YGS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| C04 | C02 | sing | 1.51Å | 1.53Å | |
| C01 | C02 | doub | 1.31Å | 1.32Å | |
| C02 | C03 | sing | 1.51Å | 1.52Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C07 | H10 | sing | 1.08Å | 1.08Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C09 | C10 | 119.6° | 120.0° |
| C09 | C08 | C07 | 120.1° | 120.0° |
| C09 | C08 | H11 | 120.0° | 120.0° |
| C08 | C09 | H12 | 120.2° | 120.0° |
| C09 | C10 | C05 | 120.4° | 120.0° |
| C09 | C10 | H1 | 119.8° | 120.1° |
| C10 | C09 | H12 | 120.2° | 120.0° |
| C08 | C07 | C06 | 120.2° | 120.0° |
| C08 | C07 | H10 | 119.9° | 120.0° |
| C07 | C08 | H11 | 119.9° | 120.0° |
| C10 | C05 | C06 | 119.9° | 120.0° |
| C10 | C05 | C04 | 120.5° | 120.0° |
| C05 | C10 | H1 | 119.8° | 119.9° |
| C07 | C06 | C05 | 119.8° | 120.0° |
| C07 | C06 | H9 | 120.1° | 120.0° |
| C06 | C07 | H10 | 119.9° | 120.0° |
| C06 | C05 | C04 | 119.5° | 120.0° |
| C05 | C06 | H9 | 120.1° | 120.0° |
| C05 | C04 | C02 | 114.5° | 109.5° |
| C05 | C04 | H7 | 108.2° | 109.5° |
| C05 | C04 | H8 | 108.2° | 109.5° |
| C04 | C02 | C01 | 120.5° | 120.0° |
| C04 | C02 | C03 | 120.2° | 120.0° |
| C02 | C04 | H7 | 108.2° | 109.5° |
| C02 | C04 | H8 | 108.2° | 109.4° |
| C01 | C02 | C03 | 119.3° | 120.0° |
| C02 | C01 | H2 | 120.0° | 120.0° |
| C02 | C01 | H3 | 120.0° | 120.0° |
| C02 | C03 | H4 | 109.5° | 109.5° |
| C02 | C03 | H5 | 109.5° | 109.5° |
| C02 | C03 | H6 | 109.5° | 109.5° |
| H2 | C01 | H3 | 120.0° | 120.0° |
| H4 | C03 | H5 | 109.5° | 109.4° |
| H4 | C03 | H6 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.4° | 109.5° |
| H7 | C04 | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C09 | C10 | H12 | 180.0° | 179.3° |
| C09 | C08 | C07 | H11 | 180.0° | 179.7° |
| C08 | C09 | C10 | C05 | 0.1° | 0.7° |
| C09 | C08 | C07 | C06 | 0.1° | 0.3° |
| C08 | C09 | C10 | H1 | 179.9° | 179.6° |
| C09 | C08 | C07 | H10 | 179.9° | 179.6° |
| C10 | C09 | C08 | C07 | 0.2° | 0.7° |
| C09 | C10 | C05 | H1 | 180.0° | 179.7° |
| C09 | C10 | C05 | C06 | 0.4° | 0.3° |
| C09 | C10 | C05 | C04 | 179.6° | 179.7° |
| C10 | C09 | C08 | H11 | 179.7° | 179.6° |
| C08 | C07 | C06 | H10 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 0.5° | 0.0° |
| C08 | C07 | C06 | H9 | 179.5° | 180.0° |
| C07 | C08 | C09 | H12 | 179.8° | 180.0° |
| C10 | C05 | C06 | C07 | 0.7° | 0.0° |
| C10 | C05 | C06 | C04 | 179.2° | 179.9° |
| C10 | C05 | C04 | C02 | 79.7° | 90.0° |
| C10 | C05 | C04 | H7 | 41.0° | 30.0° |
| C10 | C05 | C04 | H8 | 159.5° | 150.0° |
| C10 | C05 | C06 | H9 | 179.3° | 180.0° |
| C05 | C10 | C09 | H12 | 179.9° | 180.0° |
| C07 | C06 | C05 | H9 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 179.9° | 180.0° |
| C06 | C07 | C08 | H11 | 180.0° | 179.9° |
| C06 | C05 | C04 | C02 | 101.1° | 90.0° |
| C06 | C05 | C10 | H1 | 179.6° | 180.0° |
| C06 | C05 | C04 | H7 | 138.2° | 150.0° |
| C06 | C05 | C04 | H8 | 19.7° | 30.0° |
| C05 | C06 | C07 | H10 | 179.5° | 179.9° |
| C05 | C04 | C02 | H7 | 120.7° | 120.0° |
| C05 | C04 | C02 | H8 | 120.8° | 120.0° |
| C05 | C04 | C02 | C01 | 61.1° | 95.0° |
| C05 | C04 | C02 | C03 | 119.5° | 85.0° |
| C04 | C05 | C10 | H1 | 0.4° | 0.0° |
| C05 | C04 | H7 | H8 | 117.7° | 120.0° |
| C04 | C05 | C06 | H9 | 0.1° | 0.1° |
| C04 | C02 | C01 | C03 | 179.4° | 180.0° |
| C04 | C02 | C01 | H2 | 179.4° | 180.0° |
| C04 | C02 | C01 | H3 | 0.6° | 0.1° |
| C04 | C02 | C03 | H4 | 180.0° | 90.0° |
| C04 | C02 | C03 | H5 | 60.0° | 30.0° |
| C04 | C02 | C03 | H6 | 60.0° | 150.0° |
| C02 | C04 | H7 | H8 | 117.7° | 119.9° |
| C02 | C01 | H2 | H3 | 180.0° | 180.0° |
| C01 | C02 | C03 | H4 | 0.6° | 90.0° |
| C01 | C02 | C03 | H5 | 119.4° | 150.0° |
| C01 | C02 | C03 | H6 | 120.7° | 30.0° |
| C01 | C02 | C04 | H7 | 59.6° | 145.0° |
| C01 | C02 | C04 | H8 | 178.1° | 25.0° |
| C03 | C02 | C01 | H2 | 0.0° | 0.0° |
| C03 | C02 | C01 | H3 | 180.0° | 180.0° |
| C02 | C03 | H4 | H5 | 120.0° | 120.0° |
| C02 | C03 | H4 | H6 | 120.0° | 120.0° |
| C02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C03 | C02 | C04 | H7 | 119.7° | 35.0° |
| C03 | C02 | C04 | H8 | 1.2° | 155.0° |
| H1 | C10 | C09 | H12 | 0.1° | 0.3° |
| H4 | C03 | H5 | H6 | 120.0° | 120.0° |
| H9 | C06 | C07 | H10 | 0.5° | 0.0° |
| H10 | C07 | C08 | H11 | 0.0° | 0.1° |
| H11 | C08 | C09 | H12 | 0.3° | 0.3° |
