KVE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.46Å | |
| O4' | C4' | sing | 1.43Å | 1.46Å | |
| C3' | C4' | sing | 1.53Å | 1.53Å | |
| C3' | C2' | sing | 1.53Å | 1.58Å | |
| C4' | C5' | sing | 1.53Å | 1.57Å | |
| O2' | C2' | sing | 1.43Å | 1.46Å | |
| C2' | C1' | sing | 1.53Å | 1.58Å | |
| O6' | C6' | sing | 1.43Å | 1.43Å | |
| C5' | C6' | sing | 1.53Å | 1.54Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | C1 | sing | 1.51Å | 1.54Å | |
| S2 | C1 | sing | 1.71Å | 1.64Å | Aromatic |
| S2 | C3 | sing | 1.76Å | 1.65Å | Aromatic |
| C1 | N5 | doub | 1.29Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.35Å | 1.35Å | Aromatic |
| N5 | C4 | sing | 1.32Å | 1.38Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.36Å | |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.36Å | 1.40Å | Aromatic |
| C8 | C12 | doub | 1.41Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.42Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.36Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
| C9 | C15 | doub | 1.41Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.36Å | 1.41Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C6' | H11 | sing | 1.09Å | 1.10Å | |
| C6' | H12 | sing | 1.09Å | 1.10Å | |
| O6' | H13 | sing | 0.97Å | 0.95Å | |
| C4' | H14 | sing | 1.09Å | 1.10Å | |
| O4' | H15 | sing | 0.97Å | 0.95Å | |
| C3' | H16 | sing | 1.09Å | 1.10Å | |
| O3' | H17 | sing | 0.97Å | 0.95Å | |
| C2' | H18 | sing | 1.09Å | 1.10Å | |
| O2' | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 107.5° | 109.5° |
| O3' | C3' | C2' | 113.8° | 109.5° |
| O3' | C3' | H16 | 109.4° | 109.6° |
| C3' | O3' | H17 | 109.5° | 114.0° |
| O4' | C4' | C3' | 108.9° | 109.6° |
| O4' | C4' | C5' | 110.4° | 109.5° |
| O4' | C4' | H14 | 109.3° | 109.6° |
| C4' | O4' | H15 | 109.5° | 114.0° |
| C4' | C3' | C2' | 109.8° | 109.1° |
| C3' | C4' | C5' | 111.9° | 109.1° |
| C3' | C4' | H14 | 108.4° | 109.5° |
| C4' | C3' | H16 | 108.5° | 109.6° |
| C3' | C2' | O2' | 113.6° | 109.5° |
| C3' | C2' | C1' | 110.7° | 109.1° |
| C2' | C3' | H16 | 107.8° | 109.6° |
| C3' | C2' | H18 | 106.9° | 109.6° |
| C4' | C5' | C6' | 111.6° | 109.5° |
| C4' | C5' | O5' | 112.2° | 109.5° |
| C4' | C5' | H10 | 107.5° | 109.5° |
| C5' | C4' | H14 | 107.9° | 109.5° |
| O2' | C2' | C1' | 110.3° | 109.5° |
| O2' | C2' | H18 | 108.2° | 109.6° |
| C2' | O2' | H19 | 109.5° | 114.0° |
| C2' | C1' | O5' | 107.8° | 109.4° |
| C2' | C1' | C1 | 110.6° | 109.5° |
| C2' | C1' | H9 | 109.5° | 109.5° |
| C1' | C2' | H18 | 106.9° | 109.5° |
| O6' | C6' | C5' | 110.2° | 109.5° |
| O6' | C6' | H11 | 109.3° | 109.5° |
| O6' | C6' | H12 | 109.3° | 109.5° |
| C6' | O6' | H13 | 109.5° | 114.0° |
| C6' | C5' | O5' | 108.1° | 109.5° |
| C6' | C5' | H10 | 108.0° | 109.5° |
| C5' | C6' | H11 | 109.3° | 109.5° |
| C5' | C6' | H12 | 109.3° | 109.5° |
| C5' | O5' | C1' | 110.6° | 114.1° |
| O5' | C5' | H10 | 109.3° | 109.5° |
| O5' | C1' | C1 | 107.3° | 109.5° |
| O5' | C1' | H9 | 111.6° | 109.5° |
| C1' | C1 | S2 | 122.3° | 124.8° |
| C1' | C1 | N5 | 129.2° | 124.7° |
| C1 | C1' | H9 | 110.0° | 109.5° |
| C1 | S2 | C3 | 96.6° | 90.5° |
| S2 | C1 | N5 | 108.5° | 110.5° |
| S2 | C3 | C4 | 107.6° | 107.9° |
| S2 | C3 | H1 | 126.2° | 126.1° |
| C1 | N5 | C4 | 113.3° | 117.1° |
| C3 | C4 | N5 | 114.0° | 114.1° |
| C3 | C4 | C6 | 120.6° | 123.0° |
| C4 | C3 | H1 | 126.2° | 126.0° |
| N5 | C4 | C6 | 125.5° | 123.0° |
| C4 | C6 | C7 | 118.7° | 119.7° |
| C4 | C6 | C11 | 123.3° | 119.7° |
| C7 | C6 | C11 | 118.0° | 120.6° |
| C6 | C7 | C8 | 121.6° | 119.5° |
| C6 | C7 | H4 | 119.2° | 120.3° |
| C6 | C11 | C10 | 120.9° | 120.9° |
| C6 | C11 | H8 | 119.5° | 119.6° |
| C7 | C8 | C12 | 118.6° | 121.1° |
| C7 | C8 | C9 | 119.8° | 119.5° |
| C8 | C7 | H4 | 119.2° | 120.3° |
| C11 | C10 | C9 | 119.7° | 120.0° |
| C11 | C10 | H2 | 120.2° | 120.0° |
| C10 | C11 | H8 | 119.6° | 119.5° |
| C12 | C8 | C9 | 121.7° | 119.4° |
| C8 | C12 | C13 | 119.8° | 119.6° |
| C8 | C12 | H5 | 120.1° | 120.2° |
| C8 | C9 | C10 | 120.0° | 119.7° |
| C8 | C9 | C15 | 118.5° | 119.3° |
| C12 | C13 | C14 | 118.8° | 121.0° |
| C13 | C12 | H5 | 120.1° | 120.2° |
| C12 | C13 | H6 | 120.6° | 119.5° |
| C10 | C9 | C15 | 121.5° | 121.1° |
| C9 | C10 | H2 | 120.1° | 120.0° |
| C9 | C15 | C14 | 119.7° | 119.7° |
| C9 | C15 | H7 | 120.2° | 120.1° |
| C13 | C14 | C15 | 121.5° | 121.0° |
| C13 | C14 | H3 | 119.2° | 119.5° |
| C14 | C13 | H6 | 120.6° | 119.5° |
| C15 | C14 | H3 | 119.3° | 119.5° |
| C14 | C15 | H7 | 120.1° | 120.2° |
| H11 | C6' | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | O4' | 67.8° | 63.3° |
| O3' | C3' | C4' | C2' | 124.3° | 119.8° |
| O3' | C3' | C4' | H16 | 118.1° | 120.3° |
| O3' | C3' | C2' | H16 | 121.5° | 120.3° |
| O3' | C3' | C4' | C5' | 170.0° | 176.8° |
| O3' | C3' | C2' | O2' | 64.1° | 63.3° |
| O3' | C3' | C2' | C1' | 171.2° | 176.8° |
| O3' | C3' | C4' | H14 | 51.1° | 57.0° |
| O3' | C3' | C2' | H18 | 55.2° | 57.0° |
| O4' | C4' | C3' | C5' | 122.3° | 119.9° |
| O4' | C4' | C3' | H14 | 118.8° | 120.2° |
| O4' | C4' | C3' | C2' | 167.9° | 176.9° |
| O4' | C4' | C5' | H14 | 119.4° | 120.2° |
| O4' | C4' | C5' | C6' | 64.7° | 62.4° |
| O4' | C4' | C5' | O5' | 173.8° | 177.6° |
| O4' | C4' | C5' | H10 | 53.5° | 57.6° |
| O4' | C4' | C3' | H16 | 50.4° | 57.0° |
| C4' | C3' | C2' | H16 | 118.0° | 119.9° |
| C3' | C4' | C5' | H14 | 119.2° | 119.9° |
| C4' | C3' | C2' | O2' | 175.3° | 176.9° |
| C4' | C3' | C2' | C1' | 50.7° | 57.0° |
| C3' | C4' | C5' | C6' | 173.9° | 177.6° |
| C3' | C4' | C5' | O5' | 52.3° | 57.6° |
| C3' | C4' | C5' | H10 | 67.9° | 62.4° |
| C3' | C4' | O4' | H15 | 180.0° | 60.3° |
| C4' | C3' | O3' | H17 | 180.0° | 180.0° |
| C4' | C3' | C2' | H18 | 65.4° | 62.9° |
| C2' | C3' | C4' | C5' | 45.7° | 57.0° |
| C3' | C2' | O2' | C1' | 124.9° | 119.6° |
| C3' | C2' | O2' | H18 | 118.5° | 120.2° |
| C3' | C2' | C1' | H18 | 116.0° | 119.9° |
| C3' | C2' | C1' | O5' | 60.7° | 57.6° |
| C3' | C2' | C1' | C1 | 177.8° | 177.6° |
| C3' | C2' | C1' | H9 | 60.8° | 62.4° |
| C2' | C3' | C4' | H14 | 73.2° | 62.8° |
| C2' | C3' | O3' | H17 | 58.2° | 60.5° |
| C3' | C2' | O2' | H19 | 180.0° | 180.0° |
| C4' | C5' | C6' | O6' | 47.2° | 175.0° |
| C4' | C5' | C6' | O5' | 123.9° | 120.0° |
| C4' | C5' | C6' | H10 | 117.9° | 120.0° |
| C4' | C5' | O5' | H10 | 119.2° | 120.0° |
| C4' | C5' | O5' | C1' | 63.5° | 61.1° |
| C4' | C5' | C6' | H11 | 72.9° | 55.0° |
| C4' | C5' | C6' | H12 | 167.3° | 65.0° |
| C5' | C4' | O4' | H15 | 56.8° | 180.0° |
| C5' | C4' | C3' | H16 | 71.9° | 62.9° |
| O2' | C2' | C1' | H18 | 117.4° | 120.2° |
| O2' | C2' | C1' | O5' | 172.7° | 177.5° |
| O2' | C2' | C1' | C1 | 55.7° | 62.5° |
| O2' | C2' | C1' | H9 | 65.7° | 57.5° |
| O2' | C2' | C3' | H16 | 57.3° | 57.0° |
| C2' | C1' | O5' | C5' | 67.0° | 61.1° |
| C2' | C1' | O5' | C1 | 119.2° | 120.0° |
| C2' | C1' | O5' | H9 | 120.3° | 120.0° |
| C2' | C1' | C1 | H9 | 121.1° | 120.0° |
| C2' | C1' | C1 | S2 | 30.1° | 75.3° |
| C2' | C1' | C1 | N5 | 152.2° | 105.1° |
| C1' | C2' | C3' | H16 | 67.3° | 62.9° |
| C1' | C2' | O2' | H19 | 55.2° | 60.3° |
| O6' | C6' | C5' | H11 | 120.1° | 120.0° |
| O6' | C6' | C5' | H12 | 120.1° | 120.0° |
| O6' | C6' | C5' | O5' | 76.7° | 65.0° |
| O6' | C6' | C5' | H10 | 165.1° | 55.0° |
| O6' | C6' | H11 | H12 | 119.7° | 120.0° |
| C6' | C5' | O5' | H10 | 117.3° | 120.0° |
| C6' | C5' | O5' | C1' | 173.0° | 178.9° |
| C5' | C6' | H11 | H12 | 119.7° | 120.0° |
| C5' | C6' | O6' | H13 | 180.0° | 180.0° |
| C6' | C5' | C4' | H14 | 54.7° | 57.8° |
| C5' | O5' | C1' | C1 | 173.8° | 178.9° |
| C5' | O5' | C1' | H9 | 53.3° | 58.9° |
| O5' | C5' | C6' | H11 | 163.2° | 175.0° |
| O5' | C5' | C6' | H12 | 43.4° | 55.0° |
| O5' | C5' | C4' | H14 | 66.8° | 62.3° |
| O5' | C1' | C1 | H9 | 121.5° | 120.0° |
| O5' | C1' | C1 | S2 | 87.2° | 44.7° |
| O5' | C1' | C1 | N5 | 90.4° | 134.9° |
| C1' | O5' | C5' | H10 | 55.7° | 58.8° |
| O5' | C1' | C2' | H18 | 55.3° | 62.3° |
| C1' | C1 | S2 | N5 | 178.1° | 179.7° |
| C1' | C1 | S2 | C3 | 178.8° | 179.7° |
| C1' | C1 | N5 | C4 | 179.2° | 179.7° |
| C1 | C1' | C2' | H18 | 61.8° | 57.7° |
| C1 | S2 | C3 | C4 | 0.0° | 0.0° |
| S2 | C1 | N5 | C4 | 1.3° | 0.0° |
| C1 | S2 | C3 | H1 | 180.0° | 180.0° |
| S2 | C1 | C1' | H9 | 151.2° | 164.7° |
| C3 | S2 | C1 | N5 | 0.7° | 0.1° |
| S2 | C3 | C4 | H1 | 180.0° | 180.0° |
| S2 | C3 | C4 | N5 | 0.8° | 0.0° |
| S2 | C3 | C4 | C6 | 179.7° | 179.9° |
| C1 | N5 | C4 | C3 | 1.4° | 0.0° |
| C1 | N5 | C4 | C6 | 179.1° | 179.9° |
| N5 | C1 | C1' | H9 | 31.1° | 14.9° |
| C3 | C4 | N5 | C6 | 179.5° | 179.9° |
| C3 | C4 | C6 | C7 | 0.8° | 4.9° |
| C3 | C4 | C6 | C11 | 179.3° | 175.3° |
| N5 | C4 | C6 | C7 | 179.7° | 175.0° |
| N5 | C4 | C6 | C11 | 0.2° | 4.8° |
| N5 | C4 | C3 | H1 | 179.2° | 180.0° |
| C4 | C6 | C7 | C11 | 179.9° | 179.7° |
| C4 | C6 | C7 | C8 | 179.7° | 180.0° |
| C4 | C6 | C11 | C10 | 179.7° | 179.6° |
| C6 | C4 | C3 | H1 | 0.3° | 0.1° |
| C4 | C6 | C7 | H4 | 0.3° | 0.0° |
| C4 | C6 | C11 | H8 | 0.3° | 0.0° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C7 | C6 | C11 | C10 | 0.3° | 0.7° |
| C6 | C7 | C8 | C12 | 179.8° | 180.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.0° |
| C7 | C6 | C11 | H8 | 179.7° | 179.7° |
| C11 | C6 | C7 | C8 | 0.3° | 0.3° |
| C6 | C11 | C10 | H8 | 180.0° | 179.6° |
| C6 | C11 | C10 | C9 | 0.6° | 0.7° |
| C6 | C11 | C10 | H2 | 179.4° | 179.7° |
| C11 | C6 | C7 | H4 | 179.7° | 179.7° |
| C7 | C8 | C12 | C9 | 179.7° | 180.0° |
| C7 | C8 | C12 | C13 | 179.4° | 179.9° |
| C7 | C8 | C9 | C10 | 0.2° | 0.1° |
| C7 | C8 | C9 | C15 | 179.3° | 179.7° |
| C7 | C8 | C12 | H5 | 0.5° | 0.0° |
| C11 | C10 | C9 | C8 | 0.4° | 0.4° |
| C11 | C10 | C9 | H2 | 180.0° | 179.5° |
| C11 | C10 | C9 | C15 | 179.9° | 180.0° |
| C8 | C12 | C13 | H5 | 180.0° | 180.0° |
| C12 | C8 | C9 | C10 | 179.9° | 179.9° |
| C12 | C8 | C9 | C15 | 0.3° | 0.3° |
| C8 | C12 | C13 | C14 | 0.0° | 0.1° |
| C12 | C8 | C7 | H4 | 0.2° | 0.0° |
| C8 | C12 | C13 | H6 | 180.0° | 180.0° |
| C9 | C8 | C12 | C13 | 0.2° | 0.1° |
| C8 | C9 | C10 | C15 | 179.5° | 179.6° |
| C8 | C9 | C15 | C14 | 0.2° | 0.7° |
| C8 | C9 | C10 | H2 | 179.7° | 180.0° |
| C9 | C8 | C7 | H4 | 179.5° | 180.0° |
| C9 | C8 | C12 | H5 | 179.8° | 180.0° |
| C8 | C9 | C15 | H7 | 179.8° | 179.6° |
| C12 | C13 | C14 | H6 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.3° |
| C12 | C13 | C14 | H3 | 179.9° | 180.0° |
| C10 | C9 | C15 | C14 | 179.8° | 179.7° |
| C10 | C9 | C15 | H7 | 0.3° | 0.0° |
| C9 | C10 | C11 | H8 | 179.4° | 179.7° |
| C9 | C15 | C14 | C13 | 0.0° | 0.7° |
| C9 | C15 | C14 | H7 | 180.0° | 179.7° |
| C15 | C9 | C10 | H2 | 0.1° | 0.4° |
| C9 | C15 | C14 | H3 | 180.0° | 179.6° |
| C13 | C14 | C15 | H3 | 180.0° | 179.6° |
| C14 | C13 | C12 | H5 | 180.0° | 180.0° |
| C13 | C14 | C15 | H7 | 180.0° | 179.6° |
| C15 | C14 | C13 | H6 | 179.9° | 179.6° |
| H2 | C10 | C11 | H8 | 0.6° | 0.1° |
| H3 | C14 | C13 | H6 | 0.1° | 0.1° |
| H3 | C14 | C15 | H7 | 0.0° | 0.0° |
| H5 | C12 | C13 | H6 | 0.0° | 0.1° |
| H9 | C1' | C2' | H18 | 176.8° | 177.7° |
| H10 | C5' | C6' | H11 | 45.0° | 65.0° |
| H10 | C5' | C6' | H12 | 74.8° | 175.0° |
| H10 | C5' | C4' | H14 | 172.9° | 177.8° |
| H11 | C6' | O6' | H13 | 59.9° | 60.0° |
| H12 | C6' | O6' | H13 | 59.9° | 60.0° |
| H14 | C4' | O4' | H15 | 61.8° | 59.9° |
| H14 | C4' | C3' | H16 | 169.2° | 177.2° |
| H16 | C3' | O3' | H17 | 62.4° | 59.8° |
| H16 | C3' | C2' | H18 | 176.7° | 177.2° |
| H18 | C2' | O2' | H19 | 61.5° | 59.8° |
