FZ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F16 | C13 | sing | 1.40Å | 1.30Å | |
| F14 | C13 | sing | 1.40Å | 1.32Å | |
| C13 | O12 | sing | 1.43Å | 1.42Å | |
| C13 | F15 | sing | 1.40Å | 1.30Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| O12 | C4 | sing | 1.36Å | 1.35Å | |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | N7 | sing | 1.40Å | 1.37Å | |
| N7 | C8 | sing | 1.35Å | 1.36Å | |
| O11 | C8 | doub | 1.21Å | 1.25Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | N10 | sing | 1.47Å | 1.50Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| N7 | H5 | sing | 0.97Å | 1.00Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| N10 | H8 | sing | 1.01Å | 1.00Å | |
| N10 | H9 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F16 | C13 | F14 | 113.3° | 109.5° |
| F16 | C13 | O12 | 111.2° | 109.4° |
| F16 | C13 | F15 | 102.3° | 109.5° |
| F14 | C13 | O12 | 103.8° | 109.4° |
| F14 | C13 | F15 | 115.2° | 109.5° |
| O12 | C13 | F15 | 111.2° | 109.5° |
| C13 | O12 | C4 | 119.0° | 117.0° |
| C6 | C5 | C4 | 118.4° | 120.1° |
| C5 | C6 | C1 | 120.8° | 120.2° |
| C6 | C5 | H3 | 120.8° | 120.0° |
| C5 | C6 | H4 | 119.6° | 119.9° |
| C5 | C4 | O12 | 121.9° | 120.0° |
| C5 | C4 | C3 | 121.6° | 120.0° |
| C4 | C5 | H3 | 120.8° | 120.0° |
| O12 | C4 | C3 | 116.3° | 120.0° |
| C6 | C1 | C2 | 120.7° | 120.0° |
| C6 | C1 | H1 | 119.6° | 120.0° |
| C1 | C6 | H4 | 119.6° | 119.9° |
| C4 | C3 | C2 | 119.7° | 119.9° |
| C4 | C3 | H2 | 120.2° | 120.1° |
| C1 | C2 | C3 | 118.6° | 119.9° |
| C1 | C2 | N7 | 124.8° | 120.0° |
| C2 | C1 | H1 | 119.6° | 120.0° |
| C3 | C2 | N7 | 116.6° | 120.1° |
| C2 | C3 | H2 | 120.2° | 120.0° |
| C2 | N7 | C8 | 125.7° | 120.0° |
| C2 | N7 | H5 | 117.1° | 120.1° |
| N7 | C8 | O11 | 125.5° | 120.0° |
| N7 | C8 | C9 | 114.2° | 120.0° |
| C8 | N7 | H5 | 117.2° | 120.0° |
| O11 | C8 | C9 | 120.3° | 120.0° |
| C8 | C9 | N10 | 109.1° | 109.5° |
| C8 | C9 | H6 | 109.6° | 109.5° |
| C8 | C9 | H7 | 109.5° | 109.4° |
| N10 | C9 | H6 | 109.6° | 109.5° |
| N10 | C9 | H7 | 109.6° | 109.4° |
| C9 | N10 | H8 | 109.5° | 111.0° |
| C9 | N10 | H9 | 109.5° | 111.0° |
| H6 | C9 | H7 | 109.5° | 109.4° |
| H8 | N10 | H9 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F16 | C13 | F14 | O12 | 120.8° | 119.9° |
| F16 | C13 | F14 | F15 | 117.3° | 120.1° |
| F16 | C13 | O12 | F15 | 113.3° | 120.1° |
| F16 | C13 | O12 | C4 | 71.4° | 180.0° |
| F14 | C13 | O12 | F15 | 124.5° | 120.0° |
| F14 | C13 | O12 | C4 | 166.4° | 60.0° |
| C13 | O12 | C4 | C5 | 70.0° | 0.0° |
| C13 | O12 | C4 | C3 | 114.5° | 180.0° |
| F15 | C13 | O12 | C4 | 41.9° | 60.0° |
| C6 | C5 | C4 | H3 | 180.0° | 179.4° |
| C6 | C5 | C4 | O12 | 176.3° | 179.8° |
| C5 | C6 | C1 | H4 | 180.0° | 179.6° |
| C6 | C5 | C4 | C3 | 1.1° | 0.3° |
| C5 | C6 | C1 | C2 | 1.4° | 0.4° |
| C5 | C6 | C1 | H1 | 178.5° | 179.7° |
| C5 | C4 | O12 | C3 | 175.4° | 179.9° |
| C4 | C5 | C6 | C1 | 0.5° | 0.5° |
| C5 | C4 | C3 | C2 | 2.5° | 0.0° |
| C5 | C4 | C3 | H2 | 177.5° | 179.9° |
| C4 | C5 | C6 | H4 | 179.4° | 179.9° |
| O12 | C4 | C3 | C2 | 178.0° | 179.9° |
| O12 | C4 | C3 | H2 | 2.0° | 0.0° |
| O12 | C4 | C5 | H3 | 3.7° | 0.4° |
| C6 | C1 | C2 | H1 | 180.0° | 179.8° |
| C6 | C1 | C2 | C3 | 2.8° | 0.1° |
| C6 | C1 | C2 | N7 | 178.9° | 179.8° |
| C1 | C6 | C5 | H3 | 179.5° | 179.9° |
| C4 | C3 | C2 | C1 | 3.3° | 0.1° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | N7 | 178.3° | 180.0° |
| C3 | C4 | C5 | H3 | 178.9° | 179.7° |
| C1 | C2 | C3 | N7 | 178.4° | 179.9° |
| C1 | C2 | N7 | C8 | 6.3° | 144.9° |
| C1 | C2 | C3 | H2 | 176.7° | 180.0° |
| C2 | C1 | C6 | H4 | 178.5° | 180.0° |
| C1 | C2 | N7 | H5 | 173.7° | 35.2° |
| C3 | C2 | N7 | C8 | 175.4° | 35.0° |
| C3 | C2 | C1 | H1 | 177.2° | 180.0° |
| C3 | C2 | N7 | H5 | 4.5° | 144.9° |
| C2 | N7 | C8 | H5 | 180.0° | 179.9° |
| C2 | N7 | C8 | O11 | 3.9° | 4.6° |
| C2 | N7 | C8 | C9 | 177.6° | 175.4° |
| N7 | C2 | C1 | H1 | 1.1° | 0.1° |
| N7 | C2 | C3 | H2 | 1.7° | 0.1° |
| N7 | C8 | O11 | C9 | 178.4° | 180.0° |
| N7 | C8 | C9 | N10 | 165.2° | 180.0° |
| N7 | C8 | C9 | H6 | 45.3° | 60.0° |
| N7 | C8 | C9 | H7 | 74.8° | 60.0° |
| O11 | C8 | C9 | N10 | 16.2° | 0.0° |
| O11 | C8 | N7 | H5 | 176.1° | 175.4° |
| O11 | C8 | C9 | H6 | 136.1° | 120.1° |
| O11 | C8 | C9 | H7 | 103.8° | 120.0° |
| C8 | C9 | N10 | H6 | 120.0° | 120.1° |
| C8 | C9 | N10 | H7 | 119.9° | 119.9° |
| C9 | C8 | N7 | H5 | 2.4° | 4.6° |
| C8 | C9 | H6 | H7 | 120.1° | 120.0° |
| C8 | C9 | N10 | H8 | 180.0° | 180.0° |
| C8 | C9 | N10 | H9 | 60.0° | 56.0° |
| N10 | C9 | H6 | H7 | 120.2° | 120.0° |
| C9 | N10 | H8 | H9 | 120.0° | 124.0° |
| H1 | C1 | C6 | H4 | 1.5° | 0.1° |
| H3 | C5 | C6 | H4 | 0.6° | 0.5° |
| H6 | C9 | N10 | H8 | 60.0° | 59.9° |
| H6 | C9 | N10 | H9 | 180.0° | 176.1° |
| H7 | C9 | N10 | H8 | 60.1° | 60.1° |
| H7 | C9 | N10 | H9 | 59.9° | 63.9° |
