LE0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.42Å | Aromatic |
| C11 | C06 | sing | 1.38Å | 1.42Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.49Å | |
| C06 | C07 | doub | 1.38Å | 1.41Å | Aromatic |
| O03 | C02 | doub | 1.21Å | 1.27Å | |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C12 | sing | 1.51Å | 1.47Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C02 | sing | 1.51Å | 1.42Å | |
| C04 | C16 | sing | 1.51Å | 1.48Å | |
| F14 | C12 | sing | 1.40Å | 1.39Å | |
| C02 | O01 | sing | 1.34Å | 1.29Å | |
| C12 | F15 | sing | 1.40Å | 1.40Å | |
| C12 | F13 | sing | 1.40Å | 1.41Å | |
| O17 | C16 | doub | 1.21Å | 1.26Å | |
| C16 | O18 | sing | 1.34Å | 1.29Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| O01 | H8 | sing | 0.97Å | 0.95Å | |
| O18 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 119.8° | 119.9° |
| C10 | C11 | C06 | 120.6° | 120.0° |
| C11 | C10 | H1 | 120.1° | 120.1° |
| C10 | C11 | H7 | 119.7° | 120.0° |
| C10 | C09 | C08 | 118.4° | 120.0° |
| C09 | C10 | H1 | 120.1° | 120.0° |
| C10 | C09 | H6 | 120.8° | 120.0° |
| C11 | C06 | C05 | 121.2° | 120.0° |
| C11 | C06 | C07 | 118.9° | 120.0° |
| C06 | C11 | H7 | 119.7° | 120.0° |
| C09 | C08 | C07 | 122.3° | 120.0° |
| C09 | C08 | C12 | 120.4° | 120.0° |
| C08 | C09 | H6 | 120.8° | 120.0° |
| C05 | C06 | C07 | 119.7° | 119.9° |
| C06 | C05 | C04 | 108.8° | 109.5° |
| C06 | C05 | H3 | 109.7° | 109.5° |
| C06 | C05 | H4 | 109.7° | 109.5° |
| C06 | C07 | C08 | 120.0° | 120.0° |
| C06 | C07 | H5 | 120.0° | 120.1° |
| O03 | C02 | C04 | 119.7° | 120.0° |
| O03 | C02 | O01 | 118.7° | 120.0° |
| C07 | C08 | C12 | 117.3° | 120.0° |
| C08 | C07 | H5 | 120.0° | 120.0° |
| C08 | C12 | F14 | 116.6° | 109.5° |
| C08 | C12 | F15 | 118.6° | 109.5° |
| C08 | C12 | F13 | 115.6° | 109.5° |
| C05 | C04 | C02 | 111.2° | 109.5° |
| C05 | C04 | C16 | 112.3° | 109.5° |
| C05 | C04 | H2 | 107.3° | 109.5° |
| C04 | C05 | H3 | 109.6° | 109.5° |
| C04 | C05 | H4 | 109.6° | 109.5° |
| C02 | C04 | C16 | 109.4° | 109.4° |
| C04 | C02 | O01 | 121.5° | 120.0° |
| C02 | C04 | H2 | 108.7° | 109.5° |
| C04 | C16 | O17 | 121.1° | 120.0° |
| C04 | C16 | O18 | 122.0° | 120.0° |
| C16 | C04 | H2 | 107.9° | 109.5° |
| F14 | C12 | F15 | 101.2° | 109.5° |
| F14 | C12 | F13 | 102.3° | 109.4° |
| C02 | O01 | H8 | 109.5° | 117.1° |
| F15 | C12 | F13 | 99.7° | 109.4° |
| O17 | C16 | O18 | 117.0° | 120.0° |
| C16 | O18 | H9 | 109.5° | 117.1° |
| H3 | C05 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H1 | 180.0° | 179.8° |
| C10 | C11 | C06 | H7 | 180.0° | 179.9° |
| C11 | C10 | C09 | C08 | 0.7° | 0.1° |
| C10 | C11 | C06 | C05 | 177.9° | 180.0° |
| C10 | C11 | C06 | C07 | 2.0° | 0.0° |
| C11 | C10 | C09 | H6 | 179.3° | 180.0° |
| C09 | C10 | C11 | C06 | 1.3° | 0.0° |
| C10 | C09 | C08 | H6 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 1.0° | 0.1° |
| C10 | C09 | C08 | C12 | 179.2° | 179.9° |
| C09 | C10 | C11 | H7 | 178.8° | 180.0° |
| C11 | C06 | C05 | C07 | 175.9° | 180.0° |
| C11 | C06 | C07 | C08 | 2.2° | 0.0° |
| C11 | C06 | C05 | C04 | 82.3° | 90.0° |
| C06 | C11 | C10 | H1 | 178.8° | 179.7° |
| C11 | C06 | C05 | H3 | 37.6° | 150.0° |
| C11 | C06 | C05 | H4 | 157.8° | 30.0° |
| C11 | C06 | C07 | H5 | 177.8° | 179.9° |
| C09 | C08 | C07 | C06 | 1.7° | 0.1° |
| C09 | C08 | C07 | C12 | 178.3° | 179.8° |
| C09 | C08 | C12 | F14 | 33.5° | 150.1° |
| C09 | C08 | C12 | F15 | 87.9° | 89.8° |
| C09 | C08 | C12 | F13 | 153.8° | 30.1° |
| C08 | C09 | C10 | H1 | 179.3° | 179.7° |
| C09 | C08 | C07 | H5 | 178.3° | 179.9° |
| C05 | C06 | C07 | C08 | 178.2° | 179.9° |
| C06 | C05 | C04 | H3 | 119.9° | 120.1° |
| C06 | C05 | C04 | H4 | 119.9° | 120.0° |
| C06 | C05 | C04 | C02 | 165.5° | 65.0° |
| C06 | C05 | C04 | C16 | 71.6° | 175.0° |
| C06 | C05 | C04 | H2 | 46.8° | 55.0° |
| C06 | C05 | H3 | H4 | 120.3° | 120.0° |
| C05 | C06 | C07 | H5 | 1.8° | 0.1° |
| C05 | C06 | C11 | H7 | 2.1° | 0.0° |
| C06 | C07 | C08 | H5 | 180.0° | 180.0° |
| C06 | C07 | C08 | C12 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 93.6° | 90.0° |
| C07 | C06 | C05 | H3 | 146.6° | 30.0° |
| C07 | C06 | C05 | H4 | 26.3° | 150.0° |
| C07 | C06 | C11 | H7 | 178.0° | 180.0° |
| O03 | C02 | C04 | C05 | 42.8° | 120.0° |
| O03 | C02 | C04 | O01 | 177.9° | 180.0° |
| O03 | C02 | C04 | C16 | 167.4° | 0.0° |
| O03 | C02 | C04 | H2 | 75.0° | 120.0° |
| O03 | C02 | O01 | H8 | 0.0° | 0.0° |
| C07 | C08 | C12 | F14 | 144.8° | 30.0° |
| C07 | C08 | C12 | F15 | 93.8° | 90.0° |
| C07 | C08 | C12 | F13 | 24.5° | 150.0° |
| C07 | C08 | C09 | H6 | 179.1° | 180.0° |
| C08 | C12 | F14 | F15 | 130.2° | 120.1° |
| C08 | C12 | F14 | F13 | 127.1° | 120.0° |
| C08 | C12 | F15 | F13 | 126.4° | 120.0° |
| C12 | C08 | C07 | H5 | 0.0° | 0.1° |
| C12 | C08 | C09 | H6 | 0.8° | 0.1° |
| C05 | C04 | C02 | C16 | 124.6° | 120.0° |
| C05 | C04 | C02 | H2 | 117.8° | 120.1° |
| C05 | C04 | C16 | H2 | 118.0° | 120.1° |
| C05 | C04 | C02 | O01 | 135.1° | 60.0° |
| C05 | C04 | C16 | O17 | 131.2° | 0.0° |
| C05 | C04 | C16 | O18 | 48.6° | 180.0° |
| C04 | C05 | H3 | H4 | 120.3° | 120.0° |
| C02 | C04 | C16 | H2 | 118.1° | 119.9° |
| C02 | C04 | C16 | O17 | 104.9° | 120.0° |
| C02 | C04 | C16 | O18 | 75.3° | 60.0° |
| C02 | C04 | C05 | H3 | 45.6° | 55.0° |
| C02 | C04 | C05 | H4 | 74.6° | 175.0° |
| C04 | C02 | O01 | H8 | 177.9° | 180.0° |
| C16 | C04 | C02 | O01 | 10.5° | 180.0° |
| C04 | C16 | O17 | O18 | 179.9° | 180.0° |
| C16 | C04 | C05 | H3 | 168.5° | 65.0° |
| C16 | C04 | C05 | H4 | 48.3° | 55.0° |
| C04 | C16 | O18 | H9 | 179.9° | 180.0° |
| F14 | C12 | F15 | F13 | 104.8° | 120.0° |
| O01 | C02 | C04 | H2 | 107.1° | 60.1° |
| O17 | C16 | C04 | H2 | 13.2° | 120.0° |
| O17 | C16 | O18 | H9 | 0.0° | 0.0° |
| O18 | C16 | C04 | H2 | 166.7° | 59.9° |
| H1 | C10 | C09 | H6 | 0.7° | 0.3° |
| H1 | C10 | C11 | H7 | 1.2° | 0.2° |
| H2 | C04 | C05 | H3 | 73.1° | 175.0° |
| H2 | C04 | C05 | H4 | 166.7° | 65.0° |
