BFM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.43Å | 1.43Å | |
| F08 | C06 | sing | 1.40Å | 1.36Å | |
| F09 | C06 | sing | 1.40Å | 1.32Å | |
| C06 | C02 | sing | 1.53Å | 1.44Å | |
| C06 | F07 | sing | 1.40Å | 1.37Å | |
| C02 | C03 | sing | 1.51Å | 1.56Å | |
| C02 | C10 | sing | 1.53Å | 1.58Å | |
| O05 | C03 | doub | 1.21Å | 1.20Å | |
| F11 | C10 | sing | 1.40Å | 1.28Å | |
| C03 | O04 | sing | 1.34Å | 1.24Å | |
| C10 | F12 | sing | 1.40Å | 1.34Å | |
| C10 | F13 | sing | 1.40Å | 1.32Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| O04 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C06 | 105.0° | 109.5° |
| O01 | C02 | C03 | 113.2° | 109.5° |
| O01 | C02 | C10 | 115.0° | 109.4° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| F08 | C06 | F09 | 109.9° | 109.5° |
| F08 | C06 | C02 | 110.8° | 109.4° |
| F08 | C06 | F07 | 107.8° | 109.5° |
| F09 | C06 | C02 | 108.5° | 109.5° |
| F09 | C06 | F07 | 108.1° | 109.5° |
| C02 | C06 | F07 | 111.6° | 109.5° |
| C06 | C02 | C03 | 109.4° | 109.5° |
| C06 | C02 | C10 | 100.7° | 109.5° |
| C03 | C02 | C10 | 112.4° | 109.4° |
| C02 | C03 | O05 | 110.7° | 120.0° |
| C02 | C03 | O04 | 115.7° | 120.0° |
| C02 | C10 | F11 | 114.4° | 109.4° |
| C02 | C10 | F12 | 116.2° | 109.5° |
| C02 | C10 | F13 | 109.6° | 109.5° |
| O05 | C03 | O04 | 133.6° | 120.0° |
| F11 | C10 | F12 | 100.7° | 109.5° |
| F11 | C10 | F13 | 110.2° | 109.5° |
| C03 | O04 | H2 | 109.5° | 117.0° |
| F12 | C10 | F13 | 105.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C06 | F08 | 49.4° | 180.0° |
| O01 | C02 | C06 | F09 | 71.4° | 60.1° |
| O01 | C02 | C06 | C03 | 121.8° | 120.0° |
| O01 | C02 | C06 | C10 | 119.7° | 120.0° |
| O01 | C02 | C06 | F07 | 169.6° | 60.0° |
| O01 | C02 | C03 | C10 | 132.3° | 120.0° |
| O01 | C02 | C03 | O05 | 31.2° | 145.0° |
| O01 | C02 | C10 | F11 | 13.6° | 60.0° |
| O01 | C02 | C03 | O04 | 148.0° | 35.0° |
| O01 | C02 | C10 | F12 | 103.2° | 60.0° |
| O01 | C02 | C10 | F13 | 137.9° | 180.0° |
| F08 | C06 | F09 | C02 | 121.4° | 120.0° |
| F08 | C06 | F09 | F07 | 117.4° | 120.0° |
| F08 | C06 | C02 | F07 | 120.2° | 120.0° |
| F08 | C06 | C02 | C03 | 171.2° | 60.0° |
| F08 | C06 | C02 | C10 | 70.3° | 60.0° |
| F09 | C06 | C02 | F07 | 119.0° | 120.1° |
| F09 | C06 | C02 | C03 | 50.4° | 60.0° |
| F09 | C06 | C02 | C10 | 168.9° | 180.0° |
| C06 | C02 | C03 | C10 | 111.0° | 120.0° |
| C06 | C02 | C03 | O05 | 147.9° | 95.0° |
| C06 | C02 | C10 | F11 | 125.9° | 60.0° |
| C06 | C02 | C03 | O04 | 31.3° | 85.0° |
| C06 | C02 | C10 | F12 | 9.1° | 180.0° |
| C06 | C02 | C10 | F13 | 109.8° | 60.0° |
| C06 | C02 | O01 | H1 | 134.0° | 180.0° |
| F07 | C06 | C02 | C03 | 68.6° | 179.9° |
| F07 | C06 | C02 | C10 | 49.9° | 60.0° |
| C02 | C03 | O05 | O04 | 179.1° | 180.0° |
| C03 | C02 | C10 | F11 | 117.8° | 180.0° |
| C03 | C02 | C10 | F12 | 125.4° | 60.0° |
| C03 | C02 | C10 | F13 | 6.5° | 60.0° |
| C03 | C02 | O01 | H1 | 14.8° | 59.9° |
| C02 | C03 | O04 | H2 | 179.0° | 180.0° |
| C10 | C02 | C03 | O05 | 101.1° | 25.0° |
| C02 | C10 | F11 | F12 | 125.4° | 120.0° |
| C02 | C10 | F11 | F13 | 124.0° | 119.9° |
| C10 | C02 | C03 | O04 | 79.7° | 155.0° |
| C02 | C10 | F12 | F13 | 121.3° | 120.0° |
| C10 | C02 | O01 | H1 | 116.2° | 60.0° |
| O05 | C03 | O04 | H2 | 0.0° | 0.0° |
| F11 | C10 | F12 | F13 | 114.5° | 120.0° |
