KVW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C4 | sing | 1.48Å | 1.36Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | S2 | sing | 1.71Å | 1.58Å | Aromatic |
| C1 | N5 | doub | 1.29Å | 1.34Å | Aromatic |
| C1 | C1' | sing | 1.51Å | 1.52Å | |
| S2 | C3 | sing | 1.76Å | 1.67Å | Aromatic |
| C3 | C4 | doub | 1.35Å | 1.35Å | Aromatic |
| C4 | N5 | sing | 1.33Å | 1.36Å | Aromatic |
| C1' | O5' | sing | 1.43Å | 1.42Å | |
| C1' | C2' | sing | 1.53Å | 1.55Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| C5' | C6' | sing | 1.53Å | 1.54Å | |
| C5' | C4' | sing | 1.53Å | 1.54Å | |
| C6' | O6' | sing | 1.43Å | 1.43Å | |
| C4' | O4' | sing | 1.43Å | 1.43Å | |
| C4' | C3' | sing | 1.53Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.46Å | |
| C3' | C2' | sing | 1.53Å | 1.55Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C1' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| C6' | H12 | sing | 1.09Å | 1.10Å | |
| C6' | H13 | sing | 1.09Å | 1.10Å | |
| O6' | H14 | sing | 0.97Å | 0.95Å | |
| C4' | H15 | sing | 1.09Å | 1.10Å | |
| O4' | H16 | sing | 0.97Å | 0.95Å | |
| C3' | H17 | sing | 1.09Å | 1.10Å | |
| O3' | H18 | sing | 0.97Å | 0.95Å | |
| C2' | H19 | sing | 1.09Å | 1.10Å | |
| O2' | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 119.9° | 120.2° |
| C8 | C9 | C10 | 119.4° | 120.2° |
| C9 | C8 | H1 | 120.1° | 119.9° |
| C8 | C9 | H3 | 120.3° | 119.9° |
| C8 | C7 | C6 | 121.7° | 119.8° |
| C7 | C8 | H1 | 120.1° | 120.0° |
| C8 | C7 | H8 | 119.1° | 120.1° |
| C4 | C6 | C7 | 123.2° | 120.1° |
| C4 | C6 | C11 | 119.9° | 120.1° |
| C6 | C4 | C3 | 124.3° | 122.9° |
| C6 | C4 | N5 | 123.2° | 123.0° |
| C7 | C6 | C11 | 117.0° | 119.8° |
| C6 | C7 | H8 | 119.2° | 120.1° |
| C6 | C11 | C10 | 121.9° | 119.8° |
| C6 | C11 | H9 | 119.1° | 120.1° |
| C9 | C10 | C11 | 120.2° | 120.2° |
| C9 | C10 | H2 | 119.9° | 119.9° |
| C10 | C9 | H3 | 120.3° | 119.9° |
| C11 | C10 | H2 | 119.9° | 119.9° |
| C10 | C11 | H9 | 119.1° | 120.1° |
| S2 | C1 | N5 | 109.7° | 110.5° |
| S2 | C1 | C1' | 124.5° | 124.8° |
| C1 | S2 | C3 | 96.3° | 90.5° |
| N5 | C1 | C1' | 125.8° | 124.7° |
| C1 | N5 | C4 | 114.0° | 117.1° |
| C1 | C1' | O5' | 108.2° | 109.4° |
| C1 | C1' | C2' | 111.2° | 109.5° |
| C1 | C1' | H10 | 109.0° | 109.5° |
| S2 | C3 | C4 | 107.5° | 107.9° |
| S2 | C3 | H6 | 126.3° | 126.1° |
| C3 | C4 | N5 | 112.5° | 114.1° |
| C4 | C3 | H6 | 126.2° | 126.1° |
| O5' | C1' | C2' | 109.4° | 109.4° |
| C1' | O5' | C5' | 109.5° | 114.1° |
| O5' | C1' | H10 | 110.3° | 109.5° |
| C1' | C2' | C3' | 109.4° | 109.1° |
| C1' | C2' | O2' | 109.7° | 109.5° |
| C2' | C1' | H10 | 108.6° | 109.5° |
| C1' | C2' | H19 | 108.7° | 109.5° |
| O5' | C5' | C6' | 108.0° | 109.5° |
| O5' | C5' | C4' | 110.7° | 109.4° |
| O5' | C5' | H11 | 110.0° | 109.5° |
| C6' | C5' | C4' | 110.8° | 109.5° |
| C5' | C6' | O6' | 111.4° | 109.5° |
| C6' | C5' | H11 | 108.6° | 109.5° |
| C5' | C6' | H12 | 109.0° | 109.4° |
| C5' | C6' | H13 | 109.0° | 109.5° |
| C5' | C4' | O4' | 109.6° | 109.5° |
| C5' | C4' | C3' | 111.3° | 109.2° |
| C4' | C5' | H11 | 108.6° | 109.5° |
| C5' | C4' | H15 | 108.4° | 109.5° |
| O6' | C6' | H12 | 109.0° | 109.5° |
| O6' | C6' | H13 | 109.0° | 109.5° |
| C6' | O6' | H14 | 109.5° | 114.0° |
| O4' | C4' | C3' | 108.9° | 109.5° |
| O4' | C4' | H15 | 109.9° | 109.5° |
| C4' | O4' | H16 | 109.5° | 114.0° |
| C4' | C3' | O3' | 109.9° | 109.5° |
| C4' | C3' | C2' | 108.7° | 109.1° |
| C3' | C4' | H15 | 108.7° | 109.6° |
| C4' | C3' | H17 | 108.7° | 109.5° |
| O3' | C3' | C2' | 111.7° | 109.5° |
| O3' | C3' | H17 | 109.4° | 109.6° |
| C3' | O3' | H18 | 109.5° | 114.0° |
| C3' | C2' | O2' | 109.9° | 109.5° |
| C2' | C3' | H17 | 108.3° | 109.6° |
| C3' | C2' | H19 | 108.7° | 109.5° |
| O2' | C2' | H19 | 110.4° | 109.6° |
| C2' | O2' | H20 | 109.5° | 114.0° |
| H12 | C6' | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H1 | 180.0° | 179.7° |
| C9 | C8 | C7 | C6 | 0.3° | 0.0° |
| C8 | C9 | C10 | H3 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.4° | 0.1° |
| C8 | C9 | C10 | H2 | 179.5° | 179.9° |
| C9 | C8 | C7 | H8 | 179.7° | 179.9° |
| C8 | C7 | C6 | C4 | 179.9° | 180.0° |
| C8 | C7 | C6 | H8 | 180.0° | 180.0° |
| C8 | C7 | C6 | C11 | 0.1° | 0.0° |
| C7 | C8 | C9 | C10 | 0.5° | 0.1° |
| C7 | C8 | C9 | H3 | 179.5° | 180.0° |
| C4 | C6 | C7 | C11 | 180.0° | 179.9° |
| C4 | C6 | C11 | C10 | 179.8° | 180.0° |
| C6 | C4 | N5 | C1 | 178.6° | 179.9° |
| C6 | C4 | C3 | S2 | 179.0° | 180.0° |
| C6 | C4 | C3 | N5 | 179.0° | 180.0° |
| C6 | C4 | C3 | H6 | 1.0° | 0.1° |
| C4 | C6 | C7 | H8 | 0.1° | 0.0° |
| C4 | C6 | C11 | H9 | 0.1° | 0.0° |
| C7 | C6 | C11 | C10 | 0.2° | 0.0° |
| C7 | C6 | C4 | C3 | 1.0° | 5.1° |
| C7 | C6 | C4 | N5 | 177.9° | 175.0° |
| C6 | C7 | C8 | H1 | 179.7° | 179.8° |
| C7 | C6 | C11 | H9 | 179.9° | 179.9° |
| C6 | C11 | C10 | C9 | 0.1° | 0.0° |
| C6 | C11 | C10 | H9 | 180.0° | 179.9° |
| C11 | C6 | C4 | C3 | 179.0° | 175.0° |
| C11 | C6 | C4 | N5 | 2.1° | 5.0° |
| C6 | C11 | C10 | H2 | 179.9° | 179.9° |
| C11 | C6 | C7 | H8 | 179.9° | 180.0° |
| C9 | C10 | C11 | H2 | 180.0° | 180.0° |
| C10 | C9 | C8 | H1 | 179.5° | 179.8° |
| C9 | C10 | C11 | H9 | 179.9° | 179.9° |
| C11 | C10 | C9 | H3 | 179.6° | 180.0° |
| S2 | C1 | N5 | C1' | 178.9° | 179.7° |
| C1 | S2 | C3 | C4 | 0.3° | 0.0° |
| S2 | C1 | N5 | C4 | 0.6° | 0.0° |
| S2 | C1 | C1' | O5' | 89.3° | 45.0° |
| S2 | C1 | C1' | C2' | 30.9° | 74.9° |
| C1 | S2 | C3 | H6 | 179.8° | 180.0° |
| S2 | C1 | C1' | H10 | 150.6° | 165.1° |
| N5 | C1 | S2 | C3 | 0.5° | 0.0° |
| C1 | N5 | C4 | C3 | 0.4° | 0.0° |
| N5 | C1 | C1' | O5' | 89.4° | 135.3° |
| N5 | C1 | C1' | C2' | 150.4° | 104.8° |
| N5 | C1 | C1' | H10 | 30.7° | 15.3° |
| C1' | C1 | S2 | C3 | 179.4° | 179.7° |
| C1' | C1 | N5 | C4 | 179.5° | 179.7° |
| C1 | C1' | O5' | C2' | 121.4° | 119.9° |
| C1 | C1' | O5' | H10 | 119.2° | 120.0° |
| C1 | C1' | C2' | H10 | 119.9° | 120.0° |
| C1 | C1' | O5' | C5' | 172.5° | 178.9° |
| C1 | C1' | C2' | C3' | 178.9° | 177.6° |
| C1 | C1' | C2' | O2' | 58.2° | 62.5° |
| C1 | C1' | C2' | H19 | 62.6° | 57.7° |
| S2 | C3 | C4 | H6 | 180.0° | 180.0° |
| S2 | C3 | C4 | N5 | 0.1° | 0.0° |
| N5 | C4 | C3 | H6 | 179.9° | 180.0° |
| O5' | C1' | C2' | H10 | 120.5° | 120.1° |
| C1' | O5' | C5' | C6' | 175.1° | 178.8° |
| C1' | O5' | C5' | C4' | 63.4° | 61.2° |
| O5' | C1' | C2' | C3' | 61.6° | 57.6° |
| O5' | C1' | C2' | O2' | 177.8° | 177.5° |
| C1' | O5' | C5' | H11 | 56.7° | 58.8° |
| O5' | C1' | C2' | H19 | 57.0° | 62.2° |
| C2' | C1' | O5' | C5' | 66.1° | 61.2° |
| C1' | C2' | C3' | C4' | 53.6° | 57.0° |
| C1' | C2' | C3' | O3' | 175.1° | 176.8° |
| C1' | C2' | C3' | O2' | 120.5° | 119.9° |
| C1' | C2' | C3' | H19 | 118.6° | 119.9° |
| C1' | C2' | O2' | H19 | 119.8° | 120.2° |
| C1' | C2' | C3' | H17 | 64.3° | 62.9° |
| C1' | C2' | O2' | H20 | 180.0° | 60.0° |
| O5' | C5' | C6' | C4' | 121.4° | 119.9° |
| O5' | C5' | C6' | H11 | 119.3° | 120.0° |
| O5' | C5' | C4' | H11 | 121.0° | 120.0° |
| O5' | C5' | C6' | O6' | 73.8° | 65.0° |
| O5' | C5' | C4' | O4' | 177.3° | 177.5° |
| O5' | C5' | C4' | C3' | 56.7° | 57.6° |
| C5' | O5' | C1' | H10 | 53.4° | 58.8° |
| O5' | C5' | C6' | H12 | 46.5° | 175.0° |
| O5' | C5' | C6' | H13 | 165.9° | 55.1° |
| O5' | C5' | C4' | H15 | 62.8° | 62.3° |
| C6' | C5' | C4' | H11 | 119.3° | 120.0° |
| C5' | C6' | O6' | H12 | 120.3° | 120.0° |
| C5' | C6' | O6' | H13 | 120.3° | 120.0° |
| C6' | C5' | C4' | O4' | 63.0° | 62.5° |
| C6' | C5' | C4' | C3' | 176.4° | 177.6° |
| C5' | C6' | H12 | H13 | 119.1° | 120.0° |
| C5' | C6' | O6' | H14 | 180.0° | 180.0° |
| C6' | C5' | C4' | H15 | 57.0° | 57.6° |
| C4' | C5' | C6' | O6' | 47.6° | 175.0° |
| C5' | C4' | O4' | C3' | 122.0° | 119.7° |
| C5' | C4' | O4' | H15 | 119.0° | 120.2° |
| C5' | C4' | C3' | H15 | 119.3° | 120.0° |
| C5' | C4' | C3' | O3' | 174.0° | 176.8° |
| C5' | C4' | C3' | C2' | 51.5° | 57.0° |
| C4' | C5' | C6' | H12 | 167.9° | 55.1° |
| C4' | C5' | C6' | H13 | 72.7° | 64.9° |
| C5' | C4' | O4' | H16 | 180.0° | 180.0° |
| C5' | C4' | C3' | H17 | 66.2° | 63.0° |
| O6' | C6' | C5' | H11 | 166.8° | 55.0° |
| O6' | C6' | H12 | H13 | 119.1° | 120.1° |
| O4' | C4' | C3' | H15 | 119.7° | 120.1° |
| O4' | C4' | C3' | O3' | 64.9° | 63.3° |
| O4' | C4' | C3' | C2' | 172.5° | 176.9° |
| O4' | C4' | C5' | H11 | 56.3° | 57.5° |
| O4' | C4' | C3' | H17 | 54.8° | 56.9° |
| C4' | C3' | O3' | C2' | 120.7° | 119.5° |
| C4' | C3' | O3' | H17 | 119.3° | 120.2° |
| C4' | C3' | C2' | H17 | 117.9° | 119.9° |
| C4' | C3' | C2' | O2' | 174.1° | 176.9° |
| C3' | C4' | C5' | H11 | 64.3° | 62.4° |
| C3' | C4' | O4' | H16 | 58.0° | 60.3° |
| C4' | C3' | O3' | H18 | 180.0° | 179.9° |
| C4' | C3' | C2' | H19 | 64.9° | 62.9° |
| O3' | C3' | C2' | H17 | 120.6° | 120.3° |
| O3' | C3' | C2' | O2' | 64.4° | 63.3° |
| O3' | C3' | C4' | H15 | 54.8° | 56.9° |
| O3' | C3' | C2' | H19 | 56.5° | 56.9° |
| C3' | C2' | O2' | H19 | 119.9° | 120.2° |
| C3' | C2' | C1' | H10 | 58.9° | 62.4° |
| C2' | C3' | C4' | H15 | 67.8° | 63.0° |
| C2' | C3' | O3' | H18 | 59.3° | 60.5° |
| C3' | C2' | O2' | H20 | 59.7° | 179.7° |
| O2' | C2' | C1' | H10 | 61.7° | 57.5° |
| O2' | C2' | C3' | H17 | 56.2° | 57.0° |
| H1 | C8 | C9 | H3 | 0.5° | 0.3° |
| H1 | C8 | C7 | H8 | 0.3° | 0.2° |
| H2 | C10 | C9 | H3 | 0.5° | 0.0° |
| H2 | C10 | C11 | H9 | 0.1° | 0.1° |
| H10 | C1' | C2' | H19 | 177.5° | 177.7° |
| H11 | C5' | C6' | H12 | 72.9° | 65.0° |
| H11 | C5' | C6' | H13 | 46.6° | 175.1° |
| H11 | C5' | C4' | H15 | 176.2° | 177.7° |
| H12 | C6' | O6' | H14 | 59.7° | 60.0° |
| H13 | C6' | O6' | H14 | 59.7° | 60.0° |
| H15 | C4' | O4' | H16 | 61.0° | 59.8° |
| H15 | C4' | C3' | H17 | 174.5° | 177.1° |
| H17 | C3' | O3' | H18 | 60.7° | 59.8° |
| H17 | C3' | C2' | H19 | 177.1° | 177.2° |
| H19 | C2' | O2' | H20 | 60.2° | 60.2° |
