DZ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S13 | C04 | sing | 1.76Å | 1.73Å | |
| O01 | C02 | doub | 1.22Å | 1.26Å | |
| C04 | C02 | sing | 1.47Å | 1.53Å | |
| C04 | C05 | doub | 1.35Å | 1.37Å | |
| C02 | O03 | sing | 1.35Å | 1.27Å | |
| C07 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.47Å | 1.47Å | |
| C06 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C09 | F10 | sing | 1.35Å | 1.37Å | |
| C09 | C11 | doub | 1.39Å | 1.35Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| S13 | H7 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S13 | C04 | C02 | 118.3° | 120.0° |
| S13 | C04 | C05 | 121.7° | 120.0° |
| C04 | S13 | H7 | 102.0° | 103.0° |
| O01 | C02 | C04 | 119.5° | 120.0° |
| O01 | C02 | O03 | 121.8° | 120.0° |
| C02 | C04 | C05 | 120.0° | 120.0° |
| C04 | C02 | O03 | 118.3° | 120.0° |
| C04 | C05 | C06 | 128.9° | 120.0° |
| C04 | C05 | H2 | 115.6° | 120.0° |
| C02 | O03 | H1 | 109.5° | 117.0° |
| C08 | C07 | C06 | 122.7° | 119.9° |
| C07 | C08 | C09 | 117.3° | 120.1° |
| C08 | C07 | H3 | 118.6° | 120.0° |
| C07 | C08 | H4 | 121.3° | 120.0° |
| C07 | C06 | C05 | 126.4° | 120.2° |
| C07 | C06 | C12 | 115.3° | 119.7° |
| C06 | C07 | H3 | 118.7° | 120.1° |
| C08 | C09 | F10 | 118.7° | 119.9° |
| C08 | C09 | C11 | 123.7° | 120.3° |
| C09 | C08 | H4 | 121.4° | 119.9° |
| C05 | C06 | C12 | 118.3° | 120.1° |
| C06 | C05 | H2 | 115.5° | 119.9° |
| C06 | C12 | C11 | 123.7° | 119.8° |
| C06 | C12 | H6 | 118.2° | 120.1° |
| F10 | C09 | C11 | 117.6° | 119.8° |
| C09 | C11 | C12 | 117.3° | 120.2° |
| C09 | C11 | H5 | 121.4° | 120.0° |
| C12 | C11 | H5 | 121.4° | 119.9° |
| C11 | C12 | H6 | 118.2° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S13 | C04 | C02 | O01 | 13.9° | 179.9° |
| S13 | C04 | C02 | C05 | 178.0° | 180.0° |
| S13 | C04 | C02 | O03 | 173.4° | 0.3° |
| S13 | C04 | C05 | C06 | 4.0° | 9.2° |
| S13 | C04 | C05 | H2 | 176.0° | 170.8° |
| O01 | C02 | C04 | O03 | 172.7° | 179.6° |
| O01 | C02 | C04 | C05 | 164.1° | 0.1° |
| O01 | C02 | O03 | H1 | 0.0° | 0.1° |
| C02 | C04 | C05 | C06 | 174.0° | 170.8° |
| C04 | C02 | O03 | H1 | 172.5° | 179.7° |
| C02 | C04 | C05 | H2 | 6.0° | 9.1° |
| C02 | C04 | S13 | H7 | 180.0° | 174.1° |
| C05 | C04 | C02 | O03 | 8.6° | 179.7° |
| C04 | C05 | C06 | C07 | 46.4° | 40.5° |
| C04 | C05 | C06 | H2 | 180.0° | 179.9° |
| C04 | C05 | C06 | C12 | 134.1° | 139.7° |
| C05 | C04 | S13 | H7 | 2.0° | 5.9° |
| C08 | C07 | C06 | H3 | 180.0° | 180.0° |
| C07 | C08 | C09 | H4 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 179.2° | 180.0° |
| C08 | C07 | C06 | C12 | 1.4° | 0.2° |
| C07 | C08 | C09 | F10 | 179.7° | 180.0° |
| C07 | C08 | C09 | C11 | 1.3° | 0.1° |
| C06 | C07 | C08 | C09 | 1.4° | 0.0° |
| C07 | C06 | C05 | C12 | 179.4° | 179.8° |
| C07 | C06 | C12 | C11 | 1.3° | 0.4° |
| C07 | C06 | C05 | H2 | 133.6° | 139.4° |
| C06 | C07 | C08 | H4 | 178.6° | 180.0° |
| C07 | C06 | C12 | H6 | 178.7° | 179.7° |
| C08 | C09 | F10 | C11 | 179.0° | 179.9° |
| C08 | C09 | C11 | C12 | 1.3° | 0.2° |
| C09 | C08 | C07 | H3 | 178.6° | 180.0° |
| C08 | C09 | C11 | H5 | 178.7° | 179.9° |
| C05 | C06 | C12 | C11 | 179.2° | 179.8° |
| C05 | C06 | C07 | H3 | 0.8° | 0.0° |
| C05 | C06 | C12 | H6 | 0.8° | 0.1° |
| C06 | C12 | C11 | C09 | 1.3° | 0.4° |
| C06 | C12 | C11 | H6 | 180.0° | 179.8° |
| C12 | C06 | C05 | H2 | 45.9° | 40.4° |
| C12 | C06 | C07 | H3 | 178.6° | 179.8° |
| C06 | C12 | C11 | H5 | 178.7° | 179.8° |
| F10 | C09 | C11 | C12 | 179.7° | 179.8° |
| F10 | C09 | C08 | H4 | 0.3° | 0.0° |
| F10 | C09 | C11 | H5 | 0.3° | 0.0° |
| C09 | C11 | C12 | H5 | 180.0° | 179.8° |
| C11 | C09 | C08 | H4 | 178.6° | 179.9° |
| C09 | C11 | C12 | H6 | 178.7° | 179.8° |
| H3 | C07 | C08 | H4 | 1.4° | 0.0° |
| H5 | C11 | C12 | H6 | 1.3° | 0.0° |
