YUG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR3 | C4' | sing | 1.89Å | 1.92Å | |
| C4' | C5' | doub | 1.38Å | 1.49Å | Aromatic |
| C4' | C3' | sing | 1.38Å | 1.47Å | Aromatic |
| C5' | C6' | sing | 1.38Å | 1.48Å | Aromatic |
| C3' | C2' | doub | 1.38Å | 1.47Å | Aromatic |
| C6' | C1' | doub | 1.39Å | 1.48Å | Aromatic |
| C2' | C1' | sing | 1.39Å | 1.47Å | Aromatic |
| C2' | BR1 | sing | 1.89Å | 1.91Å | |
| C1' | O | sing | 1.36Å | 1.37Å | |
| C6 | C5 | doub | 1.38Å | 1.48Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.50Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.48Å | Aromatic |
| O | C1 | sing | 1.36Å | 1.39Å | |
| C1 | C2 | doub | 1.39Å | 1.48Å | Aromatic |
| C4 | BR4 | sing | 1.89Å | 1.93Å | |
| C4 | C3 | doub | 1.39Å | 1.47Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.47Å | Aromatic |
| C2 | BR2 | sing | 1.89Å | 1.93Å | |
| C3 | O3 | sing | 1.36Å | 1.37Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C3' | H4 | sing | 1.08Å | 1.08Å | |
| C5' | H5 | sing | 1.08Å | 1.08Å | |
| C6' | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR3 | C4' | C5' | 120.8° | 120.0° |
| BR3 | C4' | C3' | 117.0° | 120.0° |
| C5' | C4' | C3' | 122.2° | 120.0° |
| C4' | C5' | C6' | 121.2° | 120.1° |
| C4' | C5' | H5 | 119.4° | 119.9° |
| C4' | C3' | C2' | 115.5° | 120.1° |
| C4' | C3' | H4 | 122.2° | 120.0° |
| C5' | C6' | C1' | 116.7° | 119.9° |
| C6' | C5' | H5 | 119.4° | 120.0° |
| C5' | C6' | H6 | 121.6° | 120.0° |
| C3' | C2' | C1' | 123.6° | 120.0° |
| C3' | C2' | BR1 | 121.2° | 120.0° |
| C2' | C3' | H4 | 122.3° | 120.0° |
| C6' | C1' | C2' | 120.7° | 119.9° |
| C6' | C1' | O | 122.7° | 120.0° |
| C1' | C6' | H6 | 121.6° | 120.0° |
| C1' | C2' | BR1 | 115.1° | 120.0° |
| C2' | C1' | O | 116.6° | 120.1° |
| C1' | O | C1 | 113.4° | 118.0° |
| C5 | C6 | C1 | 119.2° | 120.0° |
| C6 | C5 | C4 | 120.3° | 120.1° |
| C6 | C5 | H2 | 119.9° | 119.9° |
| C5 | C6 | H3 | 120.4° | 119.9° |
| C6 | C1 | O | 124.4° | 120.0° |
| C6 | C1 | C2 | 119.0° | 120.0° |
| C1 | C6 | H3 | 120.4° | 120.0° |
| C5 | C4 | BR4 | 123.0° | 120.0° |
| C5 | C4 | C3 | 120.6° | 120.1° |
| C4 | C5 | H2 | 119.8° | 119.9° |
| O | C1 | C2 | 116.6° | 120.0° |
| C1 | C2 | C3 | 121.8° | 119.8° |
| C1 | C2 | BR2 | 121.0° | 120.1° |
| BR4 | C4 | C3 | 116.4° | 120.0° |
| C4 | C3 | C2 | 119.1° | 119.9° |
| C4 | C3 | O3 | 120.7° | 120.1° |
| C3 | C2 | BR2 | 117.2° | 120.1° |
| C2 | C3 | O3 | 120.3° | 120.0° |
| C3 | O3 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR3 | C4' | C5' | C3' | 179.9° | 180.0° |
| BR3 | C4' | C5' | C6' | 179.6° | 179.7° |
| BR3 | C4' | C3' | C2' | 179.9° | 180.0° |
| BR3 | C4' | C3' | H4 | 0.1° | 0.0° |
| BR3 | C4' | C5' | H5 | 0.4° | 0.0° |
| C4' | C5' | C6' | H5 | 180.0° | 179.7° |
| C5' | C4' | C3' | C2' | 0.2° | 0.0° |
| C4' | C5' | C6' | C1' | 1.4° | 0.6° |
| C5' | C4' | C3' | H4 | 179.8° | 180.0° |
| C4' | C5' | C6' | H6 | 178.6° | 180.0° |
| C3' | C4' | C5' | C6' | 0.5° | 0.3° |
| C4' | C3' | C2' | H4 | 180.0° | 179.9° |
| C4' | C3' | C2' | C1' | 0.9° | 0.0° |
| C4' | C3' | C2' | BR1 | 179.8° | 180.0° |
| C3' | C4' | C5' | H5 | 179.5° | 180.0° |
| C5' | C6' | C1' | H6 | 180.0° | 179.4° |
| C5' | C6' | C1' | C2' | 2.1° | 0.5° |
| C5' | C6' | C1' | O | 180.0° | 179.7° |
| C3' | C2' | C1' | C6' | 1.9° | 0.2° |
| C3' | C2' | C1' | BR1 | 179.0° | 180.0° |
| C3' | C2' | C1' | O | 179.9° | 179.9° |
| C6' | C1' | C2' | O | 178.0° | 179.7° |
| C6' | C1' | C2' | BR1 | 179.1° | 179.7° |
| C6' | C1' | O | C1 | 101.3° | 94.1° |
| C1' | C6' | C5' | H5 | 178.6° | 179.7° |
| C2' | C1' | O | C1 | 80.8° | 86.2° |
| C1' | C2' | C3' | H4 | 179.1° | 180.0° |
| C2' | C1' | C6' | H6 | 177.9° | 180.0° |
| BR1 | C2' | C1' | O | 1.1° | 0.0° |
| BR1 | C2' | C3' | H4 | 0.2° | 0.0° |
| C1' | O | C1 | C6 | 7.7° | 5.3° |
| C1' | O | C1 | C2 | 172.8° | 174.4° |
| O | C1' | C6' | H6 | 0.0° | 0.3° |
| C5 | C6 | C1 | H3 | 180.0° | 179.5° |
| C6 | C5 | C4 | H2 | 180.0° | 179.7° |
| C5 | C6 | C1 | O | 179.7° | 179.8° |
| C5 | C6 | C1 | C2 | 0.2° | 0.5° |
| C6 | C5 | C4 | BR4 | 178.1° | 179.7° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C1 | C6 | C5 | C4 | 0.2° | 0.6° |
| C6 | C1 | O | C2 | 179.5° | 179.7° |
| C6 | C1 | C2 | C3 | 0.1° | 0.3° |
| C6 | C1 | C2 | BR2 | 178.5° | 179.8° |
| C1 | C6 | C5 | H2 | 179.8° | 179.7° |
| C5 | C4 | BR4 | C3 | 178.1° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C5 | C4 | C3 | O3 | 178.6° | 180.0° |
| C4 | C5 | C6 | H3 | 179.8° | 180.0° |
| O | C1 | C2 | C3 | 179.6° | 180.0° |
| O | C1 | C2 | BR2 | 2.0° | 0.1° |
| O | C1 | C6 | H3 | 0.3° | 0.3° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | BR2 | 178.4° | 179.9° |
| C1 | C2 | C3 | O3 | 178.6° | 180.0° |
| C2 | C1 | C6 | H3 | 179.8° | 180.0° |
| BR4 | C4 | C3 | C2 | 178.1° | 180.0° |
| BR4 | C4 | C3 | O3 | 3.3° | 0.0° |
| BR4 | C4 | C5 | H2 | 1.9° | 0.0° |
| C4 | C3 | C2 | O3 | 178.6° | 180.0° |
| C4 | C3 | C2 | BR2 | 178.4° | 179.9° |
| C4 | C3 | O3 | H1 | 180.0° | 90.0° |
| C3 | C4 | C5 | H2 | 179.9° | 180.0° |
| C2 | C3 | O3 | H1 | 1.4° | 90.0° |
| BR2 | C2 | C3 | O3 | 3.0° | 0.1° |
| H2 | C5 | C6 | H3 | 0.2° | 0.3° |
| H5 | C5' | C6' | H6 | 1.4° | 0.3° |
