A1DIW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | F01 | sing | 1.40Å | 1.37Å | |
| F03 | C02 | sing | 1.40Å | 1.37Å | |
| F05 | C04 | sing | 1.40Å | 1.37Å | |
| F06 | C04 | sing | 1.40Å | 1.37Å | |
| F07 | C04 | sing | 1.40Å | 1.37Å | |
| C04 | C02 | sing | 1.53Å | 1.54Å | |
| C08 | C02 | sing | 1.53Å | 1.54Å | |
| F09 | C08 | sing | 1.40Å | 1.37Å | |
| F10 | C08 | sing | 1.40Å | 1.37Å | |
| C11 | C08 | sing | 1.53Å | 1.54Å | |
| F12 | C11 | sing | 1.40Å | 1.37Å | |
| F13 | C11 | sing | 1.40Å | 1.37Å | |
| C14 | C11 | sing | 1.53Å | 1.55Å | |
| F15 | C14 | sing | 1.40Å | 1.37Å | |
| F16 | C14 | sing | 1.40Å | 1.37Å | |
| C17 | C14 | sing | 1.51Å | 1.54Å | |
| O18 | C17 | sing | 1.34Å | 1.26Å | |
| O19 | C17 | doub | 1.21Å | 1.26Å | |
| O18 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C02 | F03 | 108.1° | 109.4° |
| F01 | C02 | C04 | 107.6° | 109.5° |
| F01 | C02 | C08 | 106.5° | 109.5° |
| F03 | C02 | C04 | 109.3° | 109.5° |
| F03 | C02 | C08 | 109.4° | 109.5° |
| F05 | C04 | F06 | 110.3° | 109.4° |
| F05 | C04 | F07 | 108.8° | 109.5° |
| F05 | C04 | C02 | 109.9° | 109.5° |
| F06 | C04 | F07 | 108.1° | 109.5° |
| F06 | C04 | C02 | 110.2° | 109.5° |
| F07 | C04 | C02 | 109.6° | 109.5° |
| C04 | C02 | C08 | 115.5° | 109.5° |
| C02 | C08 | F09 | 108.4° | 109.4° |
| C02 | C08 | F10 | 106.4° | 109.4° |
| C02 | C08 | C11 | 118.2° | 109.5° |
| F09 | C08 | F10 | 106.8° | 109.5° |
| F09 | C08 | C11 | 109.2° | 109.5° |
| F10 | C08 | C11 | 107.1° | 109.5° |
| C08 | C11 | F12 | 104.6° | 109.4° |
| C08 | C11 | F13 | 110.0° | 109.5° |
| C08 | C11 | C14 | 117.0° | 109.4° |
| F12 | C11 | F13 | 107.9° | 109.5° |
| F12 | C11 | C14 | 106.2° | 109.5° |
| F13 | C11 | C14 | 110.6° | 109.5° |
| C11 | C14 | F15 | 111.4° | 109.5° |
| C11 | C14 | F16 | 108.6° | 109.5° |
| C11 | C14 | C17 | 111.8° | 109.4° |
| F15 | C14 | F16 | 109.0° | 109.5° |
| F15 | C14 | C17 | 108.9° | 109.5° |
| F16 | C14 | C17 | 107.1° | 109.4° |
| C14 | C17 | O18 | 119.3° | 120.0° |
| C14 | C17 | O19 | 122.0° | 120.0° |
| O18 | C17 | O19 | 118.6° | 120.0° |
| C17 | O18 | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C02 | F03 | C04 | 116.9° | 120.0° |
| F01 | C02 | F03 | C08 | 115.7° | 119.9° |
| F01 | C02 | C04 | F05 | 176.3° | 60.1° |
| F01 | C02 | C04 | F06 | 62.0° | 180.0° |
| F01 | C02 | C04 | F07 | 56.9° | 60.0° |
| F01 | C02 | C04 | C08 | 118.9° | 120.0° |
| F01 | C02 | C08 | F09 | 68.5° | 60.1° |
| F01 | C02 | C08 | F10 | 46.0° | 180.0° |
| F01 | C02 | C08 | C11 | 166.5° | 60.0° |
| F03 | C02 | C04 | F05 | 59.1° | 180.0° |
| F03 | C02 | C04 | F06 | 179.2° | 60.1° |
| F03 | C02 | C04 | F07 | 60.3° | 60.0° |
| F03 | C02 | C04 | C08 | 123.9° | 120.0° |
| F03 | C02 | C08 | F09 | 48.2° | 180.0° |
| F03 | C02 | C08 | F10 | 162.7° | 60.0° |
| F03 | C02 | C08 | C11 | 76.8° | 60.0° |
| F05 | C04 | F06 | F07 | 118.8° | 120.0° |
| F05 | C04 | F06 | C02 | 121.5° | 120.0° |
| F05 | C04 | F07 | C02 | 120.1° | 120.0° |
| F05 | C04 | C02 | C08 | 64.8° | 59.9° |
| F06 | C04 | F07 | C02 | 120.1° | 120.0° |
| F06 | C04 | C02 | C08 | 56.9° | 60.0° |
| F07 | C04 | C02 | C08 | 175.8° | 180.0° |
| C04 | C02 | C08 | F09 | 172.0° | 60.0° |
| C04 | C02 | C08 | F10 | 73.5° | 60.0° |
| C04 | C02 | C08 | C11 | 47.0° | 180.0° |
| C02 | C08 | F09 | F10 | 114.3° | 120.0° |
| C02 | C08 | F09 | C11 | 130.1° | 120.0° |
| C02 | C08 | F10 | C11 | 127.4° | 120.0° |
| C02 | C08 | C11 | F12 | 170.2° | 60.0° |
| C02 | C08 | C11 | F13 | 54.6° | 60.0° |
| C02 | C08 | C11 | C14 | 72.7° | 180.0° |
| F09 | C08 | F10 | C11 | 116.9° | 120.0° |
| F09 | C08 | C11 | F12 | 65.2° | 180.0° |
| F09 | C08 | C11 | F13 | 179.2° | 60.0° |
| F09 | C08 | C11 | C14 | 51.9° | 60.1° |
| F10 | C08 | C11 | F12 | 50.0° | 60.0° |
| F10 | C08 | C11 | F13 | 65.6° | 180.0° |
| F10 | C08 | C11 | C14 | 167.2° | 60.0° |
| C08 | C11 | F12 | F13 | 117.1° | 120.0° |
| C08 | C11 | F12 | C14 | 124.3° | 119.9° |
| C08 | C11 | F13 | C14 | 130.7° | 120.0° |
| C08 | C11 | C14 | F15 | 30.3° | 60.0° |
| C08 | C11 | C14 | F16 | 89.7° | 60.1° |
| C08 | C11 | C14 | C17 | 152.3° | 180.0° |
| F12 | C11 | F13 | C14 | 115.8° | 120.0° |
| F12 | C11 | C14 | F15 | 146.5° | 60.0° |
| F12 | C11 | C14 | F16 | 26.5° | 180.0° |
| F12 | C11 | C14 | C17 | 91.4° | 60.1° |
| F13 | C11 | C14 | F15 | 96.7° | 180.0° |
| F13 | C11 | C14 | F16 | 143.3° | 60.0° |
| F13 | C11 | C14 | C17 | 25.4° | 60.0° |
| C11 | C14 | F15 | F16 | 119.8° | 120.0° |
| C11 | C14 | F15 | C17 | 123.7° | 120.0° |
| C11 | C14 | F16 | C17 | 120.9° | 119.9° |
| C11 | C14 | C17 | O18 | 154.8° | 155.0° |
| C11 | C14 | C17 | O19 | 25.1° | 25.1° |
| F15 | C14 | F16 | C17 | 117.6° | 120.0° |
| F15 | C14 | C17 | O18 | 81.7° | 85.0° |
| F15 | C14 | C17 | O19 | 98.4° | 95.0° |
| F16 | C14 | C17 | O18 | 36.0° | 35.0° |
| F16 | C14 | C17 | O19 | 143.9° | 145.0° |
| C14 | C17 | O18 | O19 | 179.9° | 179.9° |
| C14 | C17 | O18 | H1 | 179.9° | 179.9° |
| O19 | C17 | O18 | H1 | 0.0° | 0.0° |
