LY8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | O02 | sing | 1.45Å | 1.44Å | |
| O02 | C08 | sing | 1.34Å | 1.43Å | |
| C08 | C07 | sing | 1.51Å | 1.55Å | |
| C08 | O01 | doub | 1.21Å | 1.20Å | |
| C07 | C03 | sing | 1.51Å | 1.55Å | |
| C07 | C10 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.41Å | Aromatic |
| C01 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.08Å | 1.08Å | |
| C02 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | O02 | C08 | 112.9° | 117.0° |
| O02 | C09 | H10 | 109.5° | 109.5° |
| O02 | C09 | H11 | 109.5° | 109.5° |
| O02 | C09 | H12 | 109.5° | 109.5° |
| O02 | C08 | C07 | 109.1° | 120.0° |
| O02 | C08 | O01 | 124.6° | 120.0° |
| C07 | C08 | O01 | 126.3° | 120.0° |
| C08 | C07 | C03 | 109.5° | 109.5° |
| C08 | C07 | C10 | 111.0° | 109.5° |
| C08 | C07 | H9 | 108.4° | 109.5° |
| C03 | C07 | C10 | 110.8° | 109.5° |
| C07 | C03 | C02 | 120.5° | 120.0° |
| C07 | C03 | C04 | 120.6° | 120.0° |
| C03 | C07 | H9 | 108.4° | 109.4° |
| C07 | C10 | H1 | 109.5° | 109.5° |
| C07 | C10 | H2 | 109.5° | 109.4° |
| C07 | C10 | H3 | 109.5° | 109.4° |
| C10 | C07 | H9 | 108.6° | 109.5° |
| C03 | C02 | C01 | 119.4° | 120.0° |
| C02 | C03 | C04 | 118.9° | 120.0° |
| C03 | C02 | H5 | 120.3° | 120.0° |
| C02 | C01 | C06 | 121.3° | 120.0° |
| C02 | C01 | H4 | 119.3° | 120.0° |
| C01 | C02 | H5 | 120.3° | 120.0° |
| C03 | C04 | C05 | 122.0° | 120.0° |
| C03 | C04 | H6 | 119.0° | 120.0° |
| C01 | C06 | C05 | 119.4° | 120.0° |
| C06 | C01 | H4 | 119.4° | 120.1° |
| C01 | C06 | H8 | 120.3° | 120.0° |
| C04 | C05 | C06 | 119.0° | 120.0° |
| C05 | C04 | H6 | 119.0° | 120.0° |
| C04 | C05 | H7 | 120.5° | 120.0° |
| C06 | C05 | H7 | 120.5° | 120.0° |
| C05 | C06 | H8 | 120.3° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H10 | C09 | H11 | 109.5° | 109.5° |
| H10 | C09 | H12 | 109.5° | 109.4° |
| H11 | C09 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | O02 | C08 | C07 | 77.2° | 180.0° |
| C09 | O02 | C08 | O01 | 102.7° | 0.0° |
| O02 | C09 | H10 | H11 | 120.0° | 120.0° |
| O02 | C09 | H10 | H12 | 120.0° | 120.0° |
| O02 | C09 | H11 | H12 | 120.0° | 120.0° |
| O02 | C08 | C07 | O01 | 179.8° | 180.0° |
| O02 | C08 | C07 | C03 | 91.5° | 180.0° |
| O02 | C08 | C07 | C10 | 145.8° | 60.0° |
| O02 | C08 | C07 | H9 | 26.7° | 60.0° |
| C08 | O02 | C09 | H10 | 180.0° | 60.0° |
| C08 | O02 | C09 | H11 | 60.0° | 60.0° |
| C08 | O02 | C09 | H12 | 60.0° | 180.0° |
| C08 | C07 | C03 | C10 | 122.8° | 120.0° |
| C08 | C07 | C03 | H9 | 118.1° | 120.0° |
| C08 | C07 | C10 | H9 | 119.1° | 120.0° |
| C08 | C07 | C03 | C02 | 159.0° | 120.0° |
| C08 | C07 | C03 | C04 | 19.0° | 60.0° |
| C08 | C07 | C10 | H1 | 180.0° | 60.0° |
| C08 | C07 | C10 | H2 | 60.0° | 180.0° |
| C08 | C07 | C10 | H3 | 60.0° | 60.0° |
| O01 | C08 | C07 | C03 | 88.4° | 0.0° |
| O01 | C08 | C07 | C10 | 34.4° | 120.0° |
| O01 | C08 | C07 | H9 | 153.5° | 120.0° |
| C03 | C07 | C10 | H9 | 119.0° | 119.9° |
| C07 | C03 | C02 | C04 | 178.1° | 180.0° |
| C07 | C03 | C02 | C01 | 178.8° | 180.0° |
| C07 | C03 | C04 | C05 | 178.4° | 180.0° |
| C03 | C07 | C10 | H1 | 58.1° | 179.9° |
| C03 | C07 | C10 | H2 | 62.0° | 60.0° |
| C03 | C07 | C10 | H3 | 178.0° | 60.0° |
| C07 | C03 | C02 | H5 | 1.2° | 0.0° |
| C07 | C03 | C04 | H6 | 1.6° | 0.0° |
| C10 | C07 | C03 | C02 | 78.2° | 120.0° |
| C10 | C07 | C03 | C04 | 103.8° | 60.1° |
| C07 | C10 | H1 | H2 | 120.0° | 120.0° |
| C07 | C10 | H1 | H3 | 120.0° | 120.0° |
| C07 | C10 | H2 | H3 | 120.0° | 119.9° |
| C03 | C02 | C01 | H5 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.5° | 0.1° |
| C02 | C03 | C04 | C05 | 0.4° | 0.0° |
| C03 | C02 | C01 | H4 | 179.5° | 179.7° |
| C02 | C03 | C04 | H6 | 179.6° | 179.9° |
| C02 | C03 | C07 | H9 | 40.9° | 0.0° |
| C01 | C02 | C03 | C04 | 0.7° | 0.1° |
| C02 | C01 | C06 | H4 | 180.0° | 179.7° |
| C02 | C01 | C06 | C05 | 0.2° | 0.0° |
| C02 | C01 | C06 | H8 | 179.8° | 179.7° |
| C03 | C04 | C05 | H6 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C04 | C03 | C02 | H5 | 179.3° | 180.0° |
| C03 | C04 | C05 | H7 | 179.7° | 180.0° |
| C04 | C03 | C07 | H9 | 137.1° | 180.0° |
| C01 | C06 | C05 | C04 | 0.5° | 0.0° |
| C01 | C06 | C05 | H8 | 180.0° | 179.6° |
| C06 | C01 | C02 | H5 | 179.5° | 180.0° |
| C01 | C06 | C05 | H7 | 179.5° | 180.0° |
| C04 | C05 | C06 | H7 | 180.0° | 179.9° |
| C04 | C05 | C06 | H8 | 179.5° | 179.6° |
| C05 | C06 | C01 | H4 | 179.9° | 179.7° |
| C06 | C05 | C04 | H6 | 179.8° | 180.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.1° |
| H1 | C10 | C07 | H9 | 60.9° | 60.0° |
| H2 | C10 | C07 | H9 | 179.1° | 60.0° |
| H3 | C10 | C07 | H9 | 59.1° | 179.9° |
| H4 | C01 | C02 | H5 | 0.5° | 0.3° |
| H4 | C01 | C06 | H8 | 0.1° | 0.1° |
| H6 | C04 | C05 | H7 | 0.2° | 0.1° |
| H7 | C05 | C06 | H8 | 0.5° | 0.3° |
| H10 | C09 | H11 | H12 | 120.0° | 119.9° |
