GCQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3B | PB | sing | 1.61Å | 1.51Å | |
| O3B | H3B | sing | 0.97Å | 0.95Å | |
| PB | O1B | sing | 1.61Å | 1.50Å | |
| PB | O2B | doub | 1.48Å | 1.52Å | |
| PB | O3A | sing | 1.61Å | 1.61Å | |
| O1B | H1B | sing | 0.97Å | 0.95Å | |
| O3A | PA | sing | 1.61Å | 1.62Å | |
| PA | O1A | sing | 1.61Å | 1.50Å | |
| PA | O2A | doub | 1.48Å | 1.56Å | |
| PA | O5' | sing | 1.61Å | 1.60Å | |
| O1A | H1A | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | C3' | sing | 1.54Å | 1.50Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | H1 | sing | 0.97Å | 0.95Å | |
| C2' | F1 | sing | 1.40Å | 1.43Å | |
| C2' | C1' | sing | 1.55Å | 1.54Å | |
| C2' | F2 | sing | 1.40Å | 1.32Å | |
| O4' | C1' | sing | 1.44Å | 1.45Å | |
| C1' | N1 | sing | 1.46Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N1 | C6 | sing | 1.36Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.35Å | 1.45Å | Aromatic |
| C6 | C5 | doub | 1.35Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | N4 | sing | 1.38Å | 1.37Å | |
| C4 | N3 | doub | 1.33Å | 1.38Å | Aromatic |
| N4 | HN41 | sing | 0.97Å | 1.00Å | |
| N4 | HN42 | sing | 0.97Å | 1.00Å | |
| N3 | C2 | sing | 1.33Å | 1.38Å | Aromatic |
| C2 | O2 | doub | 1.22Å | 1.27Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| PB | O3B | H3B | 109.5° | 106.8° |
| O3B | PB | O1B | 115.7° | 109.4° |
| O3B | PB | O2B | 116.6° | 109.5° |
| O3B | PB | O3A | 102.2° | 109.5° |
| O1B | PB | O2B | 106.6° | 109.5° |
| O1B | PB | O3A | 100.7° | 109.5° |
| PB | O1B | H1B | 109.5° | 106.9° |
| O2B | PB | O3A | 114.1° | 109.5° |
| PB | O3A | PA | 135.2° | 106.8° |
| O3A | PA | O1A | 100.9° | 109.5° |
| O3A | PA | O2A | 113.2° | 109.5° |
| O3A | PA | O5' | 101.4° | 109.4° |
| O1A | PA | O2A | 116.0° | 109.5° |
| O1A | PA | O5' | 108.8° | 109.5° |
| PA | O1A | H1A | 109.5° | 106.8° |
| O2A | PA | O5' | 114.8° | 109.4° |
| PA | O5' | C5' | 121.1° | 106.8° |
| O5' | C5' | C4' | 112.2° | 109.5° |
| O5' | C5' | H5'1 | 108.0° | 109.5° |
| O5' | C5' | H5'2 | 108.6° | 109.5° |
| C4' | C5' | H5'1 | 108.0° | 109.5° |
| C4' | C5' | H5'2 | 108.6° | 109.5° |
| C5' | C4' | C3' | 113.8° | 110.5° |
| C5' | C4' | O4' | 114.1° | 110.3° |
| C5' | C4' | H4' | 102.7° | 110.4° |
| H5'1 | C5' | H5'2 | 111.6° | 109.4° |
| C3' | C4' | O4' | 109.0° | 104.8° |
| C3' | C4' | H4' | 108.5° | 110.3° |
| C4' | C3' | O3' | 107.5° | 110.5° |
| C4' | C3' | C2' | 106.5° | 104.1° |
| C4' | C3' | H3' | 114.1° | 110.5° |
| O4' | C4' | H4' | 108.2° | 110.4° |
| C4' | O4' | C1' | 110.4° | 105.2° |
| O3' | C3' | C2' | 113.6° | 110.5° |
| O3' | C3' | H3' | 107.1° | 110.5° |
| C3' | O3' | H1 | 109.5° | 106.8° |
| C2' | C3' | H3' | 108.2° | 110.6° |
| C3' | C2' | F1 | 109.2° | 110.5° |
| C3' | C2' | C1' | 106.8° | 103.9° |
| C3' | C2' | F2 | 110.1° | 110.5° |
| F1 | C2' | C1' | 111.1° | 110.6° |
| F1 | C2' | F2 | 105.3° | 110.6° |
| C1' | C2' | F2 | 114.3° | 110.5° |
| C2' | C1' | O4' | 107.3° | 104.9° |
| C2' | C1' | N1 | 110.7° | 110.3° |
| C2' | C1' | H1' | 112.1° | 110.4° |
| O4' | C1' | N1 | 114.6° | 110.4° |
| O4' | C1' | H1' | 107.9° | 110.4° |
| N1 | C1' | H1' | 104.3° | 110.4° |
| C1' | N1 | C6 | 123.2° | 119.8° |
| C1' | N1 | C2 | 118.6° | 119.8° |
| C6 | N1 | C2 | 118.2° | 120.3° |
| N1 | C6 | C5 | 122.0° | 119.3° |
| N1 | C6 | H6 | 119.0° | 120.3° |
| N1 | C2 | N3 | 119.3° | 121.0° |
| N1 | C2 | O2 | 120.1° | 119.5° |
| C5 | C6 | H6 | 119.0° | 120.3° |
| C6 | C5 | C4 | 118.5° | 118.9° |
| C6 | C5 | H5 | 120.8° | 120.5° |
| C4 | C5 | H5 | 120.7° | 120.6° |
| C5 | C4 | N4 | 119.3° | 120.2° |
| C5 | C4 | N3 | 120.2° | 119.7° |
| N4 | C4 | N3 | 120.5° | 120.2° |
| C4 | N4 | HN41 | 125.6° | 120.0° |
| C4 | N4 | HN42 | 108.9° | 120.0° |
| C4 | N3 | C2 | 121.9° | 120.7° |
| HN41 | N4 | HN42 | 125.5° | 120.0° |
| N3 | C2 | O2 | 120.6° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3B | PB | O1B | O2B | 131.5° | 119.9° |
| O3B | PB | O1B | O3A | 109.2° | 120.0° |
| O3B | PB | O2B | O3A | 118.8° | 120.0° |
| O3B | PB | O1B | H1B | 161.3° | 60.0° |
| O3B | PB | O3A | PA | 127.5° | 165.0° |
| H3B | O3B | PB | O1B | 93.1° | 60.0° |
| H3B | O3B | PB | O2B | 140.3° | 60.0° |
| H3B | O3B | PB | O3A | 15.2° | 180.0° |
| O1B | PB | O2B | O3A | 110.2° | 120.0° |
| O1B | PB | O3A | PA | 113.0° | 75.0° |
| O2B | PB | O1B | H1B | 29.9° | 180.0° |
| O2B | PB | O3A | PA | 0.7° | 45.0° |
| O3A | PB | O1B | H1B | 89.5° | 60.0° |
| PB | O3A | PA | O1A | 166.8° | 80.0° |
| PB | O3A | PA | O2A | 42.2° | 40.0° |
| PB | O3A | PA | O5' | 81.3° | 160.0° |
| O3A | PA | O1A | O2A | 122.7° | 120.1° |
| O3A | PA | O1A | O5' | 106.1° | 120.0° |
| O3A | PA | O2A | O5' | 115.7° | 120.0° |
| O3A | PA | O1A | H1A | 125.8° | 59.9° |
| O3A | PA | O5' | C5' | 177.3° | 175.0° |
| O1A | PA | O2A | O5' | 128.3° | 120.0° |
| O1A | PA | O5' | C5' | 71.5° | 65.0° |
| O2A | PA | O1A | H1A | 3.1° | 180.0° |
| O2A | PA | O5' | C5' | 60.3° | 55.0° |
| O5' | PA | O1A | H1A | 128.1° | 60.1° |
| PA | O5' | C5' | C4' | 170.4° | 180.0° |
| PA | O5' | C5' | H5'1 | 70.7° | 60.0° |
| PA | O5' | C5' | H5'2 | 50.4° | 60.0° |
| O5' | C5' | C4' | H5'1 | 118.9° | 120.0° |
| O5' | C5' | C4' | H5'2 | 120.0° | 120.1° |
| O5' | C5' | H5'1 | H5'2 | 119.3° | 120.0° |
| O5' | C5' | C4' | C3' | 129.1° | 178.1° |
| O5' | C5' | C4' | O4' | 3.1° | 66.5° |
| O5' | C5' | C4' | H4' | 113.8° | 55.8° |
| C4' | C5' | H5'1 | H5'2 | 119.2° | 120.0° |
| C5' | C4' | C3' | O4' | 128.6° | 118.9° |
| C5' | C4' | C3' | H4' | 113.7° | 122.3° |
| C5' | C4' | O4' | H4' | 113.7° | 122.2° |
| C5' | C4' | C3' | O3' | 109.0° | 98.4° |
| C5' | C4' | C3' | C2' | 129.0° | 142.9° |
| C5' | C4' | C3' | H3' | 9.7° | 24.2° |
| C5' | C4' | O4' | C1' | 130.4° | 159.5° |
| H5'1 | C5' | C4' | C3' | 112.0° | 58.1° |
| H5'1 | C5' | C4' | O4' | 122.0° | 173.6° |
| H5'1 | C5' | C4' | H4' | 5.1° | 64.2° |
| H5'2 | C5' | C4' | C3' | 9.1° | 61.9° |
| H5'2 | C5' | C4' | O4' | 116.9° | 53.6° |
| H5'2 | C5' | C4' | H4' | 126.2° | 175.8° |
| C3' | C4' | O4' | H4' | 117.8° | 118.8° |
| C4' | C3' | O3' | C2' | 117.5° | 114.7° |
| C4' | C3' | O3' | H3' | 123.1° | 122.6° |
| C4' | C3' | C2' | H3' | 123.1° | 118.7° |
| C4' | C3' | O3' | H1 | 31.0° | 180.0° |
| C4' | C3' | C2' | F1 | 121.4° | 118.6° |
| C4' | C3' | C2' | C1' | 1.2° | 0.1° |
| C4' | C3' | C2' | F2 | 123.4° | 118.6° |
| C3' | C4' | O4' | C1' | 1.9° | 40.5° |
| O4' | C4' | C3' | O3' | 122.4° | 142.7° |
| O4' | C4' | C3' | C2' | 0.4° | 24.1° |
| O4' | C4' | C3' | H3' | 118.9° | 94.6° |
| C4' | O4' | C1' | C2' | 2.6° | 40.5° |
| C4' | O4' | C1' | N1 | 126.0° | 159.3° |
| C4' | O4' | C1' | H1' | 118.3° | 78.4° |
| H4' | C4' | C3' | O3' | 4.7° | 23.9° |
| H4' | C4' | C3' | C2' | 117.3° | 94.8° |
| H4' | C4' | C3' | H3' | 123.4° | 146.5° |
| H4' | C4' | O4' | C1' | 115.9° | 78.3° |
| O3' | C3' | C2' | H3' | 118.8° | 122.7° |
| O3' | C3' | C2' | F1 | 3.3° | 0.0° |
| O3' | C3' | C2' | C1' | 116.9° | 118.8° |
| O3' | C3' | C2' | F2 | 118.5° | 122.7° |
| C2' | C3' | O3' | H1 | 86.5° | 65.3° |
| C3' | C2' | F1 | C1' | 117.5° | 114.6° |
| C3' | C2' | F1 | F2 | 118.3° | 122.7° |
| C3' | C2' | C1' | F2 | 122.0° | 118.6° |
| C3' | C2' | C1' | O4' | 2.3° | 23.9° |
| C3' | C2' | C1' | N1 | 128.1° | 142.8° |
| C3' | C2' | C1' | H1' | 116.0° | 95.0° |
| H3' | C3' | O3' | H1 | 154.1° | 57.4° |
| H3' | C3' | C2' | F1 | 115.5° | 122.7° |
| H3' | C3' | C2' | C1' | 124.3° | 118.5° |
| H3' | C3' | C2' | F2 | 0.3° | 0.0° |
| F1 | C2' | C1' | F2 | 119.0° | 122.8° |
| F1 | C2' | C1' | O4' | 121.3° | 142.5° |
| F1 | C2' | C1' | N1 | 112.9° | 98.6° |
| F1 | C2' | C1' | H1' | 3.0° | 23.6° |
| C2' | C1' | O4' | N1 | 123.4° | 118.8° |
| C2' | C1' | O4' | H1' | 120.9° | 118.9° |
| C2' | C1' | N1 | H1' | 120.7° | 122.2° |
| C2' | C1' | N1 | C6 | 87.5° | 116.6° |
| C2' | C1' | N1 | C2 | 92.3° | 63.5° |
| F2 | C2' | C1' | O4' | 119.7° | 94.7° |
| F2 | C2' | C1' | N1 | 6.0° | 24.2° |
| F2 | C2' | C1' | H1' | 122.0° | 146.4° |
| O4' | C1' | N1 | H1' | 117.8° | 122.3° |
| O4' | C1' | N1 | C6 | 34.0° | 128.0° |
| O4' | C1' | N1 | C2 | 146.2° | 52.0° |
| C1' | N1 | C6 | C2 | 179.8° | 180.0° |
| C1' | N1 | C6 | C5 | 179.7° | 179.7° |
| C1' | N1 | C6 | H6 | 0.3° | 0.1° |
| C1' | N1 | C2 | N3 | 179.8° | 180.0° |
| C1' | N1 | C2 | O2 | 0.2° | 0.0° |
| H1' | C1' | N1 | C6 | 151.8° | 5.6° |
| H1' | C1' | N1 | C2 | 28.4° | 174.3° |
| N1 | C6 | C5 | H6 | 180.0° | 179.8° |
| N1 | C6 | C5 | C4 | 0.0° | 0.5° |
| N1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | O2 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.2° |
| C2 | N1 | C6 | H6 | 179.9° | 180.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.1° |
| N1 | C2 | N3 | O2 | 179.9° | 180.0° |
| C6 | C5 | C4 | H5 | 180.0° | 179.5° |
| C6 | C5 | C4 | N4 | 180.0° | 179.7° |
| C6 | C5 | C4 | N3 | 0.1° | 0.5° |
| H6 | C6 | C5 | C4 | 179.9° | 179.7° |
| H6 | C6 | C5 | H5 | 0.1° | 0.2° |
| C5 | C4 | N4 | N3 | 180.0° | 179.8° |
| C5 | C4 | N4 | HN41 | 0.0° | 179.7° |
| C5 | C4 | N4 | HN42 | 180.0° | 0.5° |
| C5 | C4 | N3 | C2 | 0.1° | 0.2° |
| H5 | C5 | C4 | N4 | 0.0° | 0.3° |
| H5 | C5 | C4 | N3 | 180.0° | 179.9° |
| C4 | N4 | HN41 | HN42 | 180.0° | 179.8° |
| N4 | C4 | N3 | C2 | 179.9° | 180.0° |
| N3 | C4 | N4 | HN41 | 180.0° | 0.1° |
| N3 | C4 | N4 | HN42 | 0.0° | 179.7° |
| C4 | N3 | C2 | O2 | 179.9° | 180.0° |
