LVK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | doub | 1.21Å | 1.27Å | |
| C11 | O13 | sing | 1.35Å | 1.26Å | |
| C11 | C08 | sing | 1.48Å | 1.53Å | |
| C07 | C08 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C05 | C03 | sing | 1.47Å | 1.52Å | |
| O04 | C03 | doub | 1.21Å | 1.18Å | |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| O13 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | O13 | 121.1° | 120.0° |
| O12 | C11 | C08 | 118.4° | 120.0° |
| O13 | C11 | C08 | 120.4° | 120.0° |
| C11 | O13 | H10 | 109.5° | 117.0° |
| C11 | C08 | C07 | 118.5° | 120.0° |
| C11 | C08 | C09 | 120.0° | 119.9° |
| C08 | C07 | C06 | 118.6° | 120.0° |
| C07 | C08 | C09 | 121.6° | 120.1° |
| C08 | C07 | H7 | 120.7° | 120.0° |
| C07 | C06 | C05 | 120.0° | 120.0° |
| C07 | C06 | H6 | 120.0° | 120.0° |
| C06 | C07 | H7 | 120.7° | 120.0° |
| C08 | C09 | C10 | 119.7° | 120.0° |
| C08 | C09 | H8 | 120.1° | 120.0° |
| C06 | C05 | C10 | 121.8° | 119.9° |
| C06 | C05 | C03 | 117.8° | 120.0° |
| C05 | C06 | H6 | 120.1° | 120.0° |
| C09 | C10 | C05 | 118.3° | 120.0° |
| C10 | C09 | H8 | 120.2° | 120.0° |
| C09 | C10 | H9 | 120.9° | 120.0° |
| C10 | C05 | C03 | 120.2° | 120.0° |
| C05 | C10 | H9 | 120.8° | 120.0° |
| C05 | C03 | O04 | 122.9° | 120.0° |
| C05 | C03 | C02 | 116.1° | 120.0° |
| O04 | C03 | C02 | 120.9° | 120.0° |
| C03 | C02 | C01 | 110.1° | 109.5° |
| C03 | C02 | H4 | 109.3° | 109.5° |
| C03 | C02 | H5 | 109.3° | 109.4° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 109.3° | 109.4° |
| C01 | C02 | H5 | 109.3° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | O13 | C08 | 176.2° | 179.9° |
| O12 | C11 | C08 | C07 | 20.6° | 0.1° |
| O12 | C11 | C08 | C09 | 158.5° | 180.0° |
| O12 | C11 | O13 | H10 | 0.0° | 0.0° |
| O13 | C11 | C08 | C07 | 163.1° | 180.0° |
| O13 | C11 | C08 | C09 | 17.8° | 0.1° |
| C11 | C08 | C07 | C09 | 179.1° | 179.9° |
| C11 | C08 | C07 | C06 | 177.8° | 179.9° |
| C11 | C08 | C09 | C10 | 177.9° | 180.0° |
| C11 | C08 | C07 | H7 | 2.2° | 0.1° |
| C11 | C08 | C09 | H8 | 2.1° | 0.1° |
| C08 | C11 | O13 | H10 | 176.1° | 180.0° |
| C08 | C07 | C06 | H7 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 2.4° | 0.0° |
| C07 | C08 | C09 | C10 | 1.1° | 0.1° |
| C08 | C07 | C06 | H6 | 177.6° | 180.0° |
| C07 | C08 | C09 | H8 | 178.9° | 180.0° |
| C06 | C07 | C08 | C09 | 1.3° | 0.0° |
| C07 | C06 | C05 | H6 | 180.0° | 180.0° |
| C07 | C06 | C05 | C10 | 3.5° | 0.0° |
| C07 | C06 | C05 | C03 | 178.4° | 179.7° |
| C08 | C09 | C10 | H8 | 180.0° | 180.0° |
| C08 | C09 | C10 | C05 | 2.0° | 0.1° |
| C09 | C08 | C07 | H7 | 178.7° | 180.0° |
| C08 | C09 | C10 | H9 | 178.0° | 179.7° |
| C06 | C05 | C10 | C09 | 3.3° | 0.0° |
| C06 | C05 | C10 | C03 | 174.8° | 179.7° |
| C06 | C05 | C03 | O04 | 60.2° | 179.7° |
| C06 | C05 | C03 | C02 | 116.5° | 0.3° |
| C05 | C06 | C07 | H7 | 177.6° | 180.0° |
| C06 | C05 | C10 | H9 | 176.7° | 179.7° |
| C09 | C10 | C05 | H9 | 180.0° | 179.8° |
| C09 | C10 | C05 | C03 | 178.1° | 179.8° |
| C10 | C05 | C03 | O04 | 124.8° | 0.0° |
| C10 | C05 | C03 | C02 | 58.5° | 180.0° |
| C10 | C05 | C06 | H6 | 176.5° | 180.0° |
| C05 | C10 | C09 | H8 | 178.0° | 180.0° |
| C05 | C03 | O04 | C02 | 176.6° | 180.0° |
| C05 | C03 | C02 | C01 | 152.7° | 180.0° |
| C05 | C03 | C02 | H4 | 87.2° | 60.0° |
| C05 | C03 | C02 | H5 | 32.6° | 60.0° |
| C03 | C05 | C06 | H6 | 1.6° | 0.3° |
| C03 | C05 | C10 | H9 | 1.9° | 0.0° |
| O04 | C03 | C02 | C01 | 24.1° | 0.0° |
| O04 | C03 | C02 | H4 | 96.0° | 120.0° |
| O04 | C03 | C02 | H5 | 144.2° | 120.0° |
| C03 | C02 | C01 | H4 | 120.1° | 120.0° |
| C03 | C02 | C01 | H5 | 120.1° | 120.0° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 180.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | H4 | H5 | 119.7° | 120.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 119.7° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.9° | 180.0° |
| H1 | C01 | C02 | H5 | 59.9° | 60.0° |
| H2 | C01 | C02 | H4 | 179.9° | 60.1° |
| H2 | C01 | C02 | H5 | 60.1° | 60.0° |
| H3 | C01 | C02 | H4 | 60.1° | 60.0° |
| H3 | C01 | C02 | H5 | 179.9° | 180.0° |
| H6 | C06 | C07 | H7 | 2.5° | 0.0° |
| H8 | C09 | C10 | H9 | 2.0° | 0.3° |
