ST3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C' | O1' | doub | 1.21Å | 1.25Å | |
| C' | O2' | sing | 1.35Å | 1.25Å | |
| C' | C1 | sing | 1.47Å | 1.39Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | N3 | sing | 1.40Å | 1.37Å | |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| N3 | HN31 | sing | 0.97Å | 0.98Å | |
| N3 | HN32 | sing | 0.97Å | 0.98Å | |
| C4 | N4 | sing | 1.40Å | 1.40Å | |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| N4 | C4' | sing | 1.35Å | 1.34Å | |
| N4 | HN4 | sing | 0.97Å | 0.97Å | |
| C4' | O4' | doub | 1.21Å | 1.23Å | |
| C4' | CM4 | sing | 1.51Å | 1.53Å | |
| CM4 | HM41 | sing | 1.09Å | 1.11Å | |
| CM4 | HM42 | sing | 1.09Å | 1.12Å | |
| CM4 | HM43 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1' | C' | O2' | 123.7° | 120.0° |
| O1' | C' | C1 | 118.1° | 120.1° |
| O2' | C' | C1 | 118.0° | 120.0° |
| C' | O2' | HO2' | 123.7° | 120.0° |
| C' | C1 | C2 | 119.7° | 120.1° |
| C' | C1 | C6 | 121.7° | 120.1° |
| C2 | C1 | C6 | 118.6° | 119.8° |
| C1 | C2 | C3 | 121.2° | 119.9° |
| C1 | C2 | H2 | 119.9° | 120.0° |
| C1 | C6 | C5 | 120.8° | 120.1° |
| C1 | C6 | H6 | 120.0° | 120.0° |
| C3 | C2 | H2 | 118.9° | 120.1° |
| C2 | C3 | N3 | 119.1° | 120.1° |
| C2 | C3 | C4 | 120.2° | 119.9° |
| N3 | C3 | C4 | 120.7° | 120.0° |
| C3 | N3 | HN31 | 118.1° | 120.0° |
| C3 | N3 | HN32 | 117.9° | 120.0° |
| C3 | C4 | N4 | 120.7° | 120.0° |
| C3 | C4 | C5 | 118.8° | 120.1° |
| HN31 | N3 | HN32 | 124.0° | 120.0° |
| N4 | C4 | C5 | 120.5° | 120.0° |
| C4 | N4 | C4' | 110.5° | 120.1° |
| C4 | N4 | HN4 | 124.9° | 120.0° |
| C4 | C5 | C6 | 120.4° | 120.2° |
| C4 | C5 | H5 | 119.9° | 119.8° |
| C4' | N4 | HN4 | 124.5° | 119.9° |
| N4 | C4' | O4' | 121.6° | 119.9° |
| N4 | C4' | CM4 | 119.7° | 120.1° |
| O4' | C4' | CM4 | 118.7° | 120.0° |
| C4' | CM4 | HM41 | 119.7° | 109.5° |
| C4' | CM4 | HM42 | 108.6° | 109.4° |
| C4' | CM4 | HM43 | 108.6° | 109.4° |
| HM41 | CM4 | HM42 | 108.5° | 109.5° |
| HM41 | CM4 | HM43 | 108.5° | 109.5° |
| HM42 | CM4 | HM43 | 101.4° | 109.4° |
| C6 | C5 | H5 | 119.7° | 120.0° |
| C5 | C6 | H6 | 119.2° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1' | C' | O2' | C1 | 176.4° | 179.8° |
| O1' | C' | O2' | HO2' | 179.9° | 0.1° |
| O1' | C' | C1 | C2 | 71.9° | 0.1° |
| O1' | C' | C1 | C6 | 105.1° | 180.0° |
| O2' | C' | C1 | C2 | 104.7° | 179.9° |
| O2' | C' | C1 | C6 | 78.3° | 0.1° |
| C1 | C' | O2' | HO2' | 3.7° | 179.9° |
| C' | C1 | C2 | C6 | 177.1° | 179.9° |
| C' | C1 | C2 | C3 | 176.5° | 179.8° |
| C' | C1 | C2 | H2 | 3.5° | 0.1° |
| C' | C1 | C6 | C5 | 176.1° | 180.0° |
| C' | C1 | C6 | H6 | 3.9° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C1 | C2 | C3 | N3 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.5° |
| C2 | C1 | C6 | C5 | 1.0° | 0.0° |
| C2 | C1 | C6 | H6 | 179.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.6° | 0.2° |
| C6 | C1 | C2 | H2 | 179.4° | 180.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.3° | 179.9° |
| C2 | C3 | N3 | C4 | 179.7° | 179.6° |
| C2 | C3 | N3 | HN31 | 0.7° | 0.1° |
| C2 | C3 | N3 | HN32 | 179.0° | 179.9° |
| C2 | C3 | C4 | N4 | 178.7° | 179.8° |
| C2 | C3 | C4 | C5 | 0.4° | 0.6° |
| H2 | C2 | C3 | N3 | 0.4° | 0.2° |
| H2 | C2 | C3 | C4 | 180.0° | 179.7° |
| C3 | N3 | HN31 | HN32 | 179.7° | 179.9° |
| N3 | C3 | C4 | N4 | 1.0° | 0.2° |
| N3 | C3 | C4 | C5 | 179.3° | 179.9° |
| C4 | C3 | N3 | HN31 | 179.7° | 179.4° |
| C4 | C3 | N3 | HN32 | 0.6° | 0.5° |
| C3 | C4 | N4 | C5 | 178.3° | 179.7° |
| C3 | C4 | N4 | C4' | 71.6° | 150.3° |
| C3 | C4 | N4 | HN4 | 104.3° | 29.7° |
| C3 | C4 | C5 | C6 | 0.0° | 0.4° |
| C3 | C4 | C5 | H5 | 180.0° | 179.8° |
| C4 | N4 | C4' | HN4 | 175.9° | 179.9° |
| C4 | N4 | C4' | O4' | 80.5° | 6.0° |
| C4 | N4 | C4' | CM4 | 99.6° | 174.0° |
| N4 | C4 | C5 | C6 | 178.4° | 180.0° |
| N4 | C4 | C5 | H5 | 1.7° | 0.1° |
| C5 | C4 | N4 | C4' | 106.7° | 30.0° |
| C5 | C4 | N4 | HN4 | 77.4° | 149.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.4° | 179.9° |
| N4 | C4' | O4' | CM4 | 179.9° | 180.0° |
| N4 | C4' | CM4 | HM41 | 180.0° | 180.0° |
| N4 | C4' | CM4 | HM42 | 54.7° | 59.9° |
| N4 | C4' | CM4 | HM43 | 54.7° | 60.0° |
| HN4 | N4 | C4' | O4' | 95.5° | 174.0° |
| HN4 | N4 | C4' | CM4 | 84.5° | 5.9° |
| O4' | C4' | CM4 | HM41 | 0.1° | 0.1° |
| O4' | C4' | CM4 | HM42 | 125.4° | 120.0° |
| O4' | C4' | CM4 | HM43 | 125.2° | 120.0° |
| C4' | CM4 | HM41 | HM42 | 125.3° | 120.0° |
| C4' | CM4 | HM41 | HM43 | 125.3° | 120.0° |
| C4' | CM4 | HM42 | HM43 | 114.3° | 119.9° |
| HM41 | CM4 | HM42 | HM43 | 114.1° | 120.0° |
| H5 | C5 | C6 | H6 | 0.6° | 0.1° |
