WL1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | doub | 1.37Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| S11 | C08 | sing | 1.76Å | 1.81Å | |
| C08 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| O04 | C03 | doub | 1.22Å | 1.19Å | |
| C05 | C03 | sing | 1.47Å | 1.53Å | |
| C05 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | O02 | sing | 1.35Å | 1.41Å | |
| C09 | C10 | sing | 1.37Å | 1.39Å | Aromatic |
| O02 | C01 | sing | 1.45Å | 1.40Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| S11 | H8 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C07 | C08 | 120.0° | 120.1° |
| C07 | C06 | C05 | 119.9° | 119.9° |
| C07 | C06 | H5 | 120.1° | 120.0° |
| C06 | C07 | H6 | 120.0° | 120.0° |
| C07 | C08 | S11 | 121.7° | 119.9° |
| C07 | C08 | C09 | 119.8° | 120.1° |
| C08 | C07 | H6 | 120.0° | 120.0° |
| C06 | C05 | C03 | 121.5° | 120.1° |
| C06 | C05 | C10 | 119.5° | 119.9° |
| C05 | C06 | H5 | 120.0° | 120.1° |
| S11 | C08 | C09 | 118.4° | 119.9° |
| C08 | S11 | H8 | 102.0° | 103.0° |
| C08 | C09 | C10 | 120.4° | 120.1° |
| C08 | C09 | H7 | 119.8° | 119.9° |
| O04 | C03 | C05 | 119.6° | 120.0° |
| O04 | C03 | O02 | 121.3° | 120.0° |
| C03 | C05 | C10 | 119.0° | 120.1° |
| C05 | C03 | O02 | 119.2° | 120.0° |
| C05 | C10 | C09 | 120.3° | 119.9° |
| C05 | C10 | H1 | 119.8° | 120.0° |
| C03 | O02 | C01 | 116.5° | 117.0° |
| C09 | C10 | H1 | 119.8° | 120.1° |
| C10 | C09 | H7 | 119.8° | 120.0° |
| O02 | C01 | H2 | 109.5° | 109.5° |
| O02 | C01 | H3 | 109.4° | 109.5° |
| O02 | C01 | H4 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H4 | 109.4° | 109.4° |
| H3 | C01 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C07 | C08 | H6 | 180.0° | 180.0° |
| C07 | C06 | C05 | H5 | 180.0° | 180.0° |
| C06 | C07 | C08 | S11 | 179.8° | 180.0° |
| C06 | C07 | C08 | C09 | 0.0° | 0.3° |
| C07 | C06 | C05 | C03 | 179.7° | 180.0° |
| C07 | C06 | C05 | C10 | 0.0° | 0.0° |
| C08 | C07 | C06 | C05 | 0.0° | 0.0° |
| C07 | C08 | S11 | C09 | 179.7° | 179.7° |
| C07 | C08 | C09 | C10 | 0.0° | 0.6° |
| C08 | C07 | C06 | H5 | 180.0° | 180.0° |
| C07 | C08 | C09 | H7 | 180.0° | 180.0° |
| C07 | C08 | S11 | H8 | 180.0° | 90.0° |
| C06 | C05 | C03 | O04 | 4.3° | 180.0° |
| C06 | C05 | C03 | C10 | 179.7° | 180.0° |
| C06 | C05 | C03 | O02 | 174.4° | 0.0° |
| C06 | C05 | C10 | C09 | 0.0° | 0.3° |
| C06 | C05 | C10 | H1 | 180.0° | 180.0° |
| C05 | C06 | C07 | H6 | 180.0° | 180.0° |
| S11 | C08 | C09 | C10 | 179.8° | 179.7° |
| S11 | C08 | C07 | H6 | 0.3° | 0.0° |
| S11 | C08 | C09 | H7 | 0.2° | 0.3° |
| C08 | C09 | C10 | C05 | 0.0° | 0.6° |
| C08 | C09 | C10 | H7 | 180.0° | 179.4° |
| C08 | C09 | C10 | H1 | 180.0° | 179.7° |
| C09 | C08 | C07 | H6 | 180.0° | 179.7° |
| C09 | C08 | S11 | H8 | 0.3° | 89.7° |
| O04 | C03 | C05 | O02 | 178.7° | 180.0° |
| O04 | C03 | C05 | C10 | 176.0° | 0.0° |
| O04 | C03 | O02 | C01 | 39.9° | 0.0° |
| C03 | C05 | C10 | C09 | 179.7° | 179.7° |
| C05 | C03 | O02 | C01 | 141.4° | 180.0° |
| C03 | C05 | C10 | H1 | 0.3° | 0.0° |
| C03 | C05 | C06 | H5 | 0.3° | 0.0° |
| C10 | C05 | C03 | O02 | 5.3° | 180.0° |
| C05 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C05 | C06 | H5 | 180.0° | 180.0° |
| C05 | C10 | C09 | H7 | 180.0° | 180.0° |
| C03 | O02 | C01 | H2 | 180.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 179.9° |
| C03 | O02 | C01 | H4 | 60.0° | 60.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H4 | 120.0° | 120.0° |
| O02 | C01 | H3 | H4 | 120.0° | 120.0° |
| H1 | C10 | C09 | H7 | 0.0° | 0.3° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H5 | C06 | C07 | H6 | 0.0° | 0.0° |
