A1BT4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.40Å | 1.34Å | |
| C1 | F2 | sing | 1.40Å | 1.34Å | |
| C1 | O1 | sing | 1.43Å | 1.35Å | |
| O1 | C2 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | sing | 1.41Å | 1.39Å | |
| C3 | C4 | doub | 1.36Å | 1.36Å | |
| C4 | C5 | sing | 1.41Å | 1.42Å | |
| C5 | O2 | doub | 1.22Å | 1.26Å | |
| C5 | N1 | sing | 1.35Å | 1.37Å | |
| N1 | C6 | sing | 1.36Å | 1.36Å | |
| C2 | C6 | doub | 1.36Å | 1.34Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | F2 | 104.2° | 109.5° |
| F1 | C1 | O1 | 108.7° | 109.4° |
| F1 | C1 | H1 | 111.6° | 109.5° |
| F2 | C1 | O1 | 108.9° | 109.5° |
| F2 | C1 | H1 | 111.7° | 109.5° |
| C1 | O1 | C2 | 119.8° | 117.0° |
| O1 | C1 | H1 | 111.4° | 109.4° |
| O1 | C2 | C3 | 115.1° | 120.1° |
| O1 | C2 | C6 | 125.2° | 120.1° |
| C2 | C3 | C4 | 120.1° | 119.2° |
| C3 | C2 | C6 | 119.7° | 119.9° |
| C2 | C3 | H2 | 119.9° | 120.4° |
| C3 | C4 | C5 | 120.6° | 119.4° |
| C3 | C4 | H3 | 119.7° | 120.3° |
| C4 | C3 | H2 | 120.0° | 120.4° |
| C4 | C5 | O2 | 124.8° | 119.9° |
| C4 | C5 | N1 | 116.0° | 120.1° |
| C5 | C4 | H3 | 119.7° | 120.3° |
| O2 | C5 | N1 | 119.2° | 119.9° |
| C5 | N1 | C6 | 123.4° | 120.7° |
| C5 | N1 | H4 | 118.3° | 119.6° |
| N1 | C6 | C2 | 120.3° | 120.6° |
| C6 | N1 | H4 | 118.3° | 119.6° |
| N1 | C6 | H5 | 119.9° | 119.7° |
| C2 | C6 | H5 | 119.9° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | F2 | O1 | 115.8° | 120.0° |
| F1 | C1 | F2 | H1 | 120.7° | 120.0° |
| F1 | C1 | O1 | H1 | 123.4° | 120.0° |
| F1 | C1 | O1 | C2 | 164.8° | 60.0° |
| F2 | C1 | O1 | H1 | 123.6° | 120.1° |
| F2 | C1 | O1 | C2 | 51.9° | 60.0° |
| C1 | O1 | C2 | C3 | 38.3° | 180.0° |
| C1 | O1 | C2 | C6 | 143.0° | 0.4° |
| O1 | C2 | C3 | C6 | 178.7° | 179.6° |
| O1 | C2 | C3 | C4 | 179.1° | 180.0° |
| O1 | C2 | C6 | N1 | 179.5° | 179.5° |
| O1 | C2 | C6 | H5 | 0.5° | 0.4° |
| C2 | O1 | C1 | H1 | 71.8° | 180.0° |
| O1 | C2 | C3 | H2 | 0.9° | 0.4° |
| C2 | C3 | C4 | H2 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 0.0° | 0.7° |
| C3 | C2 | C6 | N1 | 0.9° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C3 | C2 | C6 | H5 | 179.1° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.5° |
| C3 | C4 | C5 | O2 | 179.8° | 179.5° |
| C3 | C4 | C5 | N1 | 0.2° | 0.4° |
| C4 | C3 | C2 | C6 | 0.4° | 0.5° |
| C4 | C5 | O2 | N1 | 179.6° | 179.9° |
| C4 | C5 | N1 | C6 | 0.7° | 0.1° |
| C4 | C5 | N1 | H4 | 179.3° | 179.7° |
| C5 | C4 | C3 | H2 | 180.0° | 179.8° |
| O2 | C5 | N1 | C6 | 179.7° | 180.0° |
| O2 | C5 | N1 | H4 | 0.3° | 0.3° |
| O2 | C5 | C4 | H3 | 0.2° | 0.0° |
| C5 | N1 | C6 | H4 | 180.0° | 179.6° |
| C5 | N1 | C6 | C2 | 1.1° | 0.3° |
| N1 | C5 | C4 | H3 | 179.8° | 180.0° |
| C5 | N1 | C6 | H5 | 178.9° | 179.7° |
| N1 | C6 | C2 | H5 | 180.0° | 180.0° |
| C2 | C6 | N1 | H4 | 178.9° | 180.0° |
| C6 | C2 | C3 | H2 | 179.7° | 180.0° |
| H4 | N1 | C6 | H5 | 1.1° | 0.1° |
| H3 | C4 | C3 | H2 | 0.0° | 0.3° |
