Y8G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.33Å | 1.43Å | Aromatic |
| C07 | C08 | doub | 1.33Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| C05 | S09 | sing | 1.76Å | 1.71Å | Aromatic |
| C08 | S09 | sing | 1.76Å | 1.71Å | Aromatic |
| C04 | C03 | sing | 1.53Å | 1.52Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| 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 | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.08Å | 1.08Å | |
| C07 | H11 | sing | 1.08Å | 1.08Å | |
| C08 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | C05 | 111.4° | 114.9° |
| C06 | C07 | C08 | 117.1° | 114.9° |
| C07 | C06 | H10 | 124.3° | 122.5° |
| C06 | C07 | H11 | 121.5° | 122.6° |
| C06 | C05 | C04 | 130.7° | 125.2° |
| C06 | C05 | S09 | 108.0° | 109.6° |
| C05 | C06 | H10 | 124.3° | 122.5° |
| C07 | C08 | S09 | 107.0° | 109.5° |
| C08 | C07 | H11 | 121.4° | 122.5° |
| C07 | C08 | H12 | 126.5° | 125.2° |
| C04 | C05 | S09 | 121.3° | 125.2° |
| C05 | C04 | C03 | 115.0° | 109.5° |
| C05 | C04 | H8 | 108.1° | 109.5° |
| C05 | C04 | H9 | 108.1° | 109.5° |
| C05 | S09 | C08 | 96.5° | 91.0° |
| S09 | C08 | H12 | 126.5° | 125.2° |
| C04 | C03 | C02 | 114.2° | 109.5° |
| C04 | C03 | H6 | 108.3° | 109.5° |
| C04 | C03 | H7 | 108.3° | 109.5° |
| C03 | C04 | H8 | 108.1° | 109.5° |
| C03 | C04 | H9 | 108.1° | 109.4° |
| C03 | C02 | C01 | 113.3° | 109.5° |
| C03 | C02 | H4 | 108.5° | 109.5° |
| C03 | C02 | H5 | 108.5° | 109.5° |
| C02 | C03 | H6 | 108.3° | 109.4° |
| C02 | C03 | H7 | 108.3° | 109.4° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.5° | 109.5° |
| C01 | C02 | H5 | 108.5° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | C05 | H10 | 180.0° | 179.9° |
| C06 | C07 | C08 | H11 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 179.4° | 180.0° |
| C07 | C06 | C05 | S09 | 0.5° | 0.3° |
| C06 | C07 | C08 | S09 | 0.1° | 0.2° |
| C06 | C07 | C08 | H12 | 179.9° | 180.0° |
| C05 | C06 | C07 | C08 | 0.3° | 0.0° |
| C06 | C05 | C04 | S09 | 179.8° | 179.7° |
| C06 | C05 | S09 | C08 | 0.4° | 0.3° |
| C06 | C05 | C04 | C03 | 70.3° | 90.3° |
| C06 | C05 | C04 | H8 | 50.5° | 29.7° |
| C06 | C05 | C04 | H9 | 168.8° | 149.7° |
| C05 | C06 | C07 | H11 | 179.7° | 180.0° |
| C07 | C08 | S09 | C05 | 0.3° | 0.3° |
| C07 | C08 | S09 | H12 | 180.0° | 179.8° |
| C08 | C07 | C06 | H10 | 179.7° | 180.0° |
| C04 | C05 | S09 | C08 | 179.4° | 179.9° |
| C05 | C04 | C03 | H8 | 120.8° | 120.0° |
| C05 | C04 | C03 | H9 | 120.8° | 120.0° |
| C05 | C04 | C03 | C02 | 56.9° | 180.0° |
| C05 | C04 | C03 | H6 | 63.8° | 60.0° |
| C05 | C04 | C03 | H7 | 177.6° | 60.0° |
| C05 | C04 | H8 | H9 | 117.5° | 120.0° |
| C04 | C05 | C06 | H10 | 0.7° | 0.1° |
| S09 | C05 | C04 | C03 | 109.9° | 90.0° |
| S09 | C05 | C04 | H8 | 129.3° | 150.0° |
| S09 | C05 | C04 | H9 | 10.9° | 30.0° |
| S09 | C05 | C06 | H10 | 179.5° | 179.8° |
| C05 | S09 | C08 | H12 | 179.7° | 179.9° |
| S09 | C08 | C07 | H11 | 179.9° | 179.8° |
| C04 | C03 | C02 | H6 | 120.7° | 120.0° |
| C04 | C03 | C02 | H7 | 120.7° | 120.0° |
| C04 | C03 | C02 | C01 | 75.9° | NaN° |
| C04 | C03 | C02 | H4 | 44.7° | 60.0° |
| C04 | C03 | C02 | H5 | 163.6° | 60.0° |
| C04 | C03 | H6 | H7 | 117.8° | 120.1° |
| C03 | C04 | H8 | H9 | 117.5° | 120.0° |
| C03 | C02 | C01 | H4 | 120.6° | 120.0° |
| C03 | C02 | C01 | H5 | 120.6° | 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 | 118.3° | 120.0° |
| C02 | C03 | H6 | H7 | 117.9° | 120.0° |
| C02 | C03 | C04 | H8 | 177.8° | 60.0° |
| C02 | C03 | C04 | H9 | 63.9° | 60.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.1° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 118.2° | 120.0° |
| C01 | C02 | C03 | H6 | 163.4° | 60.0° |
| C01 | C02 | C03 | H7 | 44.8° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H1 | C01 | C02 | H4 | 59.4° | 180.0° |
| H1 | C01 | C02 | H5 | 59.4° | 60.0° |
| H2 | C01 | C02 | H4 | 179.5° | 60.0° |
| H2 | C01 | C02 | H5 | 60.6° | 60.0° |
| H3 | C01 | C02 | H4 | 60.5° | 60.0° |
| H3 | C01 | C02 | H5 | 179.4° | 180.0° |
| H4 | C02 | C03 | H6 | 76.0° | 180.0° |
| H4 | C02 | C03 | H7 | 165.3° | 60.0° |
| H5 | C02 | C03 | H6 | 42.9° | 60.0° |
| H5 | C02 | C03 | H7 | 75.8° | 180.0° |
| H6 | C03 | C04 | H8 | 57.0° | 179.9° |
| H6 | C03 | C04 | H9 | 175.4° | 60.0° |
| H7 | C03 | C04 | H8 | 61.5° | 60.0° |
| H7 | C03 | C04 | H9 | 56.8° | 180.0° |
| H10 | C06 | C07 | H11 | 0.3° | 0.0° |
| H11 | C07 | C08 | H12 | 0.1° | 0.1° |
