KVQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.47Å | |
| O4' | C4' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.53Å | 1.52Å | |
| C3' | C2' | sing | 1.53Å | 1.54Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| C2' | C1' | sing | 1.53Å | 1.55Å | |
| O6' | C6' | sing | 1.43Å | 1.44Å | |
| C5' | C6' | sing | 1.53Å | 1.54Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C1' | O5' | sing | 1.43Å | 1.44Å | |
| C1' | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | doub | 1.34Å | 1.33Å | Aromatic |
| C2 | S3 | sing | 1.76Å | 1.63Å | Aromatic |
| C1 | N5 | sing | 1.31Å | 1.34Å | Aromatic |
| S3 | C4 | sing | 1.76Å | 1.68Å | Aromatic |
| N5 | C4 | doub | 1.30Å | 1.35Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.35Å | |
| C6 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C1' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C6' | H9 | sing | 1.09Å | 1.10Å | |
| C6' | H10 | sing | 1.09Å | 1.10Å | |
| O6' | H11 | sing | 0.97Å | 0.95Å | |
| C4' | H12 | sing | 1.09Å | 1.10Å | |
| O4' | H13 | sing | 0.97Å | 0.95Å | |
| C3' | H14 | sing | 1.09Å | 1.10Å | |
| O3' | H15 | sing | 0.97Å | 0.95Å | |
| C2' | H16 | sing | 1.09Å | 1.10Å | |
| O2' | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 108.3° | 109.5° |
| O3' | C3' | C2' | 111.7° | 109.6° |
| O3' | C3' | H14 | 109.9° | 109.6° |
| C3' | O3' | H15 | 109.5° | 114.0° |
| O4' | C4' | C3' | 108.5° | 109.6° |
| O4' | C4' | C5' | 110.9° | 109.5° |
| O4' | C4' | H12 | 109.5° | 109.5° |
| C4' | O4' | H13 | 109.5° | 114.0° |
| C4' | C3' | C2' | 108.8° | 109.0° |
| C3' | C4' | C5' | 111.6° | 109.1° |
| C3' | C4' | H12 | 108.3° | 109.5° |
| C4' | C3' | H14 | 109.2° | 109.5° |
| C3' | C2' | O2' | 111.0° | 109.5° |
| C3' | C2' | C1' | 110.6° | 109.2° |
| C2' | C3' | H14 | 108.9° | 109.6° |
| C3' | C2' | H16 | 108.3° | 109.5° |
| C4' | C5' | C6' | 110.4° | 109.5° |
| C4' | C5' | O5' | 109.9° | 109.4° |
| C4' | C5' | H8 | 109.0° | 109.5° |
| C5' | C4' | H12 | 108.0° | 109.6° |
| O2' | C2' | C1' | 108.7° | 109.5° |
| O2' | C2' | H16 | 109.9° | 109.5° |
| C2' | O2' | H17 | 109.5° | 114.0° |
| C2' | C1' | O5' | 109.4° | 109.4° |
| C2' | C1' | C1 | 111.7° | 109.5° |
| C2' | C1' | H7 | 108.7° | 109.4° |
| C1' | C2' | H16 | 108.2° | 109.5° |
| O6' | C6' | C5' | 111.8° | 109.5° |
| O6' | C6' | H9 | 108.9° | 109.5° |
| O6' | C6' | H10 | 108.9° | 109.4° |
| C6' | O6' | H11 | 109.5° | 114.0° |
| C6' | C5' | O5' | 107.8° | 109.5° |
| C6' | C5' | H8 | 109.0° | 109.5° |
| C5' | C6' | H9 | 108.9° | 109.4° |
| C5' | C6' | H10 | 108.9° | 109.5° |
| C5' | O5' | C1' | 108.8° | 114.1° |
| O5' | C5' | H8 | 110.7° | 109.5° |
| O5' | C1' | C1 | 107.9° | 109.5° |
| O5' | C1' | H7 | 110.2° | 109.5° |
| C1' | C1 | C2 | 122.6° | 122.1° |
| C1' | C1 | N5 | 121.7° | 122.1° |
| C1 | C1' | H7 | 109.0° | 109.5° |
| C1 | C2 | S3 | 107.8° | 108.2° |
| C2 | C1 | N5 | 115.7° | 115.9° |
| C1 | C2 | H6 | 126.1° | 125.9° |
| C2 | S3 | C4 | 96.3° | 89.8° |
| S3 | C2 | H6 | 126.1° | 125.9° |
| C1 | N5 | C4 | 113.6° | 117.0° |
| S3 | C4 | N5 | 106.6° | 109.1° |
| S3 | C4 | C6 | 127.3° | 125.5° |
| N5 | C4 | C6 | 126.1° | 125.4° |
| C4 | C6 | C7 | 123.6° | 120.1° |
| C4 | C6 | C11 | 119.1° | 120.2° |
| C7 | C6 | C11 | 117.2° | 119.7° |
| C6 | C7 | C8 | 121.4° | 119.8° |
| C6 | C7 | H4 | 119.3° | 120.1° |
| C6 | C11 | C10 | 121.5° | 119.9° |
| C6 | C11 | H1 | 119.2° | 120.0° |
| C7 | C8 | C9 | 120.0° | 120.2° |
| C7 | C8 | H3 | 120.0° | 119.9° |
| C8 | C7 | H4 | 119.3° | 120.1° |
| C11 | C10 | C9 | 120.8° | 120.1° |
| C10 | C11 | H1 | 119.2° | 120.0° |
| C11 | C10 | H2 | 119.6° | 120.0° |
| C8 | C9 | C10 | 119.0° | 120.3° |
| C9 | C8 | H3 | 120.0° | 119.9° |
| C8 | C9 | H5 | 120.5° | 119.9° |
| C9 | C10 | H2 | 119.6° | 119.9° |
| C10 | C9 | H5 | 120.5° | 119.9° |
| H9 | C6' | H10 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | O4' | 65.6° | 63.2° |
| O3' | C3' | C4' | C2' | 121.6° | 119.9° |
| O3' | C3' | C4' | H14 | 119.7° | 120.2° |
| O3' | C3' | C2' | H14 | 121.6° | 120.3° |
| O3' | C3' | C4' | C5' | 171.9° | 176.9° |
| O3' | C3' | C2' | O2' | 69.4° | 63.2° |
| O3' | C3' | C2' | C1' | 169.9° | 176.8° |
| O3' | C3' | C4' | H12 | 53.2° | 56.9° |
| O3' | C3' | C2' | H16 | 51.4° | 56.9° |
| O4' | C4' | C3' | C5' | 122.5° | 119.9° |
| O4' | C4' | C3' | H12 | 118.8° | 120.1° |
| O4' | C4' | C3' | C2' | 172.8° | 176.9° |
| O4' | C4' | C5' | H12 | 120.0° | 120.1° |
| O4' | C4' | C5' | C6' | 61.1° | 62.4° |
| O4' | C4' | C5' | O5' | 179.8° | 177.6° |
| O4' | C4' | C5' | H8 | 58.7° | 57.6° |
| O4' | C4' | C3' | H14 | 54.1° | 57.0° |
| C4' | C3' | C2' | H14 | 118.9° | 119.9° |
| C3' | C4' | C5' | H12 | 118.9° | 119.9° |
| C4' | C3' | C2' | O2' | 171.1° | 176.9° |
| C4' | C3' | C2' | C1' | 50.3° | 57.0° |
| C3' | C4' | C5' | C6' | 177.8° | 177.6° |
| C3' | C4' | C5' | O5' | 59.1° | 57.6° |
| C3' | C4' | C5' | H8 | 62.4° | 62.4° |
| C3' | C4' | O4' | H13 | 180.0° | 60.3° |
| C4' | C3' | O3' | H15 | 180.0° | 180.0° |
| C4' | C3' | C2' | H16 | 68.1° | 62.9° |
| C2' | C3' | C4' | C5' | 50.3° | 57.0° |
| C3' | C2' | O2' | C1' | 121.9° | 119.7° |
| C3' | C2' | O2' | H16 | 119.8° | 120.2° |
| C3' | C2' | C1' | H16 | 118.5° | 119.9° |
| C3' | C2' | C1' | O5' | 58.7° | 57.6° |
| C3' | C2' | C1' | C1 | 178.1° | 177.6° |
| C3' | C2' | C1' | H7 | 61.6° | 62.4° |
| C2' | C3' | C4' | H12 | 68.4° | 63.0° |
| C2' | C3' | O3' | H15 | 60.2° | 60.4° |
| C3' | C2' | O2' | H17 | 180.0° | 60.0° |
| C4' | C5' | C6' | O6' | 45.0° | 175.1° |
| C4' | C5' | C6' | O5' | 120.0° | 119.9° |
| C4' | C5' | C6' | H8 | 119.7° | 120.0° |
| C4' | C5' | O5' | H8 | 120.5° | 120.0° |
| C4' | C5' | O5' | C1' | 66.2° | 61.2° |
| C4' | C5' | C6' | H9 | 75.4° | 55.0° |
| C4' | C5' | C6' | H10 | 165.4° | 65.0° |
| C5' | C4' | O4' | H13 | 57.1° | 180.0° |
| C5' | C4' | C3' | H14 | 68.4° | 62.9° |
| O2' | C2' | C1' | H16 | 119.4° | 120.1° |
| O2' | C2' | C1' | O5' | 179.1° | 177.5° |
| O2' | C2' | C1' | C1 | 59.8° | 62.5° |
| O2' | C2' | C1' | H7 | 60.5° | 57.6° |
| O2' | C2' | C3' | H14 | 52.2° | 57.0° |
| C2' | C1' | O5' | C5' | 66.4° | 61.1° |
| C2' | C1' | O5' | C1 | 121.7° | 120.0° |
| C2' | C1' | O5' | H7 | 119.4° | 119.9° |
| C2' | C1' | C1 | H7 | 120.1° | 120.0° |
| C2' | C1' | C1 | C2 | 34.9° | 125.0° |
| C2' | C1' | C1 | N5 | 146.5° | 54.9° |
| C1' | C2' | C3' | H14 | 68.6° | 62.9° |
| C1' | C2' | O2' | H17 | 58.1° | 179.7° |
| O6' | C6' | C5' | H9 | 120.4° | 120.1° |
| O6' | C6' | C5' | H10 | 120.4° | 119.9° |
| O6' | C6' | C5' | O5' | 75.0° | 65.0° |
| O6' | C6' | C5' | H8 | 164.7° | 55.1° |
| O6' | C6' | H9 | H10 | 118.9° | 120.0° |
| C6' | C5' | O5' | H8 | 119.2° | 120.0° |
| C6' | C5' | O5' | C1' | 173.4° | 178.9° |
| C5' | C6' | H9 | H10 | 118.9° | 120.0° |
| C5' | C6' | O6' | H11 | 180.0° | 180.0° |
| C6' | C5' | C4' | H12 | 58.9° | 57.7° |
| C5' | O5' | C1' | C1 | 171.9° | 178.8° |
| C5' | O5' | C1' | H7 | 53.0° | 58.8° |
| O5' | C5' | C6' | H9 | 164.6° | 175.0° |
| O5' | C5' | C6' | H10 | 45.3° | 55.0° |
| O5' | C5' | C4' | H12 | 59.8° | 62.3° |
| O5' | C1' | C1 | H7 | 119.7° | 120.1° |
| O5' | C1' | C1 | C2 | 85.4° | 115.0° |
| O5' | C1' | C1 | N5 | 93.2° | 65.1° |
| C1' | O5' | C5' | H8 | 54.2° | 58.8° |
| O5' | C1' | C2' | H16 | 59.8° | 62.3° |
| C1' | C1 | C2 | N5 | 178.6° | 179.9° |
| C1' | C1 | C2 | S3 | 178.9° | 180.0° |
| C1' | C1 | N5 | C4 | 179.1° | 179.8° |
| C1' | C1 | C2 | H6 | 1.1° | 0.2° |
| C1 | C1' | C2' | H16 | 59.6° | 57.7° |
| C1 | C2 | S3 | H6 | 180.0° | 179.9° |
| C1 | C2 | S3 | C4 | 0.0° | 0.2° |
| C2 | C1 | N5 | C4 | 0.5° | 0.1° |
| C2 | C1 | C1' | H7 | 155.0° | 5.1° |
| S3 | C2 | C1 | N5 | 0.3° | 0.1° |
| C2 | S3 | C4 | N5 | 0.2° | 0.2° |
| C2 | S3 | C4 | C6 | 179.9° | 179.9° |
| C1 | N5 | C4 | S3 | 0.4° | 0.2° |
| C1 | N5 | C4 | C6 | 179.9° | 180.0° |
| N5 | C1 | C2 | H6 | 179.7° | 180.0° |
| N5 | C1 | C1' | H7 | 26.5° | 174.8° |
| S3 | C4 | N5 | C6 | 179.7° | 179.7° |
| S3 | C4 | C6 | C7 | 5.5° | 0.3° |
| S3 | C4 | C6 | C11 | 174.4° | 179.7° |
| C4 | S3 | C2 | H6 | 180.0° | 180.0° |
| N5 | C4 | C6 | C7 | 175.0° | 180.0° |
| N5 | C4 | C6 | C11 | 5.2° | 0.1° |
| C4 | C6 | C7 | C11 | 179.9° | 179.9° |
| C4 | C6 | C7 | C8 | 179.8° | 179.5° |
| C4 | C6 | C11 | C10 | 179.9° | 179.9° |
| C4 | C6 | C11 | H1 | 0.1° | 0.2° |
| C4 | C6 | C7 | H4 | 0.2° | 0.3° |
| C6 | C7 | C8 | H4 | 180.0° | 179.2° |
| C7 | C6 | C11 | C10 | 0.2° | 0.0° |
| C6 | C7 | C8 | C9 | 0.3° | 0.8° |
| C7 | C6 | C11 | H1 | 179.7° | 179.7° |
| C6 | C7 | C8 | H3 | 179.7° | 179.7° |
| C11 | C6 | C7 | C8 | 0.1° | 0.6° |
| C6 | C11 | C10 | H1 | 180.0° | 179.7° |
| C6 | C11 | C10 | C9 | 0.4° | 0.3° |
| C6 | C11 | C10 | H2 | 179.6° | 179.8° |
| C11 | C6 | C7 | H4 | 179.9° | 179.8° |
| C7 | C8 | C9 | H3 | 180.0° | 179.5° |
| C7 | C8 | C9 | C10 | 0.2° | 0.5° |
| C7 | C8 | C9 | H5 | 179.8° | 179.5° |
| C11 | C10 | C9 | C8 | 0.2° | 0.1° |
| C11 | C10 | C9 | H2 | 180.0° | 179.9° |
| C11 | C10 | C9 | H5 | 179.8° | 179.9° |
| C8 | C9 | C10 | H5 | 180.0° | 180.0° |
| C8 | C9 | C10 | H2 | 179.8° | 180.0° |
| C9 | C8 | C7 | H4 | 179.7° | 180.0° |
| C9 | C10 | C11 | H1 | 179.6° | 180.0° |
| C10 | C9 | C8 | H3 | 179.8° | 180.0° |
| H1 | C11 | C10 | H2 | 0.4° | 0.0° |
| H2 | C10 | C9 | H5 | 0.2° | 0.0° |
| H3 | C8 | C7 | H4 | 0.3° | 0.5° |
| H3 | C8 | C9 | H5 | 0.2° | 0.0° |
| H7 | C1' | C2' | H16 | 179.9° | 177.7° |
| H8 | C5' | C6' | H9 | 44.4° | 65.0° |
| H8 | C5' | C6' | H10 | 74.9° | 175.0° |
| H8 | C5' | C4' | H12 | 178.7° | 177.7° |
| H9 | C6' | O6' | H11 | 59.6° | 60.0° |
| H10 | C6' | O6' | H11 | 59.6° | 60.1° |
| H12 | C4' | O4' | H13 | 62.0° | 59.9° |
| H12 | C4' | C3' | H14 | 172.9° | 177.1° |
| H14 | C3' | O3' | H15 | 60.7° | 59.9° |
| H14 | C3' | C2' | H16 | 173.0° | 177.2° |
| H16 | C2' | O2' | H17 | 60.2° | 60.1° |
