X7F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.22Å | 1.19Å | |
| O09 | C08 | sing | 1.36Å | 1.40Å | |
| C02 | C03 | sing | 1.48Å | 1.51Å | |
| C02 | C07 | sing | 1.47Å | 1.56Å | |
| C03 | C04 | doub | 1.34Å | 1.49Å | |
| C08 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.42Å | Aromatic |
| C04 | C05 | sing | 1.48Å | 1.51Å | |
| C06 | C05 | sing | 1.47Å | 1.56Å | |
| C06 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C05 | O14 | doub | 1.22Å | 1.19Å | |
| C12 | O13 | sing | 1.36Å | 1.40Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| O09 | H5 | sing | 0.97Å | 0.95Å | |
| O13 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 120.1° | 120.4° |
| O01 | C02 | C07 | 119.9° | 120.4° |
| O09 | C08 | C07 | 120.0° | 120.1° |
| O09 | C08 | C10 | 120.0° | 120.2° |
| C08 | O09 | H5 | 109.5° | 114.1° |
| C03 | C02 | C07 | 120.0° | 119.2° |
| C02 | C03 | C04 | 119.7° | 120.5° |
| C02 | C03 | H1 | 120.1° | 119.7° |
| C02 | C07 | C08 | 120.0° | 121.4° |
| C02 | C07 | C06 | 120.1° | 119.0° |
| C03 | C04 | C05 | 120.2° | 120.5° |
| C04 | C03 | H1 | 120.1° | 119.8° |
| C03 | C04 | H2 | 119.9° | 119.8° |
| C07 | C08 | C10 | 120.0° | 119.7° |
| C08 | C07 | C06 | 119.9° | 119.7° |
| C08 | C10 | C11 | 120.1° | 120.7° |
| C08 | C10 | H3 | 120.0° | 119.6° |
| C07 | C06 | C05 | 120.4° | 118.9° |
| C07 | C06 | C12 | 120.1° | 119.7° |
| C10 | C11 | C12 | 120.0° | 120.7° |
| C11 | C10 | H3 | 119.9° | 119.7° |
| C10 | C11 | H4 | 120.0° | 119.6° |
| C04 | C05 | C06 | 119.6° | 119.2° |
| C04 | C05 | O14 | 120.6° | 120.4° |
| C05 | C04 | H2 | 119.9° | 119.8° |
| C05 | C06 | C12 | 119.4° | 121.4° |
| C06 | C05 | O14 | 119.8° | 120.4° |
| C06 | C12 | C11 | 119.9° | 119.7° |
| C06 | C12 | O13 | 119.5° | 120.2° |
| C11 | C12 | O13 | 120.7° | 120.2° |
| C12 | C11 | H4 | 120.0° | 119.7° |
| C12 | O13 | H6 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C07 | 180.0° | 179.8° |
| O01 | C02 | C03 | C04 | 179.8° | 166.6° |
| O01 | C02 | C07 | C08 | 0.1° | 13.2° |
| O01 | C02 | C07 | C06 | 180.0° | 166.9° |
| O01 | C02 | C03 | H1 | 0.2° | 13.4° |
| O09 | C08 | C07 | C02 | 0.1° | 0.0° |
| O09 | C08 | C07 | C10 | 179.9° | 180.0° |
| O09 | C08 | C07 | C06 | 179.9° | 180.0° |
| O09 | C08 | C10 | C11 | 180.0° | 180.0° |
| O09 | C08 | C10 | H3 | 0.0° | 0.0° |
| C02 | C03 | C04 | H1 | 180.0° | 180.0° |
| C03 | C02 | C07 | C08 | 179.9° | 166.6° |
| C03 | C02 | C07 | C06 | 0.0° | 13.4° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C02 | C03 | C04 | H2 | 179.8° | 179.9° |
| C07 | C02 | C03 | C04 | 0.2° | 13.6° |
| C02 | C07 | C08 | C06 | 180.0° | 180.0° |
| C02 | C07 | C08 | C10 | 180.0° | 180.0° |
| C02 | C07 | C06 | C05 | 0.2° | 0.0° |
| C02 | C07 | C06 | C12 | 179.8° | 180.0° |
| C07 | C02 | C03 | H1 | 179.8° | 166.4° |
| C03 | C04 | C05 | H2 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.0° | 13.6° |
| C03 | C04 | C05 | O14 | 179.9° | 166.4° |
| C07 | C08 | C10 | C11 | 0.1° | 0.0° |
| C08 | C07 | C06 | C05 | 179.7° | 180.0° |
| C08 | C07 | C06 | C12 | 0.1° | 0.0° |
| C07 | C08 | C10 | H3 | 179.9° | 180.0° |
| C07 | C08 | O09 | H5 | 0.1° | 90.0° |
| C10 | C08 | C07 | C06 | 0.0° | 0.0° |
| C08 | C10 | C11 | H3 | 180.0° | 180.0° |
| C08 | C10 | C11 | C12 | 0.0° | 0.0° |
| C08 | C10 | C11 | H4 | 180.0° | 179.9° |
| C10 | C08 | O09 | H5 | 179.9° | 90.0° |
| C07 | C06 | C05 | C04 | 0.2° | 13.4° |
| C07 | C06 | C05 | C12 | 179.6° | 180.0° |
| C07 | C06 | C12 | C11 | 0.2° | 0.0° |
| C07 | C06 | C05 | O14 | 179.9° | 166.5° |
| C07 | C06 | C12 | O13 | 180.0° | 180.0° |
| C10 | C11 | C12 | C06 | 0.1° | 0.1° |
| C10 | C11 | C12 | H4 | 180.0° | 179.9° |
| C10 | C11 | C12 | O13 | 179.9° | 180.0° |
| C04 | C05 | C06 | O14 | 179.9° | 180.0° |
| C04 | C05 | C06 | C12 | 179.8° | 166.6° |
| C05 | C04 | C03 | H1 | 179.8° | 180.0° |
| C05 | C06 | C12 | C11 | 179.8° | 180.0° |
| C05 | C06 | C12 | O13 | 0.3° | 0.0° |
| C06 | C05 | C04 | H2 | 180.0° | 166.4° |
| C06 | C12 | C11 | O13 | 179.8° | 179.9° |
| C12 | C06 | C05 | O14 | 0.3° | 13.4° |
| C06 | C12 | C11 | H4 | 179.9° | 180.0° |
| C06 | C12 | O13 | H6 | 0.2° | 90.0° |
| C12 | C11 | C10 | H3 | 179.9° | 180.0° |
| C11 | C12 | O13 | H6 | 180.0° | 90.1° |
| O14 | C05 | C04 | H2 | 0.1° | 13.6° |
| O13 | C12 | C11 | H4 | 0.0° | 0.1° |
| H1 | C03 | C04 | H2 | 0.2° | 0.1° |
| H3 | C10 | C11 | H4 | 0.0° | 0.1° |
