A1BLY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F17 | C10 | sing | 1.40Å | 1.37Å | |
| F19 | C10 | sing | 1.40Å | 1.36Å | |
| F16 | C9 | sing | 1.40Å | 1.37Å | |
| C10 | F18 | sing | 1.40Å | 1.37Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| F14 | C8 | sing | 1.40Å | 1.37Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | F15 | sing | 1.40Å | 1.37Å | |
| F9 | C6 | sing | 1.40Å | 1.37Å | |
| C8 | F13 | sing | 1.40Å | 1.37Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| F3 | C3 | sing | 1.40Å | 1.37Å | |
| F10 | C6 | sing | 1.40Å | 1.37Å | |
| O1 | C1 | doub | 1.21Å | 1.26Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| F5 | C4 | sing | 1.40Å | 1.37Å | |
| C7 | F12 | sing | 1.40Å | 1.37Å | |
| C7 | F11 | sing | 1.40Å | 1.37Å | |
| C1 | O2 | sing | 1.34Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | F4 | sing | 1.40Å | 1.37Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | F6 | sing | 1.40Å | 1.37Å | |
| C5 | F8 | sing | 1.40Å | 1.37Å | |
| C5 | F7 | sing | 1.40Å | 1.37Å | |
| C2 | F2 | sing | 1.40Å | 1.37Å | |
| C2 | F1 | sing | 1.40Å | 1.36Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F17 | C10 | F19 | 109.3° | 109.5° |
| F17 | C10 | F18 | 109.4° | 109.4° |
| F17 | C10 | C9 | 109.7° | 109.5° |
| F19 | C10 | F18 | 108.7° | 109.5° |
| F19 | C10 | C9 | 110.1° | 109.5° |
| F16 | C9 | C10 | 109.7° | 109.5° |
| F16 | C9 | C8 | 110.6° | 109.5° |
| F16 | C9 | F15 | 109.0° | 109.5° |
| F18 | C10 | C9 | 109.6° | 109.5° |
| C10 | C9 | C8 | 109.4° | 109.5° |
| C10 | C9 | F15 | 108.6° | 109.5° |
| F14 | C8 | C9 | 110.2° | 109.4° |
| F14 | C8 | F13 | 108.6° | 109.4° |
| F14 | C8 | C7 | 109.0° | 109.5° |
| C8 | C9 | F15 | 109.5° | 109.4° |
| C9 | C8 | F13 | 106.0° | 109.5° |
| C9 | C8 | C7 | 115.2° | 109.5° |
| F9 | C6 | F10 | 109.2° | 109.4° |
| F9 | C6 | C7 | 110.1° | 109.4° |
| F9 | C6 | C5 | 109.0° | 109.5° |
| F13 | C8 | C7 | 107.5° | 109.5° |
| C8 | C7 | C6 | 115.8° | 109.5° |
| C8 | C7 | F12 | 107.4° | 109.5° |
| C8 | C7 | F11 | 108.6° | 109.5° |
| F3 | C3 | C4 | 109.1° | 109.4° |
| F3 | C3 | F4 | 109.3° | 109.5° |
| F3 | C3 | C2 | 109.4° | 109.5° |
| F10 | C6 | C7 | 110.0° | 109.5° |
| F10 | C6 | C5 | 110.7° | 109.5° |
| O1 | C1 | O2 | 120.3° | 120.0° |
| O1 | C1 | C2 | 120.0° | 120.0° |
| C7 | C6 | C5 | 107.8° | 109.5° |
| C6 | C7 | F12 | 107.8° | 109.4° |
| C6 | C7 | F11 | 109.2° | 109.5° |
| C6 | C5 | C4 | 114.2° | 109.5° |
| C6 | C5 | F8 | 107.4° | 109.5° |
| C6 | C5 | F7 | 109.8° | 109.5° |
| F5 | C4 | C3 | 109.9° | 109.4° |
| F5 | C4 | C5 | 109.5° | 109.5° |
| F5 | C4 | F6 | 108.4° | 109.4° |
| F12 | C7 | F11 | 107.8° | 109.5° |
| O2 | C1 | C2 | 119.7° | 120.0° |
| C1 | O2 | H1 | 109.5° | 116.9° |
| C1 | C2 | C3 | 109.5° | 109.5° |
| C1 | C2 | F2 | 109.4° | 109.4° |
| C1 | C2 | F1 | 108.4° | 109.4° |
| C4 | C3 | F4 | 110.1° | 109.5° |
| C4 | C3 | C2 | 111.6° | 109.5° |
| C3 | C4 | C5 | 112.4° | 109.5° |
| C3 | C4 | F6 | 108.3° | 109.5° |
| F4 | C3 | C2 | 107.3° | 109.5° |
| C3 | C2 | F2 | 110.2° | 109.5° |
| C3 | C2 | F1 | 108.3° | 109.5° |
| C5 | C4 | F6 | 108.1° | 109.5° |
| C4 | C5 | F8 | 108.5° | 109.5° |
| C4 | C5 | F7 | 108.7° | 109.5° |
| F8 | C5 | F7 | 108.1° | 109.5° |
| F2 | C2 | F1 | 111.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F17 | C10 | F19 | F18 | 119.3° | 119.9° |
| F17 | C10 | F19 | C9 | 120.6° | 120.1° |
| F17 | C10 | C9 | F16 | 37.0° | 180.0° |
| F17 | C10 | F18 | C9 | 120.4° | 120.0° |
| F17 | C10 | C9 | C8 | 158.4° | 59.9° |
| F17 | C10 | C9 | F15 | 82.1° | 60.0° |
| F19 | C10 | C9 | F16 | 83.3° | 60.0° |
| F19 | C10 | F18 | C9 | 120.4° | 120.0° |
| F19 | C10 | C9 | C8 | 38.1° | 180.0° |
| F19 | C10 | C9 | F15 | 157.6° | 60.0° |
| F16 | C9 | C10 | F18 | 157.1° | 60.0° |
| F16 | C9 | C10 | C8 | 121.4° | 120.0° |
| F16 | C9 | C10 | F15 | 119.1° | 120.0° |
| F16 | C9 | C8 | F14 | 45.1° | 60.0° |
| F16 | C9 | C8 | F15 | 120.2° | 120.0° |
| F16 | C9 | C8 | F13 | 162.5° | 180.0° |
| F16 | C9 | C8 | C7 | 78.7° | 60.0° |
| F18 | C10 | C9 | C8 | 81.5° | 60.0° |
| F18 | C10 | C9 | F15 | 38.1° | 180.0° |
| C10 | C9 | C8 | F14 | 75.8° | 60.0° |
| C10 | C9 | C8 | F15 | 118.9° | 120.0° |
| C10 | C9 | C8 | F13 | 41.6° | 59.9° |
| C10 | C9 | C8 | C7 | 160.4° | 180.0° |
| F14 | C8 | C9 | F13 | 117.4° | 119.9° |
| F14 | C8 | C9 | C7 | 123.8° | 120.0° |
| F14 | C8 | C9 | F15 | 165.3° | 180.0° |
| F14 | C8 | F13 | C7 | 117.8° | 120.0° |
| F14 | C8 | C7 | C6 | 69.1° | 60.0° |
| F14 | C8 | C7 | F12 | 51.4° | 180.0° |
| F14 | C8 | C7 | F11 | 167.6° | 60.0° |
| C9 | C8 | F13 | C7 | 123.7° | 120.1° |
| C9 | C8 | C7 | C6 | 55.4° | 180.0° |
| C9 | C8 | C7 | F12 | 175.9° | 60.1° |
| C9 | C8 | C7 | F11 | 67.9° | 60.0° |
| F15 | C9 | C8 | F13 | 77.3° | 60.1° |
| F15 | C9 | C8 | C7 | 41.5° | 60.0° |
| F9 | C6 | C7 | C8 | 54.8° | 60.0° |
| F9 | C6 | F10 | C7 | 120.9° | 119.9° |
| F9 | C6 | F10 | C5 | 120.0° | 120.0° |
| F9 | C6 | C7 | C5 | 118.8° | 120.0° |
| F9 | C6 | C7 | F12 | 65.5° | 180.0° |
| F9 | C6 | C7 | F11 | 177.7° | 60.0° |
| F9 | C6 | C5 | C4 | 56.5° | 60.0° |
| F9 | C6 | C5 | F8 | 63.9° | NaN° |
| F9 | C6 | C5 | F7 | 178.9° | 60.0° |
| F13 | C8 | C7 | C6 | 173.4° | 59.9° |
| F13 | C8 | C7 | F12 | 66.2° | 60.0° |
| F13 | C8 | C7 | F11 | 50.1° | 180.0° |
| C8 | C7 | C6 | F10 | 65.6° | 59.9° |
| C8 | C7 | C6 | F12 | 120.2° | 120.0° |
| C8 | C7 | C6 | F11 | 122.9° | 120.0° |
| C8 | C7 | C6 | C5 | 173.6° | 180.0° |
| C8 | C7 | F12 | F11 | 116.8° | 120.0° |
| F3 | C3 | C4 | F5 | 29.6° | 180.0° |
| F3 | C3 | C2 | C1 | 35.4° | 60.0° |
| F3 | C3 | C4 | F4 | 120.0° | 119.9° |
| F3 | C3 | C4 | C2 | 121.0° | 120.0° |
| F3 | C3 | F4 | C2 | 118.6° | 120.0° |
| F3 | C3 | C4 | C5 | 92.7° | 60.0° |
| F3 | C3 | C4 | F6 | 147.9° | 60.1° |
| F3 | C3 | C2 | F2 | 85.1° | 60.0° |
| F3 | C3 | C2 | F1 | 153.3° | 180.0° |
| F10 | C6 | C7 | C5 | 120.8° | 120.1° |
| F10 | C6 | C7 | F12 | 174.2° | 60.0° |
| F10 | C6 | C7 | F11 | 57.3° | 180.0° |
| F10 | C6 | C5 | C4 | 63.7° | 60.0° |
| F10 | C6 | C5 | F8 | 176.0° | 60.0° |
| F10 | C6 | C5 | F7 | 58.7° | 180.0° |
| O1 | C1 | O2 | C2 | 179.9° | 179.7° |
| O1 | C1 | C2 | C3 | 99.9° | 24.7° |
| O1 | C1 | C2 | F2 | 21.0° | 144.7° |
| O1 | C1 | C2 | F1 | 142.2° | 95.3° |
| O1 | C1 | O2 | H1 | 0.0° | 0.3° |
| C6 | C7 | F12 | F11 | 117.8° | 120.0° |
| C7 | C6 | C5 | C4 | 175.9° | 180.0° |
| C7 | C6 | C5 | F8 | 55.6° | 60.0° |
| C7 | C6 | C5 | F7 | 61.7° | 60.0° |
| C6 | C5 | C4 | F5 | 59.0° | 60.0° |
| C5 | C6 | C7 | F12 | 53.4° | 60.0° |
| C5 | C6 | C7 | F11 | 63.5° | 60.0° |
| C6 | C5 | C4 | C3 | 63.6° | 180.0° |
| C6 | C5 | C4 | F8 | 119.7° | 120.0° |
| C6 | C5 | C4 | F7 | 123.0° | 120.0° |
| C6 | C5 | C4 | F6 | 176.9° | 60.0° |
| C6 | C5 | F8 | F7 | 118.4° | 120.0° |
| F5 | C4 | C3 | C5 | 122.3° | 120.0° |
| F5 | C4 | C3 | F6 | 118.3° | 119.9° |
| F5 | C4 | C3 | F4 | 149.5° | 60.1° |
| F5 | C4 | C3 | C2 | 91.4° | 60.0° |
| F5 | C4 | C5 | F6 | 118.0° | 120.0° |
| F5 | C4 | C5 | F8 | 60.8° | 60.0° |
| F5 | C4 | C5 | F7 | 178.1° | 180.0° |
| O2 | C1 | C2 | C3 | 80.2° | 155.0° |
| O2 | C1 | C2 | F2 | 158.9° | 34.9° |
| O2 | C1 | C2 | F1 | 37.7° | 85.0° |
| C1 | C2 | C3 | C4 | 156.2° | 180.0° |
| C1 | C2 | C3 | F4 | 83.2° | 60.0° |
| C1 | C2 | C3 | F2 | 120.4° | 120.0° |
| C1 | C2 | C3 | F1 | 117.9° | 120.0° |
| C1 | C2 | F2 | F1 | 119.6° | 119.9° |
| C2 | C1 | O2 | H1 | 179.9° | 180.0° |
| C4 | C3 | F4 | C2 | 121.6° | 120.0° |
| C3 | C4 | C5 | F6 | 119.5° | 120.0° |
| C3 | C4 | C5 | F8 | 176.7° | 60.0° |
| C3 | C4 | C5 | F7 | 59.4° | 60.0° |
| C4 | C3 | C2 | F2 | 35.7° | 60.0° |
| C4 | C3 | C2 | F1 | 85.9° | 60.0° |
| F4 | C3 | C4 | C5 | 27.3° | 59.9° |
| F4 | C3 | C4 | F6 | 92.1° | 180.0° |
| F4 | C3 | C2 | F2 | 156.4° | 180.0° |
| F4 | C3 | C2 | F1 | 34.8° | 60.0° |
| C2 | C3 | C4 | C5 | 146.3° | 180.0° |
| C2 | C3 | C4 | F6 | 26.9° | 59.9° |
| C3 | C2 | F2 | F1 | 120.0° | 120.0° |
| C4 | C5 | F8 | F7 | 117.7° | 120.0° |
| F6 | C4 | C5 | F8 | 57.2° | 180.0° |
| F6 | C4 | C5 | F7 | 60.1° | 60.0° |
