M4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C07 | doub | 1.21Å | 1.26Å | |
| C07 | O09 | sing | 1.35Å | 1.26Å | |
| C07 | C06 | sing | 1.47Å | 1.52Å | |
| C05 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| F12 | C11 | sing | 1.40Å | 1.36Å | |
| C06 | C01 | sing | 1.40Å | 1.38Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C01 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | O10 | sing | 1.36Å | 1.40Å | |
| C11 | F14 | sing | 1.40Å | 1.36Å | |
| C11 | O10 | sing | 1.43Å | 1.39Å | |
| C11 | F13 | sing | 1.40Å | 1.36Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| O09 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C07 | O09 | 120.8° | 120.0° |
| O08 | C07 | C06 | 119.7° | 120.0° |
| O09 | C07 | C06 | 119.4° | 120.0° |
| C07 | O09 | H1 | 109.5° | 117.0° |
| C07 | C06 | C05 | 120.3° | 120.1° |
| C07 | C06 | C01 | 119.3° | 120.1° |
| C06 | C05 | C04 | 120.0° | 119.9° |
| C05 | C06 | C01 | 120.3° | 119.8° |
| C06 | C05 | H051 | 120.0° | 120.1° |
| C05 | C04 | C03 | 119.5° | 120.1° |
| C05 | C04 | H041 | 120.2° | 119.9° |
| C04 | C05 | H051 | 120.0° | 120.0° |
| F12 | C11 | F14 | 110.5° | 109.5° |
| F12 | C11 | O10 | 111.0° | 109.5° |
| F12 | C11 | F13 | 109.6° | 109.5° |
| C06 | C01 | C02 | 119.7° | 119.9° |
| C06 | C01 | H011 | 120.1° | 120.0° |
| C04 | C03 | C02 | 120.0° | 120.2° |
| C04 | C03 | O10 | 123.4° | 119.9° |
| C03 | C04 | H041 | 120.3° | 120.0° |
| C01 | C02 | C03 | 120.4° | 120.1° |
| C02 | C01 | H011 | 120.1° | 120.1° |
| C01 | C02 | H021 | 119.8° | 120.0° |
| C02 | C03 | O10 | 116.6° | 119.9° |
| C03 | C02 | H021 | 119.8° | 119.9° |
| C03 | O10 | C11 | 120.4° | 117.0° |
| F14 | C11 | O10 | 111.0° | 109.4° |
| F14 | C11 | F13 | 108.1° | 109.5° |
| O10 | C11 | F13 | 106.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C07 | O09 | C06 | 177.7° | 179.9° |
| O08 | C07 | C06 | C05 | 11.8° | 0.0° |
| O08 | C07 | C06 | C01 | 167.5° | 179.6° |
| O08 | C07 | O09 | H1 | 0.0° | 0.1° |
| O09 | C07 | C06 | C05 | 170.5° | 179.9° |
| O09 | C07 | C06 | C01 | 10.2° | 0.5° |
| C07 | C06 | C05 | C01 | 179.3° | 179.5° |
| C07 | C06 | C05 | C04 | 179.1° | 180.0° |
| C07 | C06 | C01 | C02 | 179.5° | 180.0° |
| C07 | C06 | C01 | H011 | 0.4° | 0.2° |
| C07 | C06 | C05 | H051 | 0.9° | 0.5° |
| C06 | C07 | O09 | H1 | 177.7° | 180.0° |
| C06 | C05 | C04 | H051 | 180.0° | 179.6° |
| C06 | C05 | C04 | C03 | 0.6° | 0.2° |
| C05 | C06 | C01 | C02 | 0.3° | 0.4° |
| C05 | C06 | C01 | H011 | 179.7° | 179.7° |
| C06 | C05 | C04 | H041 | 179.5° | 179.7° |
| C04 | C05 | C06 | C01 | 0.2° | 0.4° |
| C05 | C04 | C03 | H041 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 0.5° | 0.0° |
| C05 | C04 | C03 | O10 | 179.7° | 180.0° |
| F12 | C11 | O10 | C03 | 56.8° | 60.0° |
| F12 | C11 | F14 | O10 | 123.6° | 120.0° |
| F12 | C11 | F14 | F13 | 119.9° | 120.0° |
| F12 | C11 | O10 | F13 | 119.3° | 120.0° |
| C06 | C01 | C02 | H011 | 180.0° | 179.8° |
| C06 | C01 | C02 | C03 | 0.3° | 0.2° |
| C06 | C01 | C02 | H021 | 179.6° | 179.9° |
| C01 | C06 | C05 | H051 | 179.8° | 180.0° |
| C04 | C03 | C02 | C01 | 0.1° | 0.0° |
| C04 | C03 | C02 | O10 | 179.2° | 180.0° |
| C04 | C03 | O10 | C11 | 15.5° | 0.1° |
| C04 | C03 | C02 | H021 | 180.0° | 179.9° |
| C03 | C04 | C05 | H051 | 179.4° | 179.7° |
| C01 | C02 | C03 | H021 | 180.0° | 179.9° |
| C01 | C02 | C03 | O10 | 179.3° | 180.0° |
| C02 | C03 | O10 | C11 | 165.3° | 180.0° |
| C03 | C02 | C01 | H011 | 179.6° | 180.0° |
| C02 | C03 | C04 | H041 | 179.5° | 180.0° |
| C03 | O10 | C11 | F14 | 66.5° | 60.0° |
| C03 | O10 | C11 | F13 | 176.1° | 180.0° |
| O10 | C03 | C02 | H021 | 0.7° | 0.1° |
| O10 | C03 | C04 | H041 | 0.3° | 0.1° |
| F14 | C11 | O10 | F13 | 117.4° | 120.0° |
| H011 | C01 | C02 | H021 | 0.4° | 0.1° |
| H041 | C04 | C05 | H051 | 0.5° | 0.2° |
