PRD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4A | C8A | doub | 1.42Å | 1.41Å | Aromatic |
| C4A | C5B | sing | 1.40Å | 1.36Å | Aromatic |
| C4A | C4B | sing | 1.42Å | 1.38Å | Aromatic |
| C8A | N1' | sing | 1.34Å | 1.46Å | Aromatic |
| C8A | N8' | sing | 1.33Å | 1.39Å | Aromatic |
| N1' | C2B | doub | 1.32Å | 1.31Å | Aromatic |
| N8' | C7B | doub | 1.31Å | 1.37Å | Aromatic |
| C7B | C6B | sing | 1.40Å | 1.44Å | Aromatic |
| C7B | H7' | sing | 1.08Å | 1.10Å | |
| C6B | N6' | sing | 1.40Å | 1.46Å | |
| C6B | C5B | doub | 1.39Å | 1.40Å | Aromatic |
| N6' | C61 | sing | 1.46Å | 1.47Å | |
| N6' | C7' | sing | 1.47Å | 1.34Å | |
| C61 | HC61 | sing | 1.09Å | 1.11Å | |
| C61 | HC62 | sing | 1.09Å | 1.12Å | |
| C61 | HC63 | sing | 1.09Å | 1.12Å | |
| C5B | H5' | sing | 1.08Å | 1.10Å | |
| C4B | N4' | sing | 1.38Å | 1.36Å | |
| C4B | N3' | doub | 1.33Å | 1.36Å | Aromatic |
| N4' | HN41 | sing | 0.97Å | 1.02Å | |
| N4' | HN42 | sing | 0.97Å | 1.02Å | |
| N3' | C2B | sing | 1.33Å | 1.36Å | Aromatic |
| C2B | N2' | sing | 1.38Å | 1.37Å | |
| N2' | HN21 | sing | 0.97Å | 1.02Å | |
| N2' | HN22 | sing | 0.97Å | 1.02Å | |
| C7' | C1' | sing | 1.51Å | 1.55Å | |
| C7' | HC71 | sing | 1.09Å | 1.11Å | |
| C7' | HC72 | sing | 1.09Å | 1.12Å | |
| C1' | C2' | doub | 1.39Å | 1.36Å | Aromatic |
| C1' | C6' | sing | 1.38Å | 1.44Å | Aromatic |
| C2' | C3' | sing | 1.39Å | 1.41Å | Aromatic |
| C2' | O2' | sing | 1.36Å | 1.43Å | |
| C3' | C4' | doub | 1.38Å | 1.41Å | Aromatic |
| C3' | HC3' | sing | 1.08Å | 1.10Å | |
| C4' | C5' | sing | 1.39Å | 1.42Å | Aromatic |
| C4' | HC4' | sing | 1.08Å | 1.10Å | |
| C5' | C6' | doub | 1.39Å | 1.35Å | Aromatic |
| C5' | O5' | sing | 1.36Å | 1.41Å | |
| C6' | HC6' | sing | 1.08Å | 1.10Å | |
| O2' | C21 | sing | 1.43Å | 1.50Å | |
| C21 | HC21 | sing | 1.09Å | 1.12Å | |
| C21 | HC22 | sing | 1.09Å | 1.12Å | |
| C21 | HC23 | sing | 1.09Å | 1.11Å | |
| O5' | C51 | sing | 1.43Å | 1.46Å | |
| C51 | HC51 | sing | 1.09Å | 1.11Å | |
| C51 | HC52 | sing | 1.09Å | 1.12Å | |
| C51 | HC53 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8A | C4A | C5B | 119.4° | 119.4° |
| C8A | C4A | C4B | 118.3° | 118.6° |
| C4A | C8A | N1' | 117.2° | 118.5° |
| C4A | C8A | N8' | 123.0° | 120.0° |
| C5B | C4A | C4B | 122.4° | 122.0° |
| C4A | C5B | C6B | 120.1° | 117.9° |
| C4A | C5B | H5' | 118.6° | 121.1° |
| C4A | C4B | N4' | 125.9° | 120.8° |
| C4A | C4B | N3' | 117.9° | 118.3° |
| N1' | C8A | N8' | 119.8° | 121.5° |
| C8A | N1' | C2B | 124.1° | 120.5° |
| C8A | N8' | C7B | 116.8° | 121.5° |
| N1' | C2B | N3' | 114.3° | 122.9° |
| N1' | C2B | N2' | 120.1° | 118.6° |
| N8' | C7B | C6B | 122.1° | 121.7° |
| N8' | C7B | H7' | 116.5° | 119.2° |
| C6B | C7B | H7' | 121.4° | 119.2° |
| C7B | C6B | N6' | 131.2° | 120.2° |
| C7B | C6B | C5B | 118.6° | 119.5° |
| N6' | C6B | C5B | 110.2° | 120.2° |
| C6B | N6' | C61 | 115.4° | 120.0° |
| C6B | N6' | C7' | 125.7° | 120.0° |
| C6B | C5B | H5' | 121.3° | 121.0° |
| C61 | N6' | C7' | 114.4° | 120.0° |
| N6' | C61 | HC61 | 115.4° | 109.5° |
| N6' | C61 | HC62 | 110.0° | 109.5° |
| N6' | C61 | HC63 | 110.0° | 109.5° |
| N6' | C7' | C1' | 124.0° | 109.5° |
| N6' | C7' | HC71 | 107.0° | 109.4° |
| N6' | C7' | HC72 | 107.1° | 109.4° |
| HC61 | C61 | HC62 | 110.1° | 109.4° |
| HC61 | C61 | HC63 | 110.0° | 109.4° |
| HC62 | C61 | HC63 | 100.1° | 109.5° |
| N4' | C4B | N3' | 116.1° | 120.9° |
| C4B | N4' | HN41 | 125.9° | 120.0° |
| C4B | N4' | HN42 | 106.5° | 120.0° |
| C4B | N3' | C2B | 128.2° | 121.3° |
| HN41 | N4' | HN42 | 106.4° | 120.0° |
| N3' | C2B | N2' | 125.5° | 118.6° |
| C2B | N2' | HN21 | 120.1° | 120.0° |
| C2B | N2' | HN22 | 108.4° | 120.0° |
| HN21 | N2' | HN22 | 108.4° | 120.0° |
| C1' | C7' | HC71 | 107.1° | 109.5° |
| C1' | C7' | HC72 | 107.1° | 109.6° |
| C7' | C1' | C2' | 115.0° | 120.0° |
| C7' | C1' | C6' | 125.0° | 120.0° |
| HC71 | C7' | HC72 | 102.6° | 109.4° |
| C2' | C1' | C6' | 120.0° | 120.0° |
| C1' | C2' | C3' | 123.4° | 120.0° |
| C1' | C2' | O2' | 119.3° | 120.0° |
| C1' | C6' | C5' | 117.0° | 120.0° |
| C1' | C6' | HC6' | 124.5° | 120.0° |
| C3' | C2' | O2' | 117.2° | 120.0° |
| C2' | C3' | C4' | 116.7° | 120.0° |
| C2' | C3' | HC3' | 121.8° | 120.1° |
| C2' | O2' | C21 | 104.9° | 106.8° |
| C4' | C3' | HC3' | 121.6° | 120.0° |
| C3' | C4' | C5' | 119.3° | 120.0° |
| C3' | C4' | HC4' | 120.1° | 120.0° |
| C5' | C4' | HC4' | 120.7° | 120.0° |
| C4' | C5' | C6' | 123.7° | 120.0° |
| C4' | C5' | O5' | 107.4° | 120.0° |
| C6' | C5' | O5' | 128.8° | 120.0° |
| C5' | C6' | HC6' | 118.5° | 120.0° |
| C5' | O5' | C51 | 109.0° | 106.8° |
| O2' | C21 | HC21 | 104.8° | 109.5° |
| O2' | C21 | HC22 | 113.9° | 109.4° |
| O2' | C21 | HC23 | 113.9° | 109.5° |
| HC21 | C21 | HC22 | 114.0° | 109.5° |
| HC21 | C21 | HC23 | 114.0° | 109.5° |
| HC22 | C21 | HC23 | 96.6° | 109.4° |
| O5' | C51 | HC51 | 109.1° | 109.4° |
| O5' | C51 | HC52 | 112.4° | 109.4° |
| O5' | C51 | HC53 | 112.4° | 109.6° |
| HC51 | C51 | HC52 | 112.4° | 109.4° |
| HC51 | C51 | HC53 | 112.4° | 109.5° |
| HC52 | C51 | HC53 | 98.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8A | C4A | C5B | C4B | 178.8° | 179.8° |
| C4A | C8A | N1' | N8' | 179.8° | 179.9° |
| C4A | C8A | N1' | C2B | 1.8° | 0.1° |
| C4A | C8A | N8' | C7B | 0.2° | 0.1° |
| C8A | C4A | C5B | C6B | 2.3° | 0.5° |
| C8A | C4A | C5B | H5' | 177.7° | 179.8° |
| C8A | C4A | C4B | N4' | 178.5° | 180.0° |
| C8A | C4A | C4B | N3' | 1.5° | 0.0° |
| C5B | C4A | C8A | N1' | 179.0° | 179.7° |
| C5B | C4A | C8A | N8' | 1.2° | 0.2° |
| C4A | C5B | C6B | C7B | 2.0° | 0.5° |
| C4A | C5B | C6B | N6' | 178.7° | 179.8° |
| C4A | C5B | C6B | H5' | 180.0° | 179.7° |
| C5B | C4A | C4B | N4' | 0.2° | 0.3° |
| C5B | C4A | C4B | N3' | 177.3° | 179.7° |
| C4B | C4A | C8A | N1' | 0.1° | 0.1° |
| C4B | C4A | C8A | N8' | 180.0° | 179.9° |
| C4B | C4A | C5B | C6B | 178.9° | 179.8° |
| C4B | C4A | C5B | H5' | 1.1° | 0.0° |
| C4A | C4B | N4' | N3' | 177.1° | 180.0° |
| C4A | C4B | N4' | HN41 | 179.9° | 180.0° |
| C4A | C4B | N4' | HN42 | 54.7° | 0.1° |
| C4A | C4B | N3' | C2B | 1.9° | 0.0° |
| N1' | C8A | N8' | C7B | 179.6° | 180.0° |
| C8A | N1' | C2B | N3' | 1.5° | 0.1° |
| C8A | N1' | C2B | N2' | 179.3° | 180.0° |
| N8' | C8A | N1' | C2B | 178.4° | 180.0° |
| C8A | N8' | C7B | C6B | 0.6° | 0.1° |
| C8A | N8' | C7B | H7' | 179.4° | 179.9° |
| N1' | C2B | N3' | C4B | 0.4° | 0.1° |
| N1' | C2B | N3' | N2' | 177.7° | 179.9° |
| N1' | C2B | N2' | HN21 | 180.0° | 180.0° |
| N1' | C2B | N2' | HN22 | 54.8° | 0.1° |
| N8' | C7B | C6B | H7' | 180.0° | 180.0° |
| N8' | C7B | C6B | N6' | 179.7° | 179.9° |
| N8' | C7B | C6B | C5B | 0.5° | 0.2° |
| C7B | C6B | N6' | C5B | 179.2° | 179.7° |
| C7B | C6B | N6' | C61 | 147.9° | 180.0° |
| C7B | C6B | N6' | C7' | 7.0° | 0.0° |
| C7B | C6B | C5B | H5' | 178.0° | 179.8° |
| H7' | C7B | C6B | N6' | 0.4° | 0.0° |
| H7' | C7B | C6B | C5B | 179.5° | 179.7° |
| C6B | N6' | C61 | C7' | 157.8° | 180.0° |
| C6B | N6' | C61 | HC61 | 180.0° | 180.0° |
| C6B | N6' | C61 | HC62 | 54.7° | 60.0° |
| C6B | N6' | C61 | HC63 | 54.7° | 60.0° |
| N6' | C6B | C5B | H5' | 1.3° | 0.0° |
| C6B | N6' | C7' | C1' | 49.9° | 90.0° |
| C6B | N6' | C7' | HC71 | 175.2° | 150.0° |
| C6B | N6' | C7' | HC72 | 75.4° | 30.1° |
| C5B | C6B | N6' | C61 | 31.3° | 0.3° |
| C5B | C6B | N6' | C7' | 173.8° | 179.7° |
| N6' | C61 | HC61 | HC62 | 125.3° | 120.0° |
| N6' | C61 | HC61 | HC63 | 125.2° | 120.0° |
| N6' | C61 | HC62 | HC63 | 115.8° | 120.1° |
| C61 | N6' | C7' | C1' | 105.2° | 90.0° |
| C61 | N6' | C7' | HC71 | 20.1° | 30.1° |
| C61 | N6' | C7' | HC72 | 129.5° | 149.9° |
| C7' | N6' | C61 | HC61 | 22.3° | 0.0° |
| C7' | N6' | C61 | HC62 | 103.1° | 120.0° |
| C7' | N6' | C61 | HC63 | 147.5° | 120.0° |
| N6' | C7' | C1' | HC71 | 125.3° | 119.9° |
| N6' | C7' | C1' | HC72 | 125.3° | 120.0° |
| N6' | C7' | HC71 | HC72 | 112.5° | 119.9° |
| N6' | C7' | C1' | C2' | 131.6° | 179.9° |
| N6' | C7' | C1' | C6' | 50.0° | 0.3° |
| HC61 | C61 | HC62 | HC63 | 115.8° | 119.9° |
| C4B | N4' | HN41 | HN42 | 125.4° | 180.0° |
| N4' | C4B | N3' | C2B | 179.3° | 180.0° |
| N3' | C4B | N4' | HN41 | 3.0° | 0.0° |
| N3' | C4B | N4' | HN42 | 122.4° | 180.0° |
| C4B | N3' | C2B | N2' | 177.3° | 179.9° |
| N3' | C2B | N2' | HN21 | 2.5° | 0.1° |
| N3' | C2B | N2' | HN22 | 122.8° | 179.9° |
| C2B | N2' | HN21 | HN22 | 125.2° | 179.9° |
| C1' | C7' | HC71 | HC72 | 112.6° | 120.1° |
| C7' | C1' | C2' | C6' | 178.5° | 179.8° |
| C7' | C1' | C2' | C3' | 179.9° | 179.9° |
| C7' | C1' | C2' | O2' | 1.7° | 0.0° |
| C7' | C1' | C6' | C5' | 179.9° | 179.8° |
| C7' | C1' | C6' | HC6' | 0.2° | 0.3° |
| HC71 | C7' | C1' | C2' | 103.1° | 60.0° |
| HC71 | C7' | C1' | C6' | 75.3° | 120.2° |
| HC72 | C7' | C1' | C2' | 6.3° | 60.1° |
| HC72 | C7' | C1' | C6' | 175.3° | 119.7° |
| C1' | C2' | C3' | O2' | 178.4° | 179.9° |
| C1' | C2' | C3' | C4' | 1.0° | 0.1° |
| C1' | C2' | C3' | HC3' | 179.1° | 180.0° |
| C2' | C1' | C6' | C5' | 1.5° | 0.5° |
| C2' | C1' | C6' | HC6' | 178.5° | 180.0° |
| C1' | C2' | O2' | C21 | 128.5° | 179.9° |
| C6' | C1' | C2' | C3' | 1.4° | 0.1° |
| C6' | C1' | C2' | O2' | 179.8° | 179.7° |
| C1' | C6' | C5' | C4' | 1.4° | 0.5° |
| C1' | C6' | C5' | HC6' | 179.9° | 179.5° |
| C1' | C6' | C5' | O5' | 178.5° | 179.7° |
| C2' | C3' | C4' | HC3' | 180.0° | 179.9° |
| C2' | C3' | C4' | C5' | 0.7° | 0.1° |
| C2' | C3' | C4' | HC4' | 179.3° | 179.9° |
| C3' | C2' | O2' | C21 | 53.0° | 0.0° |
| O2' | C2' | C3' | C4' | 179.4° | 180.0° |
| O2' | C2' | C3' | HC3' | 0.6° | 0.1° |
| C2' | O2' | C21 | HC21 | 180.0° | 180.0° |
| C2' | O2' | C21 | HC22 | 54.8° | 60.0° |
| C2' | O2' | C21 | HC23 | 54.7° | 59.9° |
| C3' | C4' | C5' | HC4' | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 1.0° | 0.2° |
| C3' | C4' | C5' | O5' | 178.7° | 180.0° |
| HC3' | C3' | C4' | C5' | 179.3° | 180.0° |
| HC3' | C3' | C4' | HC4' | 0.7° | 0.0° |
| C4' | C5' | C6' | O5' | 177.1° | 179.8° |
| C4' | C5' | C6' | HC6' | 178.7° | 180.0° |
| C4' | C5' | O5' | C51 | 159.5° | 0.0° |
| HC4' | C4' | C5' | C6' | 179.0° | 179.8° |
| HC4' | C4' | C5' | O5' | 1.4° | 0.0° |
| C6' | C5' | O5' | C51 | 18.0° | 179.8° |
| O5' | C5' | C6' | HC6' | 1.5° | 0.2° |
| C5' | O5' | C51 | HC51 | 180.0° | 180.0° |
| C5' | O5' | C51 | HC52 | 54.7° | 60.1° |
| C5' | O5' | C51 | HC53 | 54.7° | 60.0° |
| O2' | C21 | HC21 | HC22 | 125.2° | 120.0° |
| O2' | C21 | HC21 | HC23 | 125.2° | 120.1° |
| O2' | C21 | HC22 | HC23 | 119.8° | 120.0° |
| HC21 | C21 | HC22 | HC23 | 119.9° | 120.0° |
| O5' | C51 | HC51 | HC52 | 125.3° | 119.9° |
| O5' | C51 | HC51 | HC53 | 125.3° | 120.1° |
| O5' | C51 | HC52 | HC53 | 118.3° | 120.1° |
| HC51 | C51 | HC52 | HC53 | 118.3° | 120.0° |
