E0T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.40Å | 1.41Å | Aromatic |
| O03 | C02 | doub | 1.22Å | 1.27Å | |
| C11 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C02 | O01 | sing | 1.35Å | 1.26Å | |
| C02 | C04 | sing | 1.46Å | 1.52Å | |
| O16 | C04 | sing | 1.35Å | 1.35Å | Aromatic |
| O16 | C07 | sing | 1.34Å | 1.33Å | Aromatic |
| C08 | C07 | sing | 1.48Å | 1.45Å | |
| C08 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | CL1 | sing | 1.74Å | 1.70Å | |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.37Å | 1.37Å | Aromatic |
| C14 | CL2 | sing | 1.74Å | 1.72Å | |
| C05 | C06 | sing | 1.40Å | 1.42Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| O01 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 119.8° | 120.2° |
| C10 | C09 | C08 | 120.9° | 119.9° |
| C09 | C10 | H1 | 120.1° | 119.9° |
| C10 | C09 | H4 | 119.6° | 120.0° |
| C10 | C11 | C12 | 118.0° | 120.3° |
| C11 | C10 | H1 | 120.1° | 119.9° |
| C10 | C11 | H5 | 121.0° | 119.8° |
| C09 | C08 | C07 | 117.7° | 120.1° |
| C09 | C08 | C14 | 118.2° | 119.7° |
| C08 | C09 | H4 | 119.5° | 120.1° |
| O03 | C02 | O01 | 126.7° | 120.0° |
| O03 | C02 | C04 | 116.3° | 120.0° |
| C11 | C12 | C14 | 123.4° | 120.1° |
| C11 | C12 | CL1 | 118.3° | 119.9° |
| C12 | C11 | H5 | 121.0° | 119.9° |
| O01 | C02 | C04 | 116.9° | 120.0° |
| C02 | O01 | H6 | 109.5° | 113.9° |
| C02 | C04 | O16 | 118.3° | 126.0° |
| C02 | C04 | C05 | 131.4° | 125.9° |
| C04 | O16 | C07 | 107.7° | 109.3° |
| O16 | C04 | C05 | 110.3° | 108.1° |
| O16 | C07 | C08 | 117.4° | 125.6° |
| O16 | C07 | C06 | 110.8° | 108.7° |
| C07 | C08 | C14 | 123.8° | 120.1° |
| C08 | C07 | C06 | 131.3° | 125.7° |
| C08 | C14 | C12 | 119.7° | 119.8° |
| C08 | C14 | CL2 | 123.1° | 120.1° |
| C14 | C12 | CL1 | 118.3° | 119.9° |
| C12 | C14 | CL2 | 117.1° | 120.1° |
| C04 | C05 | C06 | 104.8° | 106.8° |
| C04 | C05 | H2 | 127.6° | 126.6° |
| C07 | C06 | C05 | 106.3° | 107.1° |
| C07 | C06 | H3 | 126.8° | 126.4° |
| C06 | C05 | H2 | 127.6° | 126.6° |
| C05 | C06 | H3 | 126.9° | 126.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C10 | C09 | C08 | H4 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 0.3° | 0.0° |
| C10 | C09 | C08 | C07 | 177.2° | 180.0° |
| C10 | C09 | C08 | C14 | 3.6° | 0.0° |
| C09 | C10 | C11 | H5 | 179.7° | 180.0° |
| C11 | C10 | C09 | C08 | 2.0° | 0.0° |
| C10 | C11 | C12 | H5 | 180.0° | 180.0° |
| C10 | C11 | C12 | C14 | 0.2° | 0.0° |
| C10 | C11 | C12 | CL1 | 179.0° | 180.0° |
| C11 | C10 | C09 | H4 | 178.0° | 179.9° |
| C09 | C08 | C07 | O16 | 19.7° | 130.3° |
| C09 | C08 | C07 | C14 | 173.2° | 180.0° |
| C09 | C08 | C14 | C12 | 3.5° | 0.0° |
| C09 | C08 | C07 | C06 | 151.2° | 50.0° |
| C09 | C08 | C14 | CL2 | 179.0° | 180.0° |
| C08 | C09 | C10 | H1 | 177.9° | 179.8° |
| O03 | C02 | O01 | C04 | 177.0° | 179.9° |
| O03 | C02 | C04 | O16 | 9.2° | 179.7° |
| O03 | C02 | C04 | C05 | 171.9° | 0.0° |
| O03 | C02 | O01 | H6 | 0.0° | 0.0° |
| C11 | C12 | C14 | C08 | 1.8° | 0.0° |
| C11 | C12 | C14 | CL1 | 179.2° | 180.0° |
| C11 | C12 | C14 | CL2 | 179.5° | 180.0° |
| C12 | C11 | C10 | H1 | 179.7° | 179.7° |
| O01 | C02 | C04 | O16 | 168.1° | 0.4° |
| O01 | C02 | C04 | C05 | 10.8° | 180.0° |
| C02 | C04 | O16 | C05 | 179.1° | 179.7° |
| C02 | C04 | O16 | C07 | 178.9° | 179.8° |
| C02 | C04 | C05 | C06 | 179.3° | 180.0° |
| C02 | C04 | C05 | H2 | 0.7° | 0.1° |
| C04 | C02 | O01 | H6 | 177.1° | 180.0° |
| C04 | O16 | C07 | C08 | 175.6° | 179.8° |
| C04 | O16 | C07 | C06 | 2.9° | 0.5° |
| O16 | C04 | C05 | C06 | 0.3° | 0.3° |
| O16 | C04 | C05 | H2 | 179.7° | 179.8° |
| O16 | C07 | C08 | C06 | 171.0° | 179.7° |
| O16 | C07 | C08 | C14 | 167.1° | 49.7° |
| C07 | O16 | C04 | C05 | 2.0° | 0.5° |
| O16 | C07 | C06 | C05 | 2.6° | 0.3° |
| O16 | C07 | C06 | H3 | 177.4° | 179.7° |
| C07 | C08 | C14 | C12 | 176.6° | 180.0° |
| C07 | C08 | C14 | CL2 | 5.8° | 0.0° |
| C08 | C07 | C06 | C05 | 174.1° | 180.0° |
| C08 | C07 | C06 | H3 | 6.0° | 0.0° |
| C07 | C08 | C09 | H4 | 2.8° | 0.1° |
| C08 | C14 | C12 | CL2 | 177.7° | 180.0° |
| C08 | C14 | C12 | CL1 | 177.3° | 180.0° |
| C14 | C08 | C07 | C06 | 22.0° | 130.0° |
| C14 | C08 | C09 | H4 | 176.4° | 179.9° |
| C14 | C12 | C11 | H5 | 179.8° | 180.0° |
| CL1 | C12 | C14 | CL2 | 0.4° | 0.0° |
| CL1 | C12 | C11 | H5 | 1.0° | 0.0° |
| C04 | C05 | C06 | C07 | 1.4° | 0.0° |
| C04 | C05 | C06 | H2 | 180.0° | 179.9° |
| C04 | C05 | C06 | H3 | 178.7° | 180.0° |
| C07 | C06 | C05 | H3 | 180.0° | 180.0° |
| C07 | C06 | C05 | H2 | 178.6° | 179.9° |
| H1 | C10 | C09 | H4 | 2.0° | 0.3° |
| H1 | C10 | C11 | H5 | 0.3° | 0.2° |
| H2 | C05 | C06 | H3 | 1.4° | 0.1° |
