G3D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PB | O1B | doub | 1.48Å | 1.49Å | |
| PB | O2B | sing | 1.61Å | 1.40Å | |
| PB | O3B | sing | 1.61Å | 1.62Å | |
| PB | O3A | sing | 1.61Å | 1.57Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O3B | HOB3 | sing | 0.97Å | 0.95Å | |
| PA | O3A | sing | 1.61Å | 1.67Å | |
| PA | O1A | doub | 1.48Å | 1.50Å | |
| PA | O2A | sing | 1.61Å | 1.52Å | |
| PA | O5' | sing | 1.61Å | 1.55Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.46Å | |
| C5' | C4' | sing | 1.53Å | 1.46Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.50Å | |
| C4' | C3' | sing | 1.54Å | 1.58Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.50Å | |
| C3' | O3' | sing | 1.43Å | 1.48Å | |
| C3' | C2' | sing | 1.55Å | 1.55Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | P1 | sing | 1.61Å | 1.61Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | C1' | sing | 1.54Å | 1.55Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.37Å | 1.50Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.35Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.36Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | |
| C5 | C4 | doub | 1.40Å | 1.45Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.33Å | |
| C6 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C2 | sing | 1.36Å | 1.50Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| C2 | N3 | doub | 1.31Å | 1.27Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | sing | 1.34Å | 1.34Å | |
| P1 | O4P | sing | 1.61Å | 1.48Å | |
| P1 | O5P | sing | 1.61Å | 1.50Å | |
| P1 | O6P | doub | 1.48Å | 1.59Å | |
| O4P | HO4P | sing | 0.97Å | 0.95Å | |
| O5P | HO5P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | PB | O2B | 117.5° | 109.5° |
| O1B | PB | O3B | 109.2° | 109.5° |
| O1B | PB | O3A | 107.7° | 109.5° |
| O2B | PB | O3B | 112.5° | 109.4° |
| O2B | PB | O3A | 104.4° | 109.5° |
| PB | O2B | HOB2 | 117.6° | 106.8° |
| O3B | PB | O3A | 104.4° | 109.4° |
| PB | O3B | HOB3 | 109.2° | 106.8° |
| PB | O3A | PA | 131.5° | 106.8° |
| O3A | PA | O1A | 111.8° | 109.5° |
| O3A | PA | O2A | 105.2° | 109.5° |
| O3A | PA | O5' | 98.8° | 109.5° |
| O1A | PA | O2A | 115.8° | 109.5° |
| O1A | PA | O5' | 110.0° | 109.4° |
| O2A | PA | O5' | 113.8° | 109.5° |
| PA | O2A | HOA2 | 105.2° | 106.8° |
| PA | O5' | C5' | 121.7° | 106.8° |
| O5' | C5' | C4' | 114.5° | 109.5° |
| O5' | C5' | H5'1 | 110.3° | 109.4° |
| O5' | C5' | H5'2 | 110.3° | 109.5° |
| C4' | C5' | H5'1 | 110.4° | 109.4° |
| C4' | C5' | H5'2 | 110.4° | 109.5° |
| C5' | C4' | O4' | 108.4° | 110.3° |
| C5' | C4' | C3' | 115.3° | 110.5° |
| C5' | C4' | H4' | 103.9° | 110.3° |
| H5'1 | C5' | H5'2 | 99.9° | 109.5° |
| O4' | C4' | C3' | 100.9° | 104.8° |
| O4' | C4' | H4' | 117.7° | 110.4° |
| C4' | O4' | C1' | 113.3° | 105.3° |
| C3' | C4' | H4' | 111.1° | 110.4° |
| C4' | C3' | O3' | 104.3° | 110.6° |
| C4' | C3' | C2' | 106.9° | 104.1° |
| C4' | C3' | H3' | 114.2° | 110.5° |
| O4' | C1' | C2' | 103.3° | 104.9° |
| O4' | C1' | N9 | 107.4° | 110.4° |
| O4' | C1' | H1' | 117.4° | 110.4° |
| O3' | C3' | C2' | 109.0° | 110.5° |
| O3' | C3' | H3' | 112.2° | 110.4° |
| C3' | O3' | P1 | 121.2° | 106.9° |
| C2' | C3' | H3' | 109.9° | 110.6° |
| C3' | C2' | O2' | 119.6° | 110.5° |
| C3' | C2' | C1' | 101.3° | 104.0° |
| C3' | C2' | H2' | 109.2° | 110.5° |
| O3' | P1 | O4P | 106.4° | 109.5° |
| O3' | P1 | O5P | 110.0° | 109.5° |
| O3' | P1 | O6P | 103.4° | 109.4° |
| O2' | C2' | C1' | 111.2° | 110.8° |
| O2' | C2' | H2' | 98.8° | 110.4° |
| C2' | O2' | HO2' | 119.6° | 106.8° |
| C1' | C2' | H2' | 117.8° | 110.4° |
| C2' | C1' | N9 | 116.5° | 110.4° |
| C2' | C1' | H1' | 108.4° | 110.4° |
| N9 | C1' | H1' | 104.4° | 110.3° |
| C1' | N9 | C8 | 119.7° | 126.3° |
| C1' | N9 | C4 | 123.4° | 126.3° |
| C8 | N9 | C4 | 116.9° | 107.5° |
| N9 | C8 | N7 | 93.2° | 109.8° |
| N9 | C8 | H8 | 135.4° | 125.1° |
| N9 | C4 | C5 | 104.3° | 106.1° |
| N9 | C4 | N3 | 127.9° | 134.2° |
| N7 | C8 | H8 | 131.3° | 125.1° |
| C8 | N7 | C5 | 121.3° | 109.3° |
| N7 | C5 | C6 | 146.0° | 134.1° |
| N7 | C5 | C4 | 104.3° | 107.3° |
| C6 | C5 | C4 | 109.7° | 118.6° |
| C5 | C6 | O6 | 115.9° | 120.9° |
| C5 | C6 | N1 | 124.8° | 118.4° |
| C5 | C4 | N3 | 127.8° | 119.7° |
| O6 | C6 | N1 | 119.3° | 120.8° |
| C6 | N1 | C2 | 117.9° | 120.3° |
| C6 | N1 | HN1 | 116.3° | 119.9° |
| C2 | N1 | HN1 | 125.8° | 119.9° |
| N1 | C2 | N2 | 108.6° | 119.0° |
| N1 | C2 | N3 | 119.7° | 121.9° |
| N2 | C2 | N3 | 131.7° | 119.1° |
| C2 | N2 | HN21 | 108.6° | 120.0° |
| C2 | N2 | HN22 | 112.5° | 120.1° |
| C2 | N3 | C4 | 120.1° | 121.1° |
| HN21 | N2 | HN22 | 112.5° | 120.0° |
| O4P | P1 | O5P | 119.6° | 109.5° |
| O4P | P1 | O6P | 108.5° | 109.5° |
| P1 | O4P | HO4P | 106.4° | 106.9° |
| O5P | P1 | O6P | 107.7° | 109.4° |
| P1 | O5P | HO5P | 110.0° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | PB | O2B | O3B | 128.2° | 120.0° |
| O1B | PB | O2B | O3A | 119.2° | 120.0° |
| O1B | PB | O3B | O3A | 115.0° | 120.0° |
| O1B | PB | O2B | HOB2 | 180.0° | 60.0° |
| O1B | PB | O3B | HOB3 | 180.0° | 180.0° |
| O1B | PB | O3A | PA | 129.0° | 60.0° |
| O2B | PB | O3B | O3A | 112.6° | 120.0° |
| O2B | PB | O3B | HOB3 | 47.6° | 60.0° |
| O2B | PB | O3A | PA | 3.4° | 180.0° |
| O3B | PB | O2B | HOB2 | 51.8° | 60.0° |
| O3B | PB | O3A | PA | 115.0° | 60.0° |
| O3A | PB | O2B | HOB2 | 60.8° | 180.0° |
| O3A | PB | O3B | HOB3 | 65.0° | 60.0° |
| PB | O3A | PA | O1A | 62.3° | 60.0° |
| PB | O3A | PA | O2A | 64.1° | 60.0° |
| PB | O3A | PA | O5' | 178.1° | 179.9° |
| O3A | PA | O1A | O2A | 120.4° | 120.0° |
| O3A | PA | O1A | O5' | 108.7° | 120.0° |
| O3A | PA | O2A | O5' | 107.0° | 120.0° |
| O3A | PA | O2A | HOA2 | 180.0° | 60.0° |
| O3A | PA | O5' | C5' | 60.3° | 180.0° |
| O1A | PA | O2A | O5' | 129.0° | 120.0° |
| O1A | PA | O2A | HOA2 | 56.0° | 180.0° |
| O1A | PA | O5' | C5' | 177.4° | 60.0° |
| O2A | PA | O5' | C5' | 50.7° | 60.0° |
| O5' | PA | O2A | HOA2 | 73.0° | 60.1° |
| PA | O5' | C5' | C4' | 150.7° | 179.9° |
| PA | O5' | C5' | H5'1 | 25.5° | 60.0° |
| PA | O5' | C5' | H5'2 | 84.0° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.2° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.2° | 120.1° |
| O5' | C5' | H5'1 | H5'2 | 116.2° | 120.0° |
| O5' | C5' | C4' | O4' | 60.1° | 61.5° |
| O5' | C5' | C4' | C3' | 52.2° | 176.9° |
| O5' | C5' | C4' | H4' | 174.0° | 60.7° |
| C4' | C5' | H5'1 | H5'2 | 116.3° | 120.0° |
| C5' | C4' | O4' | C3' | 121.6° | 118.9° |
| C5' | C4' | O4' | H4' | 117.5° | 122.2° |
| C5' | C4' | C3' | H4' | 117.9° | 122.3° |
| C5' | C4' | O4' | C1' | 121.0° | 159.5° |
| C5' | C4' | C3' | O3' | 151.5° | 98.4° |
| C5' | C4' | C3' | C2' | 93.1° | 142.9° |
| C5' | C4' | C3' | H3' | 28.6° | 24.2° |
| H5'1 | C5' | C4' | O4' | 174.7° | 178.6° |
| H5'1 | C5' | C4' | C3' | 73.0° | 63.1° |
| H5'1 | C5' | C4' | H4' | 48.8° | 59.2° |
| H5'2 | C5' | C4' | O4' | 65.2° | 58.6° |
| H5'2 | C5' | C4' | C3' | 177.4° | 56.9° |
| H5'2 | C5' | C4' | H4' | 60.8° | 179.2° |
| O4' | C4' | C3' | H4' | 125.5° | 118.9° |
| O4' | C4' | C3' | O3' | 91.9° | 142.8° |
| O4' | C4' | C3' | C2' | 23.5° | 24.1° |
| O4' | C4' | C3' | H3' | 145.2° | 94.6° |
| C4' | O4' | C1' | C2' | 22.2° | 40.5° |
| C4' | O4' | C1' | N9 | 145.9° | 159.4° |
| C4' | O4' | C1' | H1' | 97.0° | 78.5° |
| C3' | C4' | O4' | C1' | 0.6° | 40.5° |
| C4' | C3' | O3' | C2' | 113.9° | 114.7° |
| C4' | C3' | O3' | H3' | 124.2° | 122.6° |
| C4' | C3' | C2' | H3' | 124.4° | 118.7° |
| C4' | C3' | O3' | P1 | 137.6° | 120.0° |
| C4' | C3' | C2' | O2' | 159.3° | 118.8° |
| C4' | C3' | C2' | C1' | 36.8° | 0.1° |
| C4' | C3' | C2' | H2' | 88.2° | 118.6° |
| H4' | C4' | O4' | C1' | 121.6° | 78.3° |
| H4' | C4' | C3' | O3' | 33.6° | 23.9° |
| H4' | C4' | C3' | C2' | 149.0° | 94.8° |
| H4' | C4' | C3' | H3' | 89.3° | 146.5° |
| O4' | C1' | C2' | C3' | 34.8° | 23.9° |
| O4' | C1' | C2' | O2' | 162.9° | 142.6° |
| O4' | C1' | C2' | N9 | 117.5° | 118.9° |
| O4' | C1' | C2' | H1' | 125.2° | 118.9° |
| O4' | C1' | C2' | H2' | 84.2° | 94.7° |
| O4' | C1' | N9 | H1' | 125.3° | 122.2° |
| O4' | C1' | N9 | C8 | 67.4° | 27.0° |
| O4' | C1' | N9 | C4 | 112.0° | 153.0° |
| O3' | C3' | C2' | H3' | 123.4° | 122.6° |
| O3' | C3' | C2' | O2' | 47.1° | 0.1° |
| O3' | C3' | C2' | C1' | 75.4° | 118.9° |
| O3' | C3' | C2' | H2' | 159.6° | 122.6° |
| C3' | O3' | P1 | O4P | 77.0° | 180.0° |
| C3' | O3' | P1 | O5P | 54.0° | 60.0° |
| C3' | O3' | P1 | O6P | 168.8° | 60.0° |
| C2' | C3' | O3' | P1 | 108.5° | 125.3° |
| C3' | C2' | O2' | C1' | 117.5° | 114.7° |
| C3' | C2' | O2' | H2' | 118.0° | 122.6° |
| C3' | C2' | C1' | H2' | 119.0° | 118.6° |
| C3' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C3' | C2' | C1' | N9 | 152.4° | 142.7° |
| C3' | C2' | C1' | H1' | 90.4° | 95.0° |
| H3' | C3' | O3' | P1 | 13.4° | 2.6° |
| H3' | C3' | C2' | O2' | 76.3° | 122.5° |
| H3' | C3' | C2' | C1' | 161.2° | 118.6° |
| H3' | C3' | C2' | H2' | 36.2° | 0.0° |
| O3' | P1 | O4P | O5P | 125.3° | 120.0° |
| O3' | P1 | O4P | O6P | 110.7° | 120.0° |
| O3' | P1 | O5P | O6P | 112.1° | 119.9° |
| O3' | P1 | O4P | HO4P | 180.0° | 180.0° |
| O3' | P1 | O5P | HO5P | 180.0° | 60.0° |
| O2' | C2' | C1' | H2' | 112.9° | 122.6° |
| O2' | C2' | C1' | N9 | 79.5° | 98.5° |
| O2' | C2' | C1' | H1' | 37.7° | 23.7° |
| C1' | C2' | O2' | HO2' | 62.5° | 65.3° |
| C2' | C1' | N9 | H1' | 119.5° | 122.3° |
| C2' | C1' | N9 | C8 | 47.9° | 88.5° |
| C2' | C1' | N9 | C4 | 132.7° | 91.5° |
| H2' | C2' | O2' | HO2' | 62.0° | 57.4° |
| H2' | C2' | C1' | N9 | 33.4° | 24.1° |
| H2' | C2' | C1' | H1' | 150.7° | 146.4° |
| C1' | N9 | C8 | C4 | 179.5° | 180.0° |
| C1' | N9 | C8 | N7 | 179.5° | 180.0° |
| C1' | N9 | C8 | H8 | 0.5° | 0.0° |
| C1' | N9 | C4 | C5 | 179.3° | 180.0° |
| C1' | N9 | C4 | N3 | 0.5° | 0.0° |
| H1' | C1' | N9 | C8 | 167.3° | 149.2° |
| H1' | C1' | N9 | C4 | 13.3° | 30.8° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.2° | 0.1° |
| C8 | N9 | C4 | C5 | 0.1° | 0.0° |
| C8 | N9 | C4 | N3 | 180.0° | 180.0° |
| C4 | N9 | C8 | N7 | 0.0° | 0.1° |
| C4 | N9 | C8 | H8 | 180.0° | 180.0° |
| N9 | C4 | C5 | N7 | 0.3° | 0.1° |
| N9 | C4 | C5 | C6 | 179.8° | 180.0° |
| N9 | C4 | C5 | N3 | 179.8° | 180.0° |
| N9 | C4 | N3 | C2 | 179.7° | 179.9° |
| C8 | N7 | C5 | C6 | 179.8° | 180.0° |
| C8 | N7 | C5 | C4 | 0.3° | 0.1° |
| H8 | C8 | N7 | C5 | 179.8° | 180.0° |
| N7 | C5 | C6 | C4 | 179.9° | 179.9° |
| N7 | C5 | C6 | O6 | 0.4° | 0.0° |
| N7 | C5 | C6 | N1 | 180.0° | 179.6° |
| N7 | C5 | C4 | N3 | 179.9° | 179.9° |
| C5 | C6 | O6 | N1 | 179.7° | 179.7° |
| C5 | C6 | N1 | C2 | 0.2° | 0.6° |
| C5 | C6 | N1 | HN1 | 179.9° | 180.0° |
| C6 | C5 | C4 | N3 | 0.0° | 0.0° |
| C4 | C5 | C6 | O6 | 179.7° | 180.0° |
| C4 | C5 | C6 | N1 | 0.1° | 0.3° |
| C5 | C4 | N3 | C2 | 0.0° | 0.0° |
| O6 | C6 | N1 | C2 | 179.8° | 179.7° |
| O6 | C6 | N1 | HN1 | 0.3° | 0.3° |
| C6 | N1 | C2 | HN1 | 179.9° | 179.4° |
| C6 | N1 | C2 | N2 | 180.0° | 179.7° |
| C6 | N1 | C2 | N3 | 0.1° | 0.7° |
| N1 | C2 | N2 | N3 | 179.9° | 179.6° |
| N1 | C2 | N2 | HN21 | 180.0° | 179.8° |
| N1 | C2 | N2 | HN22 | 54.8° | 0.6° |
| N1 | C2 | N3 | C4 | 0.0° | 0.4° |
| HN1 | N1 | C2 | N2 | 0.1° | 0.3° |
| HN1 | N1 | C2 | N3 | 179.9° | 179.9° |
| C2 | N2 | HN21 | HN22 | 125.2° | 179.7° |
| N2 | C2 | N3 | C4 | 179.9° | 180.0° |
| N3 | C2 | N2 | HN21 | 0.2° | 0.1° |
| N3 | C2 | N2 | HN22 | 125.4° | 179.8° |
| O4P | P1 | O5P | O6P | 124.4° | 120.0° |
| O4P | P1 | O5P | HO5P | 56.4° | 60.0° |
| O5P | P1 | O4P | HO4P | 54.7° | 59.9° |
| O6P | P1 | O4P | HO4P | 69.3° | 60.0° |
| O6P | P1 | O5P | HO5P | 68.0° | 180.0° |
