A1IPI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F7 | C1 | sing | 1.40Å | 1.35Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.43Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| F2 | C3 | sing | 1.40Å | 1.34Å | |
| F4 | C4 | sing | 1.40Å | 1.34Å | |
| F6 | C4 | sing | 1.40Å | 1.33Å | |
| C3 | F3 | sing | 1.40Å | 1.34Å | |
| C3 | F1 | sing | 1.40Å | 1.33Å | |
| C4 | F5 | sing | 1.40Å | 1.34Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F7 | C1 | O1 | 111.0° | 109.5° |
| F7 | C1 | H1 | 109.1° | 109.4° |
| F7 | C1 | H2 | 109.1° | 109.4° |
| C1 | O1 | C2 | 115.2° | 114.0° |
| O1 | C1 | H1 | 109.1° | 109.5° |
| O1 | C1 | H2 | 109.1° | 109.4° |
| O1 | C2 | C3 | 107.3° | 109.5° |
| O1 | C2 | C4 | 111.2° | 109.4° |
| O1 | C2 | H3 | 108.0° | 109.5° |
| C3 | C2 | C4 | 115.4° | 109.5° |
| C2 | C3 | F2 | 108.2° | 109.5° |
| C2 | C3 | F3 | 114.0° | 109.5° |
| C2 | C3 | F1 | 112.0° | 109.4° |
| C3 | C2 | H3 | 107.4° | 109.5° |
| C2 | C4 | F4 | 110.6° | 109.5° |
| C2 | C4 | F6 | 111.1° | 109.4° |
| C2 | C4 | F5 | 113.4° | 109.5° |
| C4 | C2 | H3 | 107.3° | 109.5° |
| F2 | C3 | F3 | 108.8° | 109.5° |
| F2 | C3 | F1 | 107.5° | 109.5° |
| F4 | C4 | F6 | 107.5° | 109.5° |
| F4 | C4 | F5 | 108.0° | 109.5° |
| F6 | C4 | F5 | 106.0° | 109.5° |
| F3 | C3 | F1 | 106.2° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F7 | C1 | O1 | H1 | 120.3° | 120.0° |
| F7 | C1 | O1 | H2 | 120.2° | 120.0° |
| F7 | C1 | O1 | C2 | 127.8° | 75.0° |
| F7 | C1 | H1 | H2 | 119.3° | 119.9° |
| C1 | O1 | C2 | C3 | 61.9° | 150.0° |
| C1 | O1 | C2 | C4 | 171.2° | 90.0° |
| O1 | C1 | H1 | H2 | 119.3° | 120.0° |
| C1 | O1 | C2 | H3 | 53.6° | 30.0° |
| O1 | C2 | C3 | C4 | 124.5° | 120.0° |
| O1 | C2 | C3 | H3 | 115.9° | 120.0° |
| O1 | C2 | C4 | H3 | 117.9° | 120.0° |
| O1 | C2 | C3 | F2 | 48.4° | 60.0° |
| O1 | C2 | C4 | F4 | 36.4° | 60.0° |
| O1 | C2 | C4 | F6 | 155.7° | 180.0° |
| O1 | C2 | C3 | F3 | 169.6° | 60.0° |
| O1 | C2 | C3 | F1 | 69.9° | 180.0° |
| O1 | C2 | C4 | F5 | 85.1° | 60.0° |
| C2 | O1 | C1 | H1 | 7.5° | 165.0° |
| C2 | O1 | C1 | H2 | 112.0° | 45.0° |
| C3 | C2 | C4 | H3 | 119.7° | 120.1° |
| C2 | C3 | F2 | F3 | 124.3° | 120.1° |
| C2 | C3 | F2 | F1 | 121.1° | 119.9° |
| C3 | C2 | C4 | F4 | 158.8° | 59.9° |
| C3 | C2 | C4 | F6 | 81.9° | 60.0° |
| C2 | C3 | F3 | F1 | 123.7° | 120.0° |
| C3 | C2 | C4 | F5 | 37.3° | 180.0° |
| C4 | C2 | C3 | F2 | 172.8° | 180.0° |
| C2 | C4 | F4 | F6 | 121.4° | 119.9° |
| C2 | C4 | F4 | F5 | 124.6° | 120.0° |
| C2 | C4 | F6 | F5 | 123.5° | 120.0° |
| C4 | C2 | C3 | F3 | 66.0° | 59.9° |
| C4 | C2 | C3 | F1 | 54.5° | 60.0° |
| F2 | C3 | F3 | F1 | 115.4° | 120.0° |
| F2 | C3 | C2 | H3 | 67.5° | 60.0° |
| F4 | C4 | F6 | F5 | 115.3° | 120.1° |
| F4 | C4 | C2 | H3 | 81.5° | 180.0° |
| F6 | C4 | C2 | H3 | 37.8° | 60.0° |
| F3 | C3 | C2 | H3 | 53.6° | 180.0° |
| F1 | C3 | C2 | H3 | 174.2° | 60.0° |
| F5 | C4 | C2 | H3 | 157.0° | 60.0° |
