GZV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F17 | C16 | sing | 1.35Å | 1.33Å | |
| O09 | C08 | doub | 1.22Å | 1.25Å | |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C16 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| O12 | C11 | sing | 1.35Å | 1.40Å | |
| C08 | C07 | sing | 1.48Å | 1.52Å | |
| C08 | C10 | sing | 1.47Å | 1.49Å | |
| C07 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.35Å | 1.35Å | |
| C11 | C13 | sing | 1.48Å | 1.50Å | |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | F06 | sing | 1.35Å | 1.34Å | |
| O14 | C13 | doub | 1.21Å | 1.26Å | |
| C13 | O15 | sing | 1.35Å | 1.28Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| O12 | H9 | sing | 0.97Å | 0.95Å | |
| O15 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F17 | C16 | C02 | 120.2° | 120.1° |
| F17 | C16 | C07 | 119.4° | 120.1° |
| O09 | C08 | C07 | 118.3° | 120.0° |
| O09 | C08 | C10 | 118.8° | 120.0° |
| C01 | C02 | C16 | 119.3° | 119.9° |
| C01 | C02 | C03 | 120.6° | 119.9° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C16 | C07 | 120.4° | 119.8° |
| C16 | C02 | C03 | 120.1° | 120.2° |
| C16 | C07 | C08 | 118.8° | 120.2° |
| C16 | C07 | C05 | 119.1° | 119.6° |
| C02 | C03 | C04 | 120.0° | 120.4° |
| C02 | C03 | H6 | 120.0° | 119.8° |
| O12 | C11 | C10 | 122.4° | 120.0° |
| O12 | C11 | C13 | 116.9° | 120.0° |
| C11 | O12 | H9 | 109.5° | 114.0° |
| C07 | C08 | C10 | 122.8° | 120.0° |
| C08 | C07 | C05 | 122.0° | 120.2° |
| C08 | C10 | C11 | 121.9° | 120.0° |
| C08 | C10 | H1 | 119.0° | 120.0° |
| C07 | C05 | C04 | 120.6° | 119.8° |
| C07 | C05 | F06 | 120.0° | 120.1° |
| C03 | C04 | C05 | 119.8° | 120.2° |
| C04 | C03 | H6 | 120.0° | 119.8° |
| C03 | C04 | H7 | 120.1° | 119.9° |
| C10 | C11 | C13 | 118.7° | 120.0° |
| C11 | C10 | H1 | 119.0° | 119.9° |
| C11 | C13 | O14 | 119.0° | 120.0° |
| C11 | C13 | O15 | 119.5° | 120.0° |
| C04 | C05 | F06 | 119.5° | 120.1° |
| C05 | C04 | H7 | 120.1° | 119.9° |
| O14 | C13 | O15 | 121.5° | 120.0° |
| C13 | O15 | H10 | 109.5° | 117.0° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F17 | C16 | C02 | C01 | 0.1° | 0.0° |
| F17 | C16 | C02 | C07 | 180.0° | 179.7° |
| F17 | C16 | C02 | C03 | 179.5° | 179.7° |
| F17 | C16 | C07 | C08 | 2.0° | 0.0° |
| F17 | C16 | C07 | C05 | 179.9° | 179.7° |
| O09 | C08 | C07 | C16 | 52.0° | 95.1° |
| O09 | C08 | C07 | C10 | 178.8° | 180.0° |
| O09 | C08 | C07 | C05 | 125.9° | 85.1° |
| O09 | C08 | C10 | C11 | 8.6° | 5.3° |
| O09 | C08 | C10 | H1 | 171.4° | 174.5° |
| C01 | C02 | C16 | C03 | 179.4° | 179.7° |
| C01 | C02 | C16 | C07 | 179.9° | 179.7° |
| C01 | C02 | C03 | C04 | 179.7° | 180.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | C02 | C03 | H6 | 0.3° | 0.0° |
| C02 | C16 | C07 | C08 | 178.0° | 179.7° |
| C02 | C16 | C07 | C05 | 0.0° | 0.5° |
| C16 | C02 | C03 | C04 | 0.9° | 0.2° |
| C16 | C02 | C01 | H3 | 90.3° | 90.3° |
| C16 | C02 | C01 | H4 | 149.7° | 29.7° |
| C16 | C02 | C01 | H5 | 29.7° | 149.7° |
| C16 | C02 | C03 | H6 | 179.1° | 179.7° |
| C07 | C16 | C02 | C03 | 0.5° | 0.5° |
| C16 | C07 | C08 | C05 | 177.9° | 179.7° |
| C16 | C07 | C08 | C10 | 129.3° | 84.9° |
| C16 | C07 | C05 | C04 | 0.3° | 0.3° |
| C16 | C07 | C05 | F06 | 179.7° | 179.8° |
| C02 | C03 | C04 | H6 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.6° | 0.0° |
| C03 | C02 | C01 | H3 | 90.3° | 90.0° |
| C03 | C02 | C01 | H4 | 29.7° | 150.1° |
| C03 | C02 | C01 | H5 | 149.7° | 30.0° |
| C02 | C03 | C04 | H7 | 179.4° | 180.0° |
| O12 | C11 | C10 | C08 | 30.1° | 0.2° |
| O12 | C11 | C10 | C13 | 163.5° | 179.9° |
| O12 | C11 | C13 | O14 | 27.8° | 180.0° |
| O12 | C11 | C13 | O15 | 151.6° | 0.0° |
| O12 | C11 | C10 | H1 | 149.9° | 180.0° |
| C07 | C08 | C10 | C11 | 170.1° | 174.7° |
| C08 | C07 | C05 | C04 | 178.2° | 180.0° |
| C08 | C07 | C05 | F06 | 1.8° | 0.0° |
| C07 | C08 | C10 | H1 | 9.9° | 5.5° |
| C10 | C08 | C07 | C05 | 52.8° | 94.9° |
| C08 | C10 | C11 | H1 | 180.0° | 179.8° |
| C08 | C10 | C11 | C13 | 133.4° | 179.7° |
| C07 | C05 | C04 | C03 | 0.0° | 0.0° |
| C07 | C05 | C04 | F06 | 180.0° | 180.0° |
| C07 | C05 | C04 | H7 | 180.0° | 180.0° |
| C03 | C04 | C05 | H7 | 180.0° | 180.0° |
| C03 | C04 | C05 | F06 | 180.0° | 180.0° |
| C10 | C11 | C13 | O14 | 136.6° | 0.1° |
| C10 | C11 | C13 | O15 | 44.0° | 180.0° |
| C10 | C11 | O12 | H9 | 23.0° | 180.0° |
| C11 | C13 | O14 | O15 | 179.4° | 180.0° |
| C13 | C11 | C10 | H1 | 46.6° | 0.1° |
| C13 | C11 | O12 | H9 | 140.8° | 0.1° |
| C11 | C13 | O15 | H10 | 179.4° | 179.9° |
| C05 | C04 | C03 | H6 | 179.4° | 180.0° |
| F06 | C05 | C04 | H7 | 0.0° | 0.0° |
| O14 | C13 | O15 | H10 | 0.0° | 0.0° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H6 | C03 | C04 | H7 | 0.6° | 0.0° |
