1UE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | C5 | sing | 1.39Å | 1.32Å | Aromatic |
| C9 | C1' | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | N4 | sing | 1.39Å | 1.32Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.34Å | Aromatic |
| N4 | C4 | sing | 1.37Å | 1.32Å | Aromatic |
| C1' | C6 | sing | 1.40Å | 1.35Å | Aromatic |
| C1' | S1 | sing | 1.76Å | 1.70Å | |
| C6 | C1 | sing | 1.47Å | 1.35Å | Aromatic |
| C4 | C1 | doub | 1.40Å | 1.34Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.34Å | |
| S1 | C2' | sing | 1.76Å | 1.65Å | |
| C1 | C2 | sing | 1.41Å | 1.34Å | |
| C3' | C2' | doub | 1.39Å | 1.38Å | Aromatic |
| C3' | C4' | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C3 | doub | 1.31Å | 1.33Å | |
| C2' | C7' | sing | 1.39Å | 1.38Å | Aromatic |
| C4' | C5' | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | O1 | doub | 1.22Å | 1.22Å | |
| C2 | N1 | sing | 1.35Å | 1.39Å | |
| C3 | N1 | sing | 1.36Å | 1.38Å | |
| C3 | N2 | sing | 1.37Å | 1.33Å | |
| C7' | C6' | doub | 1.38Å | 1.38Å | Aromatic |
| C5' | C6' | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C3' | H8 | sing | 1.08Å | 1.08Å | |
| C4' | H9 | sing | 1.08Å | 1.08Å | |
| C5' | H10 | sing | 1.08Å | 1.08Å | |
| C6' | H11 | sing | 1.08Å | 1.08Å | |
| C7' | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 117.7° | 120.6° |
| C8 | C7 | C5 | 120.4° | 120.2° |
| C7 | C8 | H2 | 121.2° | 119.7° |
| C8 | C7 | H3 | 119.8° | 119.9° |
| C8 | C9 | C1' | 120.0° | 120.2° |
| C8 | C9 | H1 | 120.0° | 119.9° |
| C9 | C8 | H2 | 121.1° | 119.7° |
| C7 | C5 | N4 | 127.9° | 132.5° |
| C7 | C5 | C6 | 123.3° | 119.3° |
| C5 | C7 | H3 | 119.8° | 119.9° |
| C9 | C1' | C6 | 120.5° | 119.6° |
| C9 | C1' | S1 | 113.9° | 120.2° |
| C1' | C9 | H1 | 120.0° | 120.0° |
| N4 | C5 | C6 | 108.8° | 108.2° |
| C5 | N4 | C4 | 108.6° | 110.5° |
| C5 | N4 | H4 | 125.7° | 124.7° |
| C5 | C6 | C1' | 118.1° | 120.0° |
| C5 | C6 | C1 | 106.6° | 106.2° |
| N4 | C4 | C1 | 108.6° | 108.5° |
| N4 | C4 | N3 | 128.5° | 132.5° |
| C4 | N4 | H4 | 125.7° | 124.8° |
| C6 | C1' | S1 | 125.6° | 120.2° |
| C1' | C6 | C1 | 135.3° | 133.8° |
| C1' | S1 | C2' | 103.4° | 103.0° |
| C6 | C1 | C4 | 107.4° | 106.7° |
| C6 | C1 | C2 | 134.9° | 134.1° |
| C1 | C4 | N3 | 122.9° | 119.0° |
| C4 | C1 | C2 | 117.7° | 119.2° |
| C4 | N3 | C3 | 121.0° | 121.3° |
| S1 | C2' | C3' | 120.2° | 120.1° |
| S1 | C2' | C7' | 119.1° | 120.1° |
| C1 | C2 | O1 | 123.1° | 120.9° |
| C1 | C2 | N1 | 120.9° | 118.4° |
| C2' | C3' | C4' | 119.8° | 119.9° |
| C3' | C2' | C7' | 120.7° | 119.9° |
| C2' | C3' | H8 | 120.1° | 120.1° |
| C3' | C4' | C5' | 119.5° | 120.1° |
| C4' | C3' | H8 | 120.1° | 120.1° |
| C3' | C4' | H9 | 120.2° | 120.0° |
| N3 | C3 | N1 | 118.5° | 122.0° |
| N3 | C3 | N2 | 120.7° | 119.0° |
| C2' | C7' | C6' | 119.6° | 119.9° |
| C2' | C7' | H12 | 120.2° | 120.0° |
| C4' | C5' | C6' | 120.8° | 120.1° |
| C5' | C4' | H9 | 120.2° | 119.9° |
| C4' | C5' | H10 | 119.6° | 119.9° |
| O1 | C2 | N1 | 115.9° | 120.8° |
| C2 | N1 | C3 | 119.0° | 120.1° |
| C2 | N1 | H7 | 120.5° | 120.0° |
| N1 | C3 | N2 | 120.9° | 119.0° |
| C3 | N1 | H7 | 120.5° | 119.9° |
| C3 | N2 | H5 | 120.0° | 120.0° |
| C3 | N2 | H6 | 120.0° | 120.0° |
| C7' | C6' | C5' | 119.6° | 120.1° |
| C7' | C6' | H11 | 120.2° | 119.9° |
| C6' | C7' | H12 | 120.2° | 120.1° |
| C6' | C5' | H10 | 119.6° | 119.9° |
| C5' | C6' | H11 | 120.2° | 120.0° |
| H5 | N2 | H6 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H2 | 180.0° | 180.0° |
| C8 | C7 | C5 | H3 | 180.0° | 180.0° |
| C7 | C8 | C9 | C1' | 0.2° | 0.0° |
| C8 | C7 | C5 | N4 | 179.8° | 180.0° |
| C8 | C7 | C5 | C6 | 0.5° | 0.0° |
| C7 | C8 | C9 | H1 | 179.8° | 180.0° |
| C9 | C8 | C7 | C5 | 0.3° | 0.0° |
| C8 | C9 | C1' | H1 | 180.0° | 179.9° |
| C8 | C9 | C1' | C6 | 0.7° | 0.0° |
| C8 | C9 | C1' | S1 | 179.3° | 180.0° |
| C9 | C8 | C7 | H3 | 179.7° | 179.9° |
| C7 | C5 | N4 | C6 | 179.8° | 180.0° |
| C7 | C5 | N4 | C4 | 179.9° | 180.0° |
| C7 | C5 | C6 | C1' | 0.0° | 0.0° |
| C7 | C5 | C6 | C1 | 179.9° | 180.0° |
| C5 | C7 | C8 | H2 | 179.6° | 180.0° |
| C7 | C5 | N4 | H4 | 0.2° | 0.0° |
| C9 | C1' | C6 | C5 | 0.6° | 0.0° |
| C9 | C1' | C6 | S1 | 178.4° | 180.0° |
| C9 | C1' | C6 | C1 | 179.3° | 180.0° |
| C9 | C1' | S1 | C2' | 108.5° | 5.5° |
| C1' | C9 | C8 | H2 | 179.8° | 180.0° |
| C5 | N4 | C4 | H4 | 180.0° | 180.0° |
| N4 | C5 | C6 | C1' | 179.8° | 180.0° |
| N4 | C5 | C6 | C1 | 0.3° | 0.0° |
| C5 | N4 | C4 | C1 | 0.2° | 0.0° |
| C5 | N4 | C4 | N3 | 179.9° | 179.9° |
| N4 | C5 | C7 | H3 | 0.2° | 0.0° |
| C6 | C5 | N4 | C4 | 0.1° | 0.0° |
| C5 | C6 | C1' | C1 | 179.9° | 180.0° |
| C5 | C6 | C1' | S1 | 179.0° | 180.0° |
| C5 | C6 | C1 | C4 | 0.4° | 0.0° |
| C5 | C6 | C1 | C2 | 179.9° | 179.9° |
| C6 | C5 | C7 | H3 | 179.6° | 180.0° |
| C6 | C5 | N4 | H4 | 179.9° | 180.0° |
| N4 | C4 | C1 | C6 | 0.4° | 0.0° |
| N4 | C4 | C1 | N3 | 179.8° | 180.0° |
| N4 | C4 | C1 | C2 | 179.9° | 179.9° |
| N4 | C4 | N3 | C3 | 179.7° | 179.7° |
| C1' | C6 | C1 | C4 | 179.7° | 180.0° |
| C6 | C1' | S1 | C2' | 73.1° | 174.5° |
| C1' | C6 | C1 | C2 | 0.0° | 0.1° |
| C6 | C1' | C9 | H1 | 179.3° | 180.0° |
| S1 | C1' | C6 | C1 | 0.9° | 0.0° |
| C1' | S1 | C2' | C3' | 38.8° | 95.1° |
| C1' | S1 | C2' | C7' | 141.9° | 85.1° |
| S1 | C1' | C9 | H1 | 0.7° | 0.0° |
| C6 | C1 | C4 | C2 | 179.8° | 179.9° |
| C6 | C1 | C4 | N3 | 179.9° | 179.9° |
| C6 | C1 | C2 | O1 | 0.2° | 0.1° |
| C6 | C1 | C2 | N1 | 179.9° | 179.7° |
| C1 | C4 | N3 | C3 | 0.1° | 0.2° |
| C4 | C1 | C2 | O1 | 179.9° | 180.0° |
| C4 | C1 | C2 | N1 | 0.2° | 0.2° |
| C1 | C4 | N4 | H4 | 179.8° | 180.0° |
| N3 | C4 | C1 | C2 | 0.1° | 0.0° |
| C4 | N3 | C3 | N1 | 0.1° | 0.2° |
| C4 | N3 | C3 | N2 | 179.6° | 179.7° |
| N3 | C4 | N4 | H4 | 0.0° | 0.0° |
| S1 | C2' | C3' | C7' | 179.3° | 179.8° |
| S1 | C2' | C3' | C4' | 179.9° | 180.0° |
| S1 | C2' | C7' | C6' | 179.8° | 179.7° |
| S1 | C2' | C3' | H8 | 0.1° | 0.0° |
| S1 | C2' | C7' | H12 | 0.2° | 0.1° |
| C1 | C2 | O1 | N1 | 179.9° | 179.8° |
| C1 | C2 | N1 | C3 | 0.2° | 0.2° |
| C1 | C2 | N1 | H7 | 179.8° | 179.8° |
| C2' | C3' | C4' | H8 | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 0.4° | 0.0° |
| C3' | C2' | C7' | C6' | 0.4° | 0.6° |
| C2' | C3' | C4' | H9 | 179.6° | 180.0° |
| C3' | C2' | C7' | H12 | 179.6° | 179.7° |
| C4' | C3' | C2' | C7' | 0.6° | 0.2° |
| C3' | C4' | C5' | H9 | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 0.2° | 0.1° |
| C3' | C4' | C5' | H10 | 179.9° | 180.0° |
| N3 | C3 | N1 | C2 | 0.1° | 0.0° |
| N3 | C3 | N1 | N2 | 179.6° | 179.9° |
| N3 | C3 | N2 | H5 | 0.0° | 180.0° |
| N3 | C3 | N2 | H6 | 180.0° | 0.1° |
| N3 | C3 | N1 | H7 | 180.0° | 180.0° |
| C2' | C7' | C6' | H12 | 180.0° | 179.7° |
| C2' | C7' | C6' | C5' | 0.2° | 0.6° |
| C7' | C2' | C3' | H8 | 179.5° | 179.7° |
| C2' | C7' | C6' | H11 | 179.8° | 179.8° |
| C4' | C5' | C6' | C7' | 0.0° | 0.4° |
| C4' | C5' | C6' | H10 | 180.0° | 179.9° |
| C5' | C4' | C3' | H8 | 179.6° | 180.0° |
| C4' | C5' | C6' | H11 | 180.0° | 180.0° |
| O1 | C2 | N1 | C3 | 179.9° | 180.0° |
| O1 | C2 | N1 | H7 | 0.1° | 0.0° |
| C2 | N1 | C3 | H7 | 180.0° | 180.0° |
| C2 | N1 | C3 | N2 | 179.5° | 179.9° |
| N1 | C3 | N2 | H5 | 179.6° | 0.1° |
| N1 | C3 | N2 | H6 | 0.5° | 180.0° |
| C3 | N2 | H5 | H6 | 180.0° | 179.9° |
| N2 | C3 | N1 | H7 | 0.5° | 0.1° |
| C7' | C6' | C5' | H11 | 180.0° | 179.6° |
| C7' | C6' | C5' | H10 | 180.0° | 179.7° |
| C6' | C5' | C4' | H9 | 179.8° | 179.9° |
| C5' | C6' | C7' | H12 | 179.8° | 179.7° |
| H1 | C9 | C8 | H2 | 0.2° | 0.0° |
| H2 | C8 | C7 | H3 | 0.3° | 0.0° |
| H8 | C3' | C4' | H9 | 0.4° | 0.0° |
| H9 | C4' | C5' | H10 | 0.2° | 0.1° |
| H10 | C5' | C6' | H11 | 0.0° | 0.1° |
| H11 | C6' | C7' | H12 | 0.2° | 0.0° |
