KLO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.51Å | 1.51Å | |
| C09 | C08 | sing | 1.51Å | 1.52Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| O01 | C02 | sing | 1.35Å | 1.39Å | |
| C07 | N06 | sing | 1.33Å | 1.34Å | Aromatic |
| C02 | N03 | doub | 1.33Å | 1.32Å | Aromatic |
| N06 | C04 | doub | 1.32Å | 1.32Å | Aromatic |
| N03 | C04 | sing | 1.32Å | 1.32Å | Aromatic |
| C04 | O05 | sing | 1.35Å | 1.39Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| O01 | H11 | sing | 0.97Å | 0.95Å | |
| O05 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C10 | 120.2° | 120.0° |
| C15 | C14 | C13 | 119.5° | 120.0° |
| C14 | C15 | H2 | 119.9° | 120.0° |
| C15 | C14 | H10 | 120.3° | 120.0° |
| C15 | C10 | C09 | 120.4° | 120.0° |
| C15 | C10 | C11 | 120.5° | 120.0° |
| C10 | C15 | H2 | 119.9° | 120.0° |
| C10 | C09 | C08 | 113.6° | 109.4° |
| C09 | C10 | C11 | 119.1° | 120.0° |
| C10 | C09 | H6 | 108.5° | 109.5° |
| C10 | C09 | H7 | 108.5° | 109.5° |
| C09 | C08 | C07 | 121.0° | 120.8° |
| C09 | C08 | C02 | 121.5° | 120.8° |
| C08 | C09 | H6 | 108.5° | 109.4° |
| C08 | C09 | H7 | 108.4° | 109.4° |
| C14 | C13 | C12 | 119.9° | 120.0° |
| C14 | C13 | H1 | 120.0° | 120.0° |
| C13 | C14 | H10 | 120.2° | 120.0° |
| C10 | C11 | C12 | 119.3° | 120.0° |
| C10 | C11 | H8 | 120.3° | 120.0° |
| C13 | C12 | C11 | 120.5° | 120.0° |
| C12 | C13 | H1 | 120.0° | 120.0° |
| C13 | C12 | H9 | 119.7° | 120.0° |
| C12 | C11 | H8 | 120.3° | 120.0° |
| C11 | C12 | H9 | 119.7° | 120.0° |
| C07 | C08 | C02 | 117.4° | 118.5° |
| C08 | C07 | N06 | 119.7° | 119.2° |
| C08 | C07 | H4 | 120.2° | 120.3° |
| C08 | C02 | O01 | 120.9° | 120.4° |
| C08 | C02 | N03 | 120.3° | 119.0° |
| O01 | C02 | N03 | 118.8° | 120.5° |
| C02 | O01 | H11 | 109.5° | 114.0° |
| C07 | N06 | C04 | 120.1° | 120.9° |
| N06 | C07 | H4 | 120.1° | 120.4° |
| C02 | N03 | C04 | 120.0° | 120.7° |
| N06 | C04 | N03 | 122.4° | 121.7° |
| N06 | C04 | O05 | 119.5° | 119.1° |
| N03 | C04 | O05 | 118.0° | 119.2° |
| C04 | O05 | H3 | 109.5° | 114.0° |
| H6 | C09 | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C10 | H2 | 180.0° | 179.9° |
| C14 | C15 | C10 | C09 | 179.4° | 179.7° |
| C15 | C14 | C13 | H10 | 180.0° | 179.9° |
| C14 | C15 | C10 | C11 | 0.4° | 0.0° |
| C15 | C14 | C13 | C12 | 0.6° | 0.0° |
| C15 | C14 | C13 | H1 | 179.4° | 180.0° |
| C15 | C10 | C09 | C11 | 179.0° | 179.7° |
| C15 | C10 | C09 | C08 | 114.7° | 90.3° |
| C10 | C15 | C14 | C13 | 0.8° | 0.0° |
| C15 | C10 | C11 | C12 | 0.1° | 0.0° |
| C15 | C10 | C09 | H6 | 5.9° | 29.7° |
| C15 | C10 | C09 | H7 | 124.7° | 149.8° |
| C15 | C10 | C11 | H8 | 179.8° | 179.9° |
| C10 | C15 | C14 | H10 | 179.2° | 179.9° |
| C10 | C09 | C08 | H6 | 120.6° | 120.0° |
| C10 | C09 | C08 | H7 | 120.6° | 120.0° |
| C09 | C10 | C11 | C12 | 178.8° | 179.7° |
| C10 | C09 | C08 | C07 | 109.4° | 95.0° |
| C10 | C09 | C08 | C02 | 72.9° | 84.5° |
| C09 | C10 | C15 | H2 | 0.6° | 0.3° |
| C10 | C09 | H6 | H7 | 118.1° | 120.1° |
| C09 | C10 | C11 | H8 | 1.2° | 0.4° |
| C08 | C09 | C10 | C11 | 66.3° | 90.0° |
| C09 | C08 | C07 | C02 | 177.8° | 179.5° |
| C09 | C08 | C02 | O01 | 1.2° | 0.3° |
| C09 | C08 | C07 | N06 | 179.0° | 180.0° |
| C09 | C08 | C02 | N03 | 178.4° | 180.0° |
| C09 | C08 | C07 | H4 | 1.0° | 0.3° |
| C08 | C09 | H6 | H7 | 118.1° | 120.0° |
| C14 | C13 | C12 | H1 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C13 | C14 | C15 | H2 | 179.2° | 179.9° |
| C14 | C13 | C12 | H9 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.3° | 0.0° |
| C10 | C11 | C12 | H8 | 180.0° | 179.9° |
| C11 | C10 | C15 | H2 | 179.6° | 179.9° |
| C11 | C10 | C09 | H6 | 173.0° | 150.0° |
| C11 | C10 | C09 | H7 | 54.3° | 29.9° |
| C10 | C11 | C12 | H9 | 179.6° | 179.9° |
| C13 | C12 | C11 | H9 | 180.0° | 179.9° |
| C13 | C12 | C11 | H8 | 179.6° | 179.9° |
| C12 | C13 | C14 | H10 | 179.4° | 179.9° |
| C11 | C12 | C13 | H1 | 180.0° | 180.0° |
| C07 | C08 | C02 | O01 | 179.0° | 179.8° |
| C08 | C07 | N06 | H4 | 180.0° | 179.7° |
| C07 | C08 | C02 | N03 | 0.6° | 0.5° |
| C08 | C07 | N06 | C04 | 1.7° | 0.3° |
| C07 | C08 | C09 | H6 | 130.0° | 145.0° |
| C07 | C08 | C09 | H7 | 11.2° | 25.0° |
| C08 | C02 | O01 | N03 | 179.7° | 179.7° |
| C02 | C08 | C07 | N06 | 1.2° | 0.5° |
| C08 | C02 | N03 | C04 | 0.6° | 0.3° |
| C02 | C08 | C07 | H4 | 178.8° | 179.8° |
| C02 | C08 | C09 | H6 | 47.8° | 35.5° |
| C02 | C08 | C09 | H7 | 166.5° | 155.5° |
| C08 | C02 | O01 | H11 | 179.7° | 90.3° |
| O01 | C02 | N03 | C04 | 179.1° | 180.0° |
| C07 | N06 | C04 | N03 | 1.7° | 0.1° |
| C07 | N06 | C04 | O05 | 179.9° | 180.0° |
| C02 | N03 | C04 | N06 | 1.1° | 0.1° |
| C02 | N03 | C04 | O05 | 179.5° | 180.0° |
| N03 | C02 | O01 | H11 | 0.0° | 90.0° |
| N06 | C04 | N03 | O05 | 178.4° | 180.0° |
| C04 | N06 | C07 | H4 | 178.3° | 180.0° |
| N06 | C04 | O05 | H3 | 0.0° | 90.0° |
| N03 | C04 | O05 | H3 | 178.4° | 89.9° |
| H1 | C13 | C12 | H9 | 0.0° | 0.1° |
| H1 | C13 | C14 | H10 | 0.6° | 0.1° |
| H2 | C15 | C14 | H10 | 0.8° | 0.0° |
| H8 | C11 | C12 | H9 | 0.4° | 0.0° |
