YGV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL09 | C08 | sing | 1.74Å | 1.78Å | |
| C01 | S02 | sing | 1.81Å | 1.82Å | |
| S02 | C03 | sing | 1.76Å | 1.82Å | |
| C08 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL09 | C08 | C03 | 120.5° | 120.0° |
| CL09 | C08 | C07 | 118.7° | 120.1° |
| C01 | S02 | C03 | 109.1° | 103.0° |
| S02 | C01 | H1 | 109.5° | 109.5° |
| S02 | C01 | H2 | 109.5° | 109.5° |
| S02 | C01 | H3 | 109.5° | 109.5° |
| S02 | C03 | C08 | 120.8° | 120.1° |
| S02 | C03 | C04 | 119.7° | 120.1° |
| C03 | C08 | C07 | 120.8° | 119.9° |
| C08 | C03 | C04 | 119.5° | 119.8° |
| C08 | C07 | C06 | 119.6° | 120.1° |
| C08 | C07 | H7 | 120.2° | 120.0° |
| C03 | C04 | C05 | 119.9° | 119.9° |
| C03 | C04 | H4 | 120.1° | 120.0° |
| C07 | C06 | C05 | 119.9° | 120.1° |
| C07 | C06 | H6 | 120.1° | 120.0° |
| C06 | C07 | H7 | 120.2° | 119.9° |
| C04 | C05 | C06 | 120.4° | 120.1° |
| C05 | C04 | H4 | 120.1° | 120.1° |
| C04 | C05 | H5 | 119.8° | 119.9° |
| C06 | C05 | H5 | 119.8° | 120.0° |
| C05 | C06 | H6 | 120.0° | 119.9° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL09 | C08 | C03 | S02 | 0.0° | 0.3° |
| CL09 | C08 | C03 | C07 | 179.8° | 180.0° |
| CL09 | C08 | C03 | C04 | 179.7° | 179.9° |
| CL09 | C08 | C07 | C06 | 179.8° | 180.0° |
| CL09 | C08 | C07 | H7 | 0.2° | 0.1° |
| C01 | S02 | C03 | C08 | 121.3° | 179.7° |
| C01 | S02 | C03 | C04 | 59.0° | 0.1° |
| S02 | C01 | H1 | H2 | 120.0° | 120.0° |
| S02 | C01 | H1 | H3 | 120.0° | 120.0° |
| S02 | C01 | H2 | H3 | 120.0° | 120.0° |
| S02 | C03 | C08 | C04 | 179.7° | 179.7° |
| S02 | C03 | C08 | C07 | 179.9° | 179.7° |
| S02 | C03 | C04 | C05 | 179.8° | 179.7° |
| C03 | S02 | C01 | H1 | 180.0° | 60.0° |
| C03 | S02 | C01 | H2 | 60.0° | 180.0° |
| C03 | S02 | C01 | H3 | 60.0° | 60.0° |
| S02 | C03 | C04 | H4 | 0.2° | 0.4° |
| C03 | C08 | C07 | C06 | 0.1° | 0.0° |
| C08 | C03 | C04 | C05 | 0.1° | 0.0° |
| C08 | C03 | C04 | H4 | 179.9° | 180.0° |
| C03 | C08 | C07 | H7 | 179.9° | 180.0° |
| C07 | C08 | C03 | C04 | 0.1° | 0.0° |
| C08 | C07 | C06 | H7 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 0.1° | 0.0° |
| C08 | C07 | C06 | H6 | 179.9° | 180.0° |
| C03 | C04 | C05 | H4 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C03 | C04 | C05 | H5 | 179.9° | 180.0° |
| C07 | C06 | C05 | C04 | 0.2° | 0.0° |
| C07 | C06 | C05 | H6 | 180.0° | 180.0° |
| C07 | C06 | C05 | H5 | 179.8° | 180.0° |
| C04 | C05 | C06 | H5 | 180.0° | 180.0° |
| C04 | C05 | C06 | H6 | 179.8° | 180.0° |
| C06 | C05 | C04 | H4 | 179.9° | 179.9° |
| C05 | C06 | C07 | H7 | 179.9° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C04 | C05 | H5 | 0.1° | 0.0° |
| H5 | C05 | C06 | H6 | 0.2° | 0.0° |
| H6 | C06 | C07 | H7 | 0.1° | 0.0° |
