XG4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | sing | 1.36Å | 1.38Å | |
| N1 | C6 | sing | 1.35Å | 1.37Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N3 | C2 | doub | 1.31Å | 1.34Å | |
| N2 | C2 | sing | 1.37Å | 1.38Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| N3 | C4 | sing | 1.34Å | 1.36Å | |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.42Å | |
| C6 | O6 | doub | 1.22Å | 1.25Å | |
| C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | N9 | sing | 1.47Å | 1.49Å | |
| O5' | PA | sing | 1.61Å | 1.54Å | |
| O1A | PA | doub | 1.48Å | 1.31Å | |
| PA | O2A | sing | 1.61Å | 1.38Å | |
| PA | N3A | sing | 1.68Å | 1.58Å | |
| O1B | PB | doub | 1.48Å | 1.25Å | |
| N3A | PB | sing | 1.68Å | 1.67Å | |
| PB | O2B | sing | 1.61Å | 1.28Å | |
| PB | O3B | sing | 1.61Å | 1.53Å | |
| O1G | PG | doub | 1.48Å | 1.34Å | |
| PG | O3B | sing | 1.61Å | 1.54Å | |
| PG | O2G | sing | 1.61Å | 1.34Å | |
| PG | O3G | sing | 1.61Å | 1.34Å | |
| O4' | C1' | sing | 1.44Å | 1.33Å | |
| C1' | C2' | sing | 1.54Å | 1.56Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.55Å | 1.50Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| O2G | HO2G | sing | 0.97Å | 0.95Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.36Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| N3A | HN3A | sing | 1.01Å | 1.00Å | |
| O3G | HO3G | sing | 0.97Å | 0.95Å | |
| O4' | C4' | sing | 1.44Å | 1.37Å | |
| C4' | C5' | sing | 1.53Å | 1.56Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 119.9° | 120.3° |
| C2 | N1 | HN1 | 120.0° | 119.9° |
| N1 | C2 | N3 | 122.2° | 121.9° |
| N1 | C2 | N2 | 119.1° | 119.0° |
| C6 | N1 | HN1 | 120.0° | 119.8° |
| N1 | C6 | C5 | 119.5° | 118.4° |
| N1 | C6 | O6 | 119.5° | 120.8° |
| N3 | C2 | N2 | 118.7° | 119.1° |
| C2 | N3 | C4 | 120.0° | 121.1° |
| C2 | N2 | HN2 | 120.0° | 120.0° |
| C2 | N2 | HN2A | 120.0° | 120.0° |
| HN2 | N2 | HN2A | 120.0° | 119.9° |
| N3 | C4 | N9 | 133.2° | 134.2° |
| N3 | C4 | C5 | 120.5° | 119.7° |
| N9 | C4 | C5 | 106.3° | 106.1° |
| C4 | N9 | C8 | 106.5° | 107.5° |
| C4 | N9 | C1' | 123.4° | 126.2° |
| C4 | C5 | N7 | 107.9° | 107.3° |
| C4 | C5 | C6 | 117.8° | 118.5° |
| N7 | C5 | C6 | 134.2° | 134.2° |
| C5 | N7 | C8 | 108.4° | 109.3° |
| C5 | C6 | O6 | 121.1° | 120.8° |
| N7 | C8 | N9 | 110.9° | 109.8° |
| N7 | C8 | H8 | 124.5° | 125.1° |
| N9 | C8 | H8 | 124.5° | 125.1° |
| C8 | N9 | C1' | 130.1° | 126.3° |
| N9 | C1' | O4' | 114.6° | 109.9° |
| N9 | C1' | C2' | 108.4° | 109.8° |
| N9 | C1' | H1' | 105.6° | 109.9° |
| O5' | PA | O1A | 110.1° | 109.5° |
| O5' | PA | O2A | 102.9° | 109.5° |
| O5' | PA | N3A | 108.0° | 109.5° |
| PA | O5' | C5' | 121.5° | 123.0° |
| O1A | PA | O2A | 117.3° | 109.5° |
| O1A | PA | N3A | 109.1° | 109.5° |
| O2A | PA | N3A | 108.9° | 109.4° |
| PA | O2A | HO2A | 109.5° | 114.0° |
| PA | N3A | PB | 132.9° | 111.0° |
| PA | N3A | HN3A | 102.3° | 111.0° |
| O1B | PB | N3A | 105.6° | 109.4° |
| O1B | PB | O2B | 111.6° | 109.5° |
| O1B | PB | O3B | 113.4° | 109.5° |
| N3A | PB | O2B | 107.7° | 109.4° |
| N3A | PB | O3B | 109.5° | 109.5° |
| PB | N3A | HN3A | 102.3° | 111.0° |
| O2B | PB | O3B | 108.7° | 109.5° |
| PB | O2B | HO2B | 109.5° | 114.0° |
| PB | O3B | PG | 128.9° | 134.0° |
| O1G | PG | O3B | 109.6° | 109.5° |
| O1G | PG | O2G | 113.6° | 109.5° |
| O1G | PG | O3G | 108.5° | 109.5° |
| O3B | PG | O2G | 109.8° | 109.4° |
| O3B | PG | O3G | 106.9° | 109.5° |
| O2G | PG | O3G | 108.4° | 109.4° |
| PG | O2G | HO2G | 109.5° | 113.9° |
| PG | O3G | HO3G | 109.5° | 114.1° |
| O4' | C1' | C2' | 105.8° | 107.3° |
| O4' | C1' | H1' | 108.2° | 110.0° |
| C1' | O4' | C4' | 112.5° | 107.0° |
| C2' | C1' | H1' | 114.4° | 109.9° |
| C1' | C2' | C3' | 105.1° | 104.2° |
| C1' | C2' | H2' | 111.0° | 110.5° |
| C1' | C2' | H2'A | 110.9° | 110.5° |
| C3' | C2' | H2' | 111.0° | 110.5° |
| C3' | C2' | H2'A | 111.0° | 110.5° |
| C2' | C3' | C4' | 98.8° | 102.1° |
| C2' | C3' | O3' | 119.0° | 110.9° |
| C2' | C3' | H3' | 113.4° | 110.9° |
| H2' | C2' | H2'A | 107.9° | 110.6° |
| C4' | C3' | O3' | 116.5° | 110.9° |
| C4' | C3' | H3' | 116.0° | 110.9° |
| C3' | C4' | O4' | 109.4° | 103.5° |
| C3' | C4' | C5' | 108.8° | 110.6° |
| C3' | C4' | H4' | 110.2° | 110.6° |
| O3' | C3' | H3' | 94.3° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O4' | C4' | C5' | 110.2° | 110.6° |
| O4' | C4' | H4' | 108.8° | 110.7° |
| C5' | C4' | H4' | 109.5° | 110.5° |
| C4' | C5' | O5' | 116.9° | 109.5° |
| C4' | C5' | H5' | 107.0° | 109.5° |
| C4' | C5' | H5'A | 107.1° | 109.5° |
| O5' | C5' | H5' | 107.1° | 109.4° |
| O5' | C5' | H5'A | 107.0° | 109.5° |
| H5' | C5' | H5'A | 111.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | HN1 | 180.0° | 179.8° |
| N1 | C2 | N3 | N2 | 179.5° | 179.9° |
| N1 | C2 | N2 | HN2 | 179.5° | 0.0° |
| N1 | C2 | N2 | HN2A | 0.5° | 180.0° |
| N1 | C2 | N3 | C4 | 0.5° | 0.1° |
| C2 | N1 | C6 | C5 | 1.6° | 0.1° |
| C2 | N1 | C6 | O6 | 179.4° | 179.7° |
| C6 | N1 | C2 | N3 | 0.8° | 0.1° |
| C6 | N1 | C2 | N2 | 179.8° | 180.0° |
| N1 | C6 | C5 | C4 | 2.1° | 0.1° |
| N1 | C6 | C5 | N7 | 179.7° | 180.0° |
| N1 | C6 | C5 | O6 | 179.1° | 179.6° |
| HN1 | N1 | C2 | N3 | 179.3° | 179.7° |
| HN1 | N1 | C2 | N2 | 0.2° | 0.2° |
| HN1 | N1 | C6 | C5 | 178.5° | 179.7° |
| HN1 | N1 | C6 | O6 | 0.6° | 0.1° |
| N3 | C2 | N2 | HN2 | 0.0° | 180.0° |
| N3 | C2 | N2 | HN2A | 180.0° | 0.1° |
| C2 | N3 | C4 | N9 | 179.3° | 180.0° |
| C2 | N3 | C4 | C5 | 1.1° | 0.0° |
| C2 | N2 | HN2 | HN2A | 180.0° | 180.0° |
| N2 | C2 | N3 | C4 | 180.0° | 180.0° |
| N3 | C4 | N9 | C5 | 178.4° | 179.9° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 1.9° | 0.1° |
| N3 | C4 | N9 | C8 | 179.4° | 180.0° |
| N3 | C4 | N9 | C1' | 1.3° | 0.1° |
| N9 | C4 | C5 | N7 | 1.3° | 0.1° |
| N9 | C4 | C5 | C6 | 179.5° | 180.0° |
| C4 | N9 | C8 | N7 | 0.4° | 0.1° |
| C4 | N9 | C8 | C1' | 179.3° | 179.9° |
| C4 | N9 | C8 | H8 | 179.7° | 180.0° |
| C4 | N9 | C1' | O4' | 143.1° | 157.1° |
| C4 | N9 | C1' | C2' | 99.0° | 85.1° |
| C4 | N9 | C1' | H1' | 24.1° | 35.9° |
| C4 | C5 | N7 | C6 | 177.8° | 179.9° |
| C4 | C5 | C6 | O6 | 178.8° | 179.7° |
| C4 | C5 | N7 | C8 | 1.1° | 0.0° |
| C5 | C4 | N9 | C8 | 1.0° | 0.1° |
| C5 | C4 | N9 | C1' | 179.7° | 180.0° |
| N7 | C5 | C6 | O6 | 1.2° | 0.4° |
| C5 | N7 | C8 | N9 | 0.5° | 0.0° |
| C5 | N7 | C8 | H8 | 179.5° | 180.0° |
| C6 | C5 | N7 | C8 | 178.9° | 179.9° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 179.6° | 179.9° |
| C8 | N9 | C1' | O4' | 36.1° | 22.7° |
| C8 | N9 | C1' | C2' | 81.9° | 95.1° |
| C8 | N9 | C1' | H1' | 155.1° | 143.9° |
| H8 | C8 | N9 | C1' | 0.4° | 0.1° |
| N9 | C1' | O4' | C2' | 119.4° | 119.4° |
| N9 | C1' | O4' | H1' | 117.5° | 121.1° |
| N9 | C1' | C2' | H1' | 117.5° | 121.0° |
| N9 | C1' | C2' | C3' | 103.9° | 121.4° |
| N9 | C1' | C2' | H2' | 136.0° | 119.9° |
| N9 | C1' | C2' | H2'A | 16.1° | 2.8° |
| N9 | C1' | O4' | C4' | 117.9° | 145.9° |
| O5' | PA | O1A | O2A | 117.3° | 120.0° |
| O5' | PA | O1A | N3A | 118.4° | 120.0° |
| O5' | PA | O2A | N3A | 114.4° | 120.0° |
| O5' | PA | N3A | PB | 78.0° | 180.0° |
| O5' | PA | O2A | HO2A | 121.1° | 60.0° |
| O5' | PA | N3A | HN3A | 42.0° | 56.1° |
| PA | O5' | C5' | C4' | 142.4° | 180.0° |
| PA | O5' | C5' | H5' | 97.6° | 60.0° |
| PA | O5' | C5' | H5'A | 22.4° | 60.0° |
| O1A | PA | O2A | N3A | 124.5° | 120.0° |
| O1A | PA | N3A | PB | 41.7° | 60.0° |
| O1A | PA | O2A | HO2A | 0.0° | 180.0° |
| O1A | PA | N3A | HN3A | 161.7° | 64.0° |
| O1A | PA | O5' | C5' | 51.4° | 45.0° |
| O2A | PA | N3A | PB | 170.9° | 60.0° |
| O2A | PA | N3A | HN3A | 69.1° | 176.1° |
| O2A | PA | O5' | C5' | 177.3° | 165.0° |
| PA | N3A | PB | O1B | 1.2° | 60.0° |
| PA | N3A | PB | HN3A | 120.0° | 123.9° |
| PA | N3A | PB | O2B | 118.2° | 60.0° |
| PA | N3A | PB | O3B | 123.7° | 179.9° |
| N3A | PA | O2A | HO2A | 124.5° | 60.0° |
| N3A | PA | O5' | C5' | 67.6° | 75.0° |
| O1B | PB | N3A | O2B | 119.4° | 120.0° |
| O1B | PB | N3A | O3B | 122.5° | 120.0° |
| O1B | PB | O2B | O3B | 125.9° | 120.1° |
| O1B | PB | O3B | PG | 53.3° | 60.0° |
| O1B | PB | O2B | HO2B | 0.0° | 180.0° |
| O1B | PB | N3A | HN3A | 121.2° | 176.0° |
| N3A | PB | O2B | O3B | 118.6° | 120.0° |
| N3A | PB | O3B | PG | 64.4° | 180.0° |
| N3A | PB | O2B | HO2B | 115.5° | 60.0° |
| O2B | PB | O3B | PG | 178.1° | 60.1° |
| O2B | PB | N3A | HN3A | 1.8° | 64.0° |
| PB | O3B | PG | O1G | 1.4° | 45.0° |
| PB | O3B | PG | O2G | 126.8° | 165.1° |
| PB | O3B | PG | O3G | 115.9° | 75.0° |
| O3B | PB | O2B | HO2B | 125.9° | 59.9° |
| O3B | PB | N3A | HN3A | 116.3° | 56.0° |
| O1G | PG | O3B | O2G | 125.4° | 120.0° |
| O1G | PG | O3B | O3G | 117.3° | 120.0° |
| O1G | PG | O2G | O3G | 120.6° | 120.0° |
| O1G | PG | O2G | HO2G | 0.0° | 60.0° |
| O1G | PG | O3G | HO3G | 0.0° | 180.0° |
| O3B | PG | O2G | O3G | 116.4° | 119.9° |
| O3B | PG | O2G | HO2G | 123.0° | 180.0° |
| O3B | PG | O3G | HO3G | 118.0° | 59.9° |
| O2G | PG | O3G | HO3G | 123.7° | 60.0° |
| O3G | PG | O2G | HO2G | 120.6° | 60.1° |
| O4' | C1' | C2' | H1' | 119.1° | 119.6° |
| O4' | C1' | C2' | C3' | 19.4° | 2.1° |
| O4' | C1' | C2' | H2' | 100.6° | 120.7° |
| O4' | C1' | C2' | H2'A | 139.4° | 116.6° |
| C1' | O4' | C4' | C3' | 17.1° | 40.1° |
| C1' | O4' | C4' | C5' | 136.7° | 158.6° |
| C1' | O4' | C4' | H4' | 103.3° | 78.5° |
| C1' | C2' | C3' | H2' | 120.0° | 118.6° |
| C1' | C2' | C3' | H2'A | 120.0° | 118.7° |
| C1' | C2' | H2' | H2'A | 121.7° | 122.6° |
| C1' | C2' | C3' | C4' | 26.8° | 20.8° |
| C1' | C2' | C3' | O3' | 153.8° | 139.0° |
| C1' | C2' | C3' | H3' | 96.7° | 97.4° |
| C2' | C1' | O4' | C4' | 1.5° | 26.5° |
| H1' | C1' | C2' | C3' | 138.5° | 117.6° |
| H1' | C1' | C2' | H2' | 18.5° | 1.1° |
| H1' | C1' | C2' | H2'A | 101.5° | 123.7° |
| H1' | C1' | O4' | C4' | 124.6° | 93.0° |
| C3' | C2' | H2' | H2'A | 121.8° | 122.7° |
| C2' | C3' | C4' | O3' | 128.7° | 118.2° |
| C2' | C3' | C4' | H3' | 121.5° | 118.2° |
| C2' | C3' | O3' | H3' | 119.8° | 123.6° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | O4' | 27.5° | 37.0° |
| C2' | C3' | C4' | C5' | 147.9° | 155.5° |
| C2' | C3' | C4' | H4' | 92.1° | 81.6° |
| H2' | C2' | C3' | C4' | 93.2° | 97.8° |
| H2' | C2' | C3' | O3' | 33.8° | 20.4° |
| H2' | C2' | C3' | H3' | 143.3° | 144.0° |
| H2'A | C2' | C3' | C4' | 146.7° | 139.5° |
| H2'A | C2' | C3' | O3' | 86.2° | 102.3° |
| H2'A | C2' | C3' | H3' | 23.3° | 21.3° |
| C4' | C3' | O3' | H3' | 122.0° | 123.7° |
| C4' | C3' | O3' | HO3' | 61.8° | 174.2° |
| C3' | C4' | O4' | C5' | 119.6° | 118.5° |
| C3' | C4' | O4' | H4' | 120.4° | 118.6° |
| C3' | C4' | C5' | H4' | 120.4° | 122.9° |
| C3' | C4' | C5' | O5' | 71.6° | 175.0° |
| C3' | C4' | C5' | H5' | 168.4° | 55.0° |
| C3' | C4' | C5' | H5'A | 48.4° | 65.0° |
| O3' | C3' | C4' | O4' | 156.2° | 155.2° |
| O3' | C3' | C4' | C5' | 83.4° | 86.3° |
| O3' | C3' | C4' | H4' | 36.6° | 36.5° |
| H3' | C3' | O3' | HO3' | 60.2° | 62.1° |
| H3' | C3' | C4' | O4' | 94.0° | 81.2° |
| H3' | C3' | C4' | C5' | 26.4° | 37.4° |
| H3' | C3' | C4' | H4' | 146.4° | 160.2° |
| O4' | C4' | C5' | H4' | 119.6° | 123.0° |
| O4' | C4' | C5' | O5' | 48.3° | 70.9° |
| O4' | C4' | C5' | H5' | 71.7° | 169.1° |
| O4' | C4' | C5' | H5'A | 168.3° | 49.1° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 116.9° | 120.0° |
| H4' | C4' | C5' | O5' | 168.0° | 52.1° |
| H4' | C4' | C5' | H5' | 48.0° | 67.9° |
| H4' | C4' | C5' | H5'A | 72.1° | 172.1° |
| O5' | C5' | H5' | H5'A | 116.9° | 120.0° |
