OLU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6' | C4' | doub | 1.22Å | 1.23Å | |
| C4' | N3' | sing | 1.31Å | 1.33Å | |
| C4' | C5' | sing | 1.52Å | 1.50Å | |
| N3' | C2' | doub | 1.33Å | 1.34Å | |
| C2' | S1' | sing | 1.79Å | 1.64Å | |
| C2' | C2 | sing | 1.47Å | 1.49Å | |
| S1' | C5' | sing | 1.84Å | 1.81Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C2 | S1 | sing | 1.79Å | 1.71Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| S1 | C5 | sing | 1.78Å | 1.65Å | Aromatic |
| C5 | C6 | sing | 1.37Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.42Å | 1.48Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | N3 | sing | 1.34Å | 1.34Å | Aromatic |
| C4 | C9 | sing | 1.42Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | O7 | sing | 1.36Å | 1.37Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6' | C4' | N3' | 126.3° | 122.4° |
| O6' | C4' | C5' | 121.3° | 122.4° |
| N3' | C4' | C5' | 112.4° | 115.3° |
| C4' | N3' | C2' | 113.3° | 124.4° |
| C4' | C5' | S1' | 106.1° | 99.4° |
| C4' | C5' | H5'1 | 111.4° | 111.4° |
| C4' | C5' | H5'2 | 110.6° | 111.4° |
| N3' | C2' | S1' | 118.3° | 103.7° |
| N3' | C2' | C2 | 122.3° | 128.1° |
| S1' | C2' | C2 | 119.3° | 128.1° |
| C2' | S1' | C5' | 89.9° | 97.2° |
| C2' | C2 | S1 | 116.6° | 128.9° |
| C2' | C2 | N3 | 127.5° | 128.9° |
| S1' | C5' | H5'1 | 111.4° | 111.6° |
| S1' | C5' | H5'2 | 110.6° | 111.2° |
| H5'1 | C5' | H5'2 | 106.9° | 111.2° |
| S1 | C2 | N3 | 115.8° | 102.3° |
| C2 | S1 | C5 | 87.5° | 97.1° |
| C2 | N3 | C4 | 114.2° | 122.8° |
| S1 | C5 | C6 | 126.6° | 135.3° |
| S1 | C5 | C4 | 115.6° | 102.2° |
| C6 | C5 | C4 | 117.8° | 122.6° |
| C5 | C6 | C7 | 120.4° | 119.4° |
| C5 | C6 | H6 | 119.8° | 120.3° |
| C5 | C4 | N3 | 106.9° | 115.7° |
| C5 | C4 | C9 | 120.3° | 116.1° |
| C7 | C6 | H6 | 119.8° | 120.3° |
| C6 | C7 | C8 | 120.8° | 119.3° |
| C6 | C7 | O7 | 120.9° | 120.3° |
| N3 | C4 | C9 | 132.8° | 128.1° |
| C4 | C9 | C8 | 119.9° | 120.8° |
| C4 | C9 | H9 | 120.0° | 119.5° |
| C8 | C9 | H9 | 120.1° | 119.6° |
| C9 | C8 | C7 | 120.8° | 121.7° |
| C9 | C8 | H8 | 119.6° | 119.1° |
| C7 | C8 | H8 | 119.6° | 119.2° |
| C8 | C7 | O7 | 118.2° | 120.4° |
| C7 | O7 | HO7 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6' | C4' | N3' | C5' | 179.5° | 179.9° |
| O6' | C4' | N3' | C2' | 179.7° | 179.9° |
| O6' | C4' | C5' | S1' | 179.5° | 179.7° |
| O6' | C4' | C5' | H5'1 | 59.2° | 62.5° |
| O6' | C4' | C5' | H5'2 | 59.5° | 62.4° |
| C4' | N3' | C2' | S1' | 0.5° | 0.3° |
| C4' | N3' | C2' | C2 | 179.1° | 179.9° |
| N3' | C4' | C5' | S1' | 0.1° | 0.2° |
| N3' | C4' | C5' | H5'1 | 121.2° | 117.6° |
| N3' | C4' | C5' | H5'2 | 120.1° | 117.6° |
| C5' | C4' | N3' | C2' | 0.2° | 0.0° |
| C4' | C5' | S1' | C2' | 0.3° | 0.3° |
| C4' | C5' | S1' | H5'1 | 121.3° | 117.7° |
| C4' | C5' | S1' | H5'2 | 120.0° | 117.5° |
| C4' | C5' | H5'1 | H5'2 | 120.9° | 125.0° |
| N3' | C2' | S1' | C2 | 178.7° | 179.7° |
| N3' | C2' | S1' | C5' | 0.4° | 0.3° |
| N3' | C2' | C2 | S1 | 3.3° | 0.1° |
| N3' | C2' | C2 | N3 | 174.3° | 180.0° |
| C2' | S1' | C5' | H5'1 | 121.1° | 117.4° |
| C2' | S1' | C5' | H5'2 | 120.2° | 117.8° |
| S1' | C2' | C2 | S1 | 178.0° | 179.7° |
| S1' | C2' | C2 | N3 | 4.3° | 0.4° |
| C2 | C2' | S1' | C5' | 179.1° | 180.0° |
| C2' | C2 | S1 | N3 | 177.9° | 179.9° |
| C2' | C2 | S1 | C5 | 177.6° | 180.0° |
| C2' | C2 | N3 | C4 | 177.2° | 180.0° |
| S1' | C5' | H5'1 | H5'2 | 120.9° | 124.8° |
| C2 | S1 | C5 | C6 | 179.0° | 179.7° |
| C2 | S1 | C5 | C4 | 0.1° | 0.0° |
| S1 | C2 | N3 | C4 | 0.5° | 0.1° |
| N3 | C2 | S1 | C5 | 0.3° | 0.1° |
| C2 | N3 | C4 | C5 | 0.4° | 0.1° |
| C2 | N3 | C4 | C9 | 179.7° | 179.9° |
| S1 | C5 | C6 | C4 | 179.0° | 179.7° |
| S1 | C5 | C6 | C7 | 179.8° | 179.8° |
| S1 | C5 | C6 | H6 | 0.3° | 0.0° |
| S1 | C5 | C4 | N3 | 0.2° | 0.0° |
| S1 | C5 | C4 | C9 | 179.6° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C6 | C5 | C4 | N3 | 179.3° | 179.8° |
| C6 | C5 | C4 | C9 | 1.3° | 0.3° |
| C5 | C6 | C7 | C8 | 0.8° | 0.5° |
| C5 | C6 | C7 | O7 | 179.4° | 179.8° |
| C4 | C5 | C6 | C7 | 1.2° | 0.5° |
| C4 | C5 | C6 | H6 | 178.7° | 179.7° |
| C5 | C4 | N3 | C9 | 179.3° | 180.0° |
| C5 | C4 | C9 | C8 | 0.9° | 0.0° |
| C5 | C4 | C9 | H9 | 179.1° | 180.0° |
| C6 | C7 | C8 | C9 | 0.3° | 0.2° |
| C6 | C7 | C8 | O7 | 179.8° | 179.7° |
| C6 | C7 | C8 | H8 | 179.7° | 179.8° |
| C6 | C7 | O7 | HO7 | 117.7° | 90.3° |
| H6 | C6 | C7 | C8 | 179.2° | 179.7° |
| H6 | C6 | C7 | O7 | 0.6° | 0.0° |
| N3 | C4 | C9 | C8 | 179.9° | 179.9° |
| N3 | C4 | C9 | H9 | 0.1° | 0.0° |
| C4 | C9 | C8 | H9 | 180.0° | 179.9° |
| C4 | C9 | C8 | C7 | 0.4° | 0.0° |
| C4 | C9 | C8 | H8 | 179.6° | 180.0° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | O7 | 179.8° | 180.0° |
| H9 | C9 | C8 | C7 | 179.6° | 180.0° |
| H9 | C9 | C8 | H8 | 0.4° | 0.0° |
| C8 | C7 | O7 | HO7 | 62.5° | 90.0° |
| H8 | C8 | C7 | O7 | 0.2° | 0.1° |
