109.4° |
| H4'1 | C4' | H4'2 | 100.2° | 109.5° |
| N9 | C1' | H1'1 | 105.7° | 109.5° |
| N9 | C1' | H1'2 | 105.7° | 109.4° |
| C1' | N9 | C8 | 138.7° | 126.3° |
| C1' | N9 | C4 | 117.9° | 126.3° |
| H1'1 | C1' | H1'2 | 103.7° | 109.5° |
| C8 | N9 | C4 | 103.4° | 107.4° |
| N9 | C8 | N7 | 110.6° | 110.0° |
| N9 | C8 | H8 | 126.6° | 125.0° |
| N9 | C4 | C5 | 110.8° | 106.0° |
| N9 | C4 | N3 | 123.1° | 134.9° |
| N7 | C8 | H8 | 122.8° | 125.0° |
| C8 | N7 | C5 | 104.4° | 109.4° |
| N7 | C5 | C6 | 133.1° | 134.7° |
| N7 | C5 | C4 | 110.7° | 107.1° |
| C6 | C5 | C4 | 116.1° | 118.2° |
| C5 | C6 | N6 | 120.5° | 120.8° |
| C5 | C6 | N1 | 119.4° | 118.4° |
| C5 | C4 | N3 | 126.0° | 119.1° |
| N6 | C6 | N1 | 120.0° | 120.8° |
| C6 | N6 | HN61 | 120.5° | 120.0° |
| C6 | N6 | HN62 | 108.2° | 120.0° |
| C6 | N1 | C2 | 119.4° | 121.2° |
| HN61 | N6 | HN62 | 108.2° | 120.0° |
| N1 | C2 | N3 | 127.0° | 122.4° |
| N1 | C2 | H2 | 115.9° | 118.8° |
| N3 | C2 | H2 | 117.1° | 118.8° |
| C2 | N3 | C4 | 111.9° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O2G | O3G | 134.5° | 120.0° |
| O1G | PG | O2G | O3B | 110.4° | 120.1° |
| O1G | PG | O3G | O3B | 115.4° | 120.0° |
| O1G | PG | O3G | H3G | 180.0° | 60.1° |
| O1G | PG | O3B | PB | 62.5° | 180.0° |
| O2G | PG | O3G | O3B | 109.6° | 120.0° |
| O2G | PG | O1G | H1G | 180.0° | 60.0° |
| O2G | PG | O3G | H3G | 45.0° | 180.0° |
| O2G | PG | O3B | PB | 178.7° | 60.0° |
| O3G | PG | O1G | H1G | 45.3° | 60.0° |
| O3G | PG | O3B | PB | 59.0° | 60.0° |
| O3B | PG | O1G | H1G | 72.6° | 180.0° |
| O3B | PG | O3G | H3G | 64.7° | 60.0° |
| PG | O3B | PB | O1B | 50.6° | 60.1° |
| PG | O3B | PB | O2B | 79.4° | 60.0° |
| PG | O3B | PB | O3A | 162.5° | 180.0° |
| O1B | PB | O2B | O3B | 124.4° | 120.0° |
| O1B | PB | O2B | O3A | 127.1° | 120.0° |
| O1B | PB | O3B | O3A | 112.0° | 120.0° |
| O1B | PB | O2B | H2B | 180.0° | 180.0° |
| O1B | PB | O3A | PA | 56.2° | 60.0° |
| O2B | PB | O3B | O3A | 118.1° | 120.0° |
| O2B | PB | O3A | PA | 171.3° | 60.0° |
| O3B | PB | O2B | H2B | 55.6° | 60.0° |
| O3B | PB | O3A | PA | 56.5° | 180.0° |
| O3A | PB | O2B | H2B | 52.9° | 60.0° |
| PB | O3A | PA | O1A | 68.0° | 60.0° |
| PB | O3A | PA | O2A | 62.3° | 60.0° |
| PB | O3A | PA | C5' | 178.0° | 180.0° |
| O1A | PA | O2A | O3A | 122.3° | 120.1° |
| O1A | PA | O2A | C5' | 120.6° | 120.0° |
| O1A | PA | O3A | C5' | 110.0° | 120.0° |
| O1A | PA | O2A | H2A | 180.0° | 180.0° |
| O1A | PA | C5' | O5' | 179.0° | 60.0° |
| O1A | PA | C5' | H5'1 | 53.7° | 180.0° |
| O1A | PA | C5' | H5'2 | 55.8° | 60.0° |
| O2A | PA | O3A | C5' | 119.7° | 120.0° |
| O2A | PA | C5' | O5' | 52.1° | 60.0° |
| O2A | PA | C5' | H5'1 | 177.4° | 60.0° |
| O2A | PA | C5' | H5'2 | 73.2° | 179.9° |
| O3A | PA | O2A | H2A | 57.7° | 60.0° |
| O3A | PA | C5' | O5' | 69.1° | 180.0° |
| O3A | PA | C5' | H5'1 | 56.2° | 60.0° |
| O3A | PA | C5' | H5'2 | 165.7° | 60.0° |
| C5' | PA | O2A | H2A | 59.3° | 60.0° |
| PA | C5' | O5' | H5'1 | 125.3° | 120.0° |
| PA | C5' | O5' | H5'2 | 125.3° | 120.0° |
| PA | C5' | H5'1 | H5'2 | 108.9° | 120.1° |
| PA | C5' | O5' | C4' | 69.1° | 89.9° |
| O5' | C5' | H5'1 | H5'2 | 109.0° | 119.9° |
| C5' | O5' | C4' | C1' | 161.8° | 180.0° |
| C5' | O5' | C4' | H4'1 | 36.5° | 59.9° |
| C5' | O5' | C4' | H4'2 | 72.9° | 60.1° |
| H5'1 | C5' | O5' | C4' | 165.6° | 30.1° |
| H5'2 | C5' | O5' | C4' | 56.2° | 150.1° |
| O5' | C4' | C1' | H4'1 | 125.3° | 120.1° |
| O5' | C4' | C1' | H4'2 | 125.3° | 119.9° |
| O5' | C4' | H4'1 | H4'2 | 115.8° | 119.9° |
| O5' | C4' | C1' | N9 | 2.3° | 180.0° |
| O5' | C4' | C1' | H1'1 | 127.5° | 59.9° |
| O5' | C4' | C1' | H1'2 | 123.0° | 60.1° |
| C1' | C4' | H4'1 | H4'2 | 115.8° | 120.0° |
| C4' | C1' | N9 | H1'1 | 125.2° | 120.0° |
| C4' | C1' | N9 | H1'2 | 125.3° | 119.9° |
| C4' | C1' | H1'1 | H1'2 | 110.8° | 120.0° |
| C4' | C1' | N9 | C8 | 36.1° | 90.0° |
| C4' | C1' | N9 | C4 | 146.5° | 89.9° |
| H4'1 | C4' | C1' | N9 | 123.0° | 59.9° |
| H4'1 | C4' | C1' | H1'1 | 2.3° | 180.0° |
| H4'1 | C4' | C1' | H1'2 | 111.7° | 60.0° |
| H4'2 | C4' | C1' | N9 | 127.6° | 60.1° |
| H4'2 | C4' | C1' | H1'1 | 107.2° | 60.0° |
| H4'2 | C4' | C1' | H1'2 | 2.2° | 180.0° |
| N9 | C1' | H1'1 | H1'2 | 110.9° | 120.0° |
| C1' | N9 | C8 | C4 | 177.6° | 180.0° |
| C1' | N9 | C8 | N7 | 178.7° | 180.0° |
| C1' | N9 | C8 | H8 | 1.3° | 0.1° |
| C1' | N9 | C4 | C5 | 178.2° | 179.7° |
| C1' | N9 | C4 | N3 | 1.5° | 0.1° |
| H1'1 | C1' | N9 | C8 | 161.3° | 30.0° |
| H1'1 | C1' | N9 | C4 | 21.3° | 150.1° |
| H1'2 | C1' | N9 | C8 | 89.2° | 150.0° |
| H1'2 | C1' | N9 | C4 | 88.2° | 30.0° |
| N9 | C8 | N7 | H8 | 179.9° | 179.9° |
| N9 | C8 | N7 | C5 | 2.4° | 0.3° |
| C8 | N9 | C4 | C5 | 3.5° | 0.3° |
| C8 | N9 | C4 | N3 | 179.7° | 180.0° |
| C4 | N9 | C8 | N7 | 3.7° | 0.0° |
| C4 | N9 | C8 | H8 | 176.4° | 179.9° |
| N9 | C4 | C5 | N7 | 2.3° | 0.5° |
| N9 | C4 | C5 | C6 | 175.1° | 179.7° |
| N9 | C4 | C5 | N3 | 176.7° | 179.7° |
| N9 | C4 | N3 | C2 | 177.0° | 180.0° |
| C8 | N7 | C5 | C6 | 176.9° | 179.5° |
| C8 | N7 | C5 | C4 | 0.2° | 0.5° |
| H8 | C8 | N7 | C5 | 177.7° | 179.8° |
| N7 | C5 | C6 | C4 | 176.6° | 178.9° |
| N7 | C5 | C6 | N6 | 2.9° | 0.8° |
| N7 | C5 | C6 | N1 | 179.9° | 179.5° |
| N7 | C5 | C4 | N3 | 178.9° | 179.8° |
| C5 | C6 | N6 | N1 | 176.9° | 179.7° |
| C5 | C6 | N6 | HN61 | 180.0° | 179.8° |
| C5 | C6 | N6 | HN62 | 54.8° | 0.5° |
| C5 | C6 | N1 | C2 | 3.2° | 0.3° |
| C6 | C5 | C4 | N3 | 1.6° | 0.6° |
| C4 | C5 | C6 | N6 | 179.5° | 179.7° |
| C4 | C5 | C6 | N1 | 3.6° | 0.6° |
| C5 | C4 | N3 | C2 | 0.7° | 0.3° |
| C6 | N6 | HN61 | HN62 | 125.2° | 179.7° |
| N6 | C6 | N1 | C2 | 179.8° | 180.0° |
| N1 | C6 | N6 | HN61 | 3.1° | 0.0° |
| N1 | C6 | N6 | HN62 | 128.3° | 179.7° |
| C6 | N1 | C2 | N3 | 0.7° | 0.0° |
| C6 | N1 | C2 | H2 | 179.3° | 180.0° |
| N1 | C2 | N3 | H2 | 179.9° | 179.9° |
| N1 | C2 | N3 | C4 | 1.3° | 0.0° |
| H2 | C2 | N3 | C4 | 178.8° | 180.0° |
