GBR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.36Å | 1.38Å | |
| N1 | C6 | sing | 1.35Å | 1.40Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| N3 | C4 | sing | 1.34Å | 1.36Å | |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.43Å | |
| C5 | N7 | sing | 1.35Å | 1.39Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C1' | sing | 1.46Å | 1.46Å | |
| PA | O1A | sing | 1.61Å | 1.72Å | |
| PA | O2A | doub | 1.48Å | 1.48Å | |
| PA | O3A | sing | 1.61Å | 1.51Å | |
| PA | O5' | sing | 1.61Å | 1.60Å | |
| PB | O1B | sing | 1.61Å | 1.72Å | |
| PB | O2B | doub | 1.48Å | 1.49Å | |
| PB | O3A | sing | 1.61Å | 1.50Å | |
| PB | C3B | sing | 1.82Å | 1.85Å | |
| BRB | C3B | sing | 1.97Å | 1.97Å | |
| PG | O1G | sing | 1.61Å | 1.72Å | |
| PG | O2G | sing | 1.61Å | 1.72Å | |
| PG | C3B | sing | 1.82Å | 1.83Å | |
| PG | O3G | doub | 1.48Å | 1.48Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| 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 | |
| O1A | H14 | sing | 0.97Å | 0.95Å | |
| O1B | H15 | sing | 0.97Å | 0.95Å | |
| O1G | H16 | sing | 0.97Å | 0.95Å | |
| O2G | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 125.1° | 120.3° |
| C2 | N1 | HN1 | 117.4° | 119.8° |
| N1 | C2 | N2 | 116.7° | 119.0° |
| N1 | C2 | N3 | 123.5° | 121.9° |
| C6 | N1 | HN1 | 117.4° | 119.9° |
| N1 | C6 | C5 | 111.7° | 118.3° |
| N1 | C6 | O6 | 119.9° | 120.8° |
| N2 | C2 | N3 | 119.8° | 119.1° |
| C2 | N2 | HN2 | 120.0° | 120.1° |
| C2 | N2 | HN2A | 120.0° | 119.9° |
| C2 | N3 | C4 | 112.3° | 121.1° |
| HN2 | N2 | HN2A | 120.0° | 120.0° |
| N3 | C4 | C5 | 128.7° | 119.7° |
| N3 | C4 | N9 | 125.9° | 134.2° |
| C5 | C4 | N9 | 105.4° | 106.1° |
| C4 | C5 | C6 | 118.6° | 118.6° |
| C4 | C5 | N7 | 110.8° | 107.3° |
| C4 | N9 | C8 | 106.4° | 107.5° |
| C4 | N9 | C1' | 125.9° | 126.3° |
| C6 | C5 | N7 | 130.6° | 134.1° |
| C5 | C6 | O6 | 128.4° | 120.8° |
| C5 | N7 | C8 | 104.2° | 109.3° |
| N7 | C8 | N9 | 113.1° | 109.8° |
| N7 | C8 | H8 | 123.4° | 125.1° |
| N9 | C8 | H8 | 123.4° | 125.1° |
| C8 | N9 | C1' | 127.6° | 126.3° |
| N9 | C1' | C2' | 111.4° | 109.9° |
| N9 | C1' | O4' | 108.5° | 109.9° |
| N9 | C1' | H1' | 107.9° | 109.9° |
| O1A | PA | O2A | 119.2° | 109.5° |
| O1A | PA | O3A | 110.3° | 109.5° |
| O1A | PA | O5' | 106.2° | 109.5° |
| PA | O1A | H14 | 109.5° | 114.0° |
| O2A | PA | O3A | 109.2° | 109.4° |
| O2A | PA | O5' | 107.2° | 109.5° |
| O3A | PA | O5' | 103.6° | 109.5° |
| PA | O3A | PB | 130.7° | 134.0° |
| PA | O5' | C5' | 120.5° | 123.0° |
| O1B | PB | O2B | 118.1° | 109.5° |
| O1B | PB | O3A | 102.7° | 109.4° |
| O1B | PB | C3B | 109.6° | 109.5° |
| PB | O1B | H15 | 109.5° | 114.0° |
| O2B | PB | O3A | 106.9° | 109.5° |
| O2B | PB | C3B | 109.9° | 109.5° |
| O3A | PB | C3B | 109.2° | 109.5° |
| PB | C3B | BRB | 111.5° | 109.5° |
| PB | C3B | PG | 115.8° | 109.5° |
| PB | C3B | H3B | 103.2° | 109.5° |
| BRB | C3B | PG | 108.8° | 109.5° |
| BRB | C3B | H3B | 111.0° | 109.4° |
| O1G | PG | O2G | 118.4° | 109.5° |
| O1G | PG | C3B | 108.8° | 109.5° |
| O1G | PG | O3G | 104.4° | 109.5° |
| PG | O1G | H16 | 109.5° | 114.0° |
| O2G | PG | C3B | 110.0° | 109.5° |
| O2G | PG | O3G | 104.9° | 109.4° |
| PG | O2G | H17 | 109.5° | 114.0° |
| C3B | PG | O3G | 109.9° | 109.5° |
| PG | C3B | H3B | 106.3° | 109.5° |
| C2' | C1' | O4' | 106.7° | 107.3° |
| C2' | C1' | H1' | 109.7° | 109.9° |
| C1' | C2' | C3' | 101.6° | 104.2° |
| C1' | C2' | H2' | 112.2° | 110.5° |
| C1' | C2' | H2'A | 112.2° | 110.4° |
| O4' | C1' | H1' | 112.6° | 110.0° |
| C1' | O4' | C4' | 108.9° | 107.0° |
| C3' | C2' | H2' | 112.2° | 110.5° |
| C3' | C2' | H2'A | 112.2° | 110.5° |
| C2' | C3' | O3' | 110.6° | 110.9° |
| C2' | C3' | C4' | 100.7° | 102.1° |
| C2' | C3' | H3' | 115.0° | 110.9° |
| H2' | C2' | H2'A | 106.6° | 110.5° |
| O3' | C3' | C4' | 111.4° | 110.9° |
| O3' | C3' | H3' | 105.0° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C4' | C3' | H3' | 114.3° | 111.0° |
| C3' | C4' | O4' | 103.9° | 103.5° |
| C3' | C4' | C5' | 116.9° | 110.6° |
| C3' | C4' | H4' | 108.8° | 110.6° |
| O4' | C4' | C5' | 110.6° | 110.6° |
| O4' | C4' | H4' | 115.3° | 110.6° |
| C5' | C4' | H4' | 101.8° | 110.7° |
| C4' | C5' | O5' | 110.9° | 109.5° |
| C4' | C5' | H5' | 109.0° | 109.4° |
| C4' | C5' | H5'A | 109.0° | 109.4° |
| O5' | C5' | H5' | 109.0° | 109.5° |
| O5' | C5' | H5'A | 109.0° | 109.5° |
| H5' | C5' | H5'A | 109.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | HN1 | 180.0° | 179.9° |
| N1 | C2 | N2 | N3 | 179.8° | 180.0° |
| N1 | C2 | N2 | HN2 | 179.8° | 0.0° |
| N1 | C2 | N2 | HN2A | 0.2° | 180.0° |
| N1 | C2 | N3 | C4 | 0.5° | 0.0° |
| C2 | N1 | C6 | C5 | 0.7° | 0.1° |
| C2 | N1 | C6 | O6 | 178.6° | 180.0° |
| C6 | N1 | C2 | N2 | 179.8° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| N1 | C6 | C5 | C4 | 1.0° | 0.1° |
| N1 | C6 | C5 | O6 | 179.2° | 179.9° |
| N1 | C6 | C5 | N7 | 179.6° | 180.0° |
| HN1 | N1 | C2 | N2 | 0.3° | 0.2° |
| HN1 | N1 | C2 | N3 | 179.9° | 179.8° |
| HN1 | N1 | C6 | C5 | 179.3° | 179.8° |
| HN1 | N1 | C6 | O6 | 1.4° | 0.1° |
| C2 | N2 | HN2 | HN2A | 180.0° | 180.0° |
| N2 | C2 | N3 | C4 | 179.4° | 180.0° |
| N3 | C2 | N2 | HN2 | 0.0° | 180.0° |
| N3 | C2 | N2 | HN2A | 180.0° | 0.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| C2 | N3 | C4 | N9 | 178.3° | 180.0° |
| N3 | C4 | C5 | N9 | 178.5° | 180.0° |
| N3 | C4 | C5 | C6 | 0.8° | 0.0° |
| N3 | C4 | C5 | N7 | 179.8° | 180.0° |
| N3 | C4 | N9 | C8 | 179.3° | 180.0° |
| N3 | C4 | N9 | C1' | 3.2° | 0.0° |
| C4 | C5 | C6 | N7 | 179.3° | 180.0° |
| C4 | C5 | C6 | O6 | 178.2° | 180.0° |
| C4 | C5 | N7 | C8 | 0.6° | 0.0° |
| C5 | C4 | N9 | C8 | 2.1° | 0.0° |
| C5 | C4 | N9 | C1' | 175.4° | 180.0° |
| N9 | C4 | C5 | C6 | 177.7° | 180.0° |
| N9 | C4 | C5 | N7 | 1.7° | 0.0° |
| C4 | N9 | C8 | N7 | 2.0° | 0.0° |
| C4 | N9 | C8 | C1' | 177.5° | 180.0° |
| C4 | N9 | C8 | H8 | 178.0° | 180.0° |
| C4 | N9 | C1' | C2' | 98.7° | 85.0° |
| C4 | N9 | C1' | O4' | 144.1° | 157.1° |
| C4 | N9 | C1' | H1' | 21.8° | 36.0° |
| C6 | C5 | N7 | C8 | 178.8° | 180.0° |
| N7 | C5 | C6 | O6 | 1.1° | 0.1° |
| C5 | N7 | C8 | N9 | 0.9° | 0.0° |
| C5 | N7 | C8 | H8 | 179.1° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 175.5° | 180.0° |
| C8 | N9 | C1' | C2' | 78.3° | 95.0° |
| C8 | N9 | C1' | O4' | 38.9° | 22.8° |
| C8 | N9 | C1' | H1' | 161.2° | 144.0° |
| H8 | C8 | N9 | C1' | 4.5° | 0.0° |
| N9 | C1' | C2' | O4' | 118.3° | 119.4° |
| N9 | C1' | C2' | H1' | 119.5° | 121.1° |
| N9 | C1' | O4' | H1' | 119.4° | 121.1° |
| N9 | C1' | C2' | C3' | 92.0° | 121.4° |
| N9 | C1' | C2' | H2' | 148.0° | 119.9° |
| N9 | C1' | C2' | H2'A | 28.0° | 2.7° |
| N9 | C1' | O4' | C4' | 119.2° | 145.9° |
| O1A | PA | O2A | O3A | 127.9° | 120.0° |
| O1A | PA | O2A | O5' | 120.5° | 120.0° |
| O1A | PA | O3A | O5' | 113.2° | 120.0° |
| O1A | PA | O3A | PB | 17.5° | 75.0° |
| O1A | PA | O5' | C5' | 54.9° | 65.0° |
| O2A | PA | O3A | O5' | 114.0° | 120.0° |
| O2A | PA | O3A | PB | 115.3° | 45.0° |
| O2A | PA | O5' | C5' | 176.7° | 55.1° |
| O2A | PA | O1A | H14 | 133.4° | 180.0° |
| PA | O3A | PB | O1B | 168.1° | 60.0° |
| PA | O3A | PB | O2B | 43.1° | 60.0° |
| PA | O3A | PB | C3B | 75.7° | 180.0° |
| O3A | PA | O5' | C5' | 61.3° | 175.0° |
| O3A | PA | O1A | H14 | 6.0° | 60.0° |
| O5' | PA | O3A | PB | 130.7° | 165.0° |
| PA | O5' | C5' | C4' | 119.5° | 180.0° |
| PA | O5' | C5' | H5' | 120.5° | 60.1° |
| PA | O5' | C5' | H5'A | 0.5° | 60.0° |
| O5' | PA | O1A | H14 | 105.6° | 60.0° |
| O1B | PB | O2B | O3A | 115.0° | 120.0° |
| O1B | PB | O2B | C3B | 126.6° | 120.0° |
| O1B | PB | O3A | C3B | 116.3° | 120.0° |
| O1B | PB | C3B | BRB | 15.6° | 60.0° |
| O1B | PB | C3B | PG | 140.7° | 60.0° |
| O1B | PB | C3B | H3B | 103.6° | 180.0° |
| O2B | PB | O3A | C3B | 118.8° | 120.0° |
| O2B | PB | C3B | BRB | 115.7° | 180.0° |
| O2B | PB | C3B | PG | 9.4° | 60.0° |
| O2B | PB | C3B | H3B | 125.1° | 60.0° |
| O2B | PB | O1B | H15 | 0.0° | 180.0° |
| O3A | PB | C3B | BRB | 127.4° | 60.0° |
| O3A | PB | C3B | PG | 107.5° | 180.0° |
| O3A | PB | C3B | H3B | 8.2° | 60.0° |
| O3A | PB | O1B | H15 | 117.3° | 60.0° |
| PB | C3B | BRB | PG | 128.9° | 120.0° |
| PB | C3B | BRB | H3B | 114.5° | 120.0° |
| PB | C3B | PG | O1G | 32.0° | 60.0° |
| PB | C3B | PG | O2G | 163.2° | 180.0° |
| PB | C3B | PG | H3B | 113.9° | 120.0° |
| PB | C3B | PG | O3G | 81.8° | 60.0° |
| C3B | PB | O1B | H15 | 126.7° | 60.0° |
| BRB | C3B | PG | O1G | 158.5° | 60.0° |
| BRB | C3B | PG | O2G | 70.3° | 60.0° |
| BRB | C3B | PG | H3B | 119.6° | 120.0° |
| BRB | C3B | PG | O3G | 44.7° | 180.0° |
| O1G | PG | O2G | C3B | 125.9° | 120.0° |
| O1G | PG | O2G | O3G | 115.9° | 120.0° |
| O1G | PG | C3B | O3G | 113.8° | 120.0° |
| O1G | PG | C3B | H3B | 81.9° | 180.0° |
| O1G | PG | O2G | H17 | 115.9° | 59.9° |
| O2G | PG | C3B | O3G | 115.0° | 119.9° |
| O2G | PG | C3B | H3B | 49.3° | 60.0° |
| O2G | PG | O1G | H16 | 116.1° | 60.0° |
| C3B | PG | O1G | H16 | 117.4° | 60.0° |
| C3B | PG | O2G | H17 | 118.2° | 180.0° |
| O3G | PG | C3B | H3B | 164.3° | 60.0° |
| O3G | PG | O1G | H16 | 0.0° | 179.9° |
| O3G | PG | O2G | H17 | 0.0° | 60.1° |
| C2' | C1' | O4' | H1' | 120.4° | 119.4° |
| C1' | C2' | C3' | H2' | 120.0° | 118.7° |
| C1' | C2' | C3' | H2'A | 120.0° | 118.6° |
| C1' | C2' | H2' | H2'A | 123.2° | 122.5° |
| C1' | C2' | C3' | O3' | 157.6° | 139.1° |
| C1' | C2' | C3' | C4' | 39.7° | 20.9° |
| C1' | C2' | C3' | H3' | 83.6° | 97.4° |
| C2' | C1' | O4' | C4' | 1.0° | 26.5° |
| O4' | C1' | C2' | C3' | 26.3° | 2.0° |
| O4' | C1' | C2' | H2' | 93.7° | 120.7° |
| O4' | C1' | C2' | H2'A | 146.3° | 116.7° |
| C1' | O4' | C4' | C3' | 24.7° | 40.1° |
| C1' | O4' | C4' | C5' | 151.0° | 158.6° |
| C1' | O4' | C4' | H4' | 94.2° | 78.4° |
| H1' | C1' | C2' | C3' | 148.5° | 117.5° |
| H1' | C1' | C2' | H2' | 28.5° | 1.2° |
| H1' | C1' | C2' | H2'A | 91.5° | 123.8° |
| H1' | C1' | O4' | C4' | 121.4° | 93.0° |
| C3' | C2' | H2' | H2'A | 123.2° | 122.7° |
| C2' | C3' | O3' | C4' | 111.1° | 112.7° |
| C2' | C3' | O3' | H3' | 124.7° | 123.6° |
| C2' | C3' | C4' | H3' | 123.9° | 118.3° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
| C2' | C3' | C4' | O4' | 40.3° | 37.1° |
| C2' | C3' | C4' | C5' | 162.5° | 155.6° |
| C2' | C3' | C4' | H4' | 83.0° | 81.5° |
| H2' | C2' | C3' | O3' | 37.6° | 20.4° |
| H2' | C2' | C3' | C4' | 80.3° | 97.8° |
| H2' | C2' | C3' | H3' | 156.4° | 143.9° |
| H2'A | C2' | C3' | O3' | 82.4° | 102.3° |
| H2'A | C2' | C3' | C4' | 159.8° | 139.6° |
| H2'A | C2' | C3' | H3' | 36.4° | 21.3° |
| O3' | C3' | C4' | H3' | 118.8° | 123.6° |
| O3' | C3' | C4' | O4' | 157.6° | 155.2° |
| O3' | C3' | C4' | C5' | 80.2° | 86.3° |
| O3' | C3' | C4' | H4' | 34.3° | 36.7° |
| C4' | C3' | O3' | HO3' | 68.8° | 174.1° |
| C3' | C4' | O4' | C5' | 126.3° | 118.5° |
| C3' | C4' | O4' | H4' | 118.9° | 118.5° |
| C3' | C4' | C5' | H4' | 118.3° | 123.0° |
| C3' | C4' | C5' | O5' | 52.9° | 175.0° |
| C3' | C4' | C5' | H5' | 172.9° | 55.0° |
| C3' | C4' | C5' | H5'A | 67.0° | 65.0° |
| H3' | C3' | O3' | HO3' | 55.4° | 62.2° |
| H3' | C3' | C4' | O4' | 83.6° | 81.2° |
| H3' | C3' | C4' | C5' | 38.6° | 37.3° |
| H3' | C3' | C4' | H4' | 153.1° | 160.3° |
| O4' | C4' | C5' | H4' | 123.0° | 123.0° |
| O4' | C4' | C5' | O5' | 65.7° | 70.9° |
| O4' | C4' | C5' | H5' | 54.3° | 169.1° |
| O4' | C4' | C5' | H5'A | 174.3° | 49.1° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 119.4° | 120.0° |
| H4' | C4' | C5' | O5' | 171.2° | 52.1° |
| H4' | C4' | C5' | H5' | 68.8° | 67.9° |
| H4' | C4' | C5' | H5'A | 51.3° | 172.1° |
| O5' | C5' | H5' | H5'A | 119.4° | 120.1° |
