FOV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | N1 | doub | 1.22Å | 1.38Å | |
| O3 | N1 | doub | 1.22Å | 1.40Å | |
| N1 | C3 | sing | 1.48Å | 1.38Å | |
| N2 | C11 | sing | 1.40Å | 1.41Å | |
| N2 | C4 | sing | 1.40Å | 1.41Å | |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| F4 | C13 | sing | 1.35Å | 1.39Å | |
| C11 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.35Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | CL1 | sing | 1.74Å | 1.75Å | |
| C2 | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | S1 | sing | 1.76Å | 1.66Å | |
| F2 | C7 | sing | 1.40Å | 1.32Å | |
| O2 | S1 | doub | 1.42Å | 1.41Å | |
| S1 | C7 | sing | 1.81Å | 1.71Å | |
| S1 | O1 | doub | 1.42Å | 1.42Å | |
| C7 | F1 | sing | 1.40Å | 1.33Å | |
| C7 | F3 | sing | 1.40Å | 1.35Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | N1 | O3 | 114.3° | 120.0° |
| O4 | N1 | C3 | 122.4° | 120.0° |
| O3 | N1 | C3 | 123.1° | 120.0° |
| N1 | C3 | C4 | 124.3° | 120.0° |
| N1 | C3 | C2 | 116.1° | 120.0° |
| C11 | N2 | C4 | 120.1° | 120.0° |
| N2 | C11 | C12 | 122.4° | 120.1° |
| N2 | C11 | C10 | 118.3° | 120.1° |
| C11 | N2 | H2 | 119.9° | 120.0° |
| N2 | C4 | C3 | 115.4° | 120.1° |
| N2 | C4 | C5 | 124.1° | 120.1° |
| C4 | N2 | H2 | 119.9° | 120.1° |
| C11 | C12 | C13 | 119.9° | 120.0° |
| C12 | C11 | C10 | 119.2° | 119.8° |
| C11 | C12 | H4 | 120.1° | 120.0° |
| C12 | C13 | F4 | 120.9° | 120.0° |
| C12 | C13 | C8 | 121.5° | 120.0° |
| C13 | C12 | H4 | 120.1° | 120.0° |
| F4 | C13 | C8 | 117.5° | 120.1° |
| C11 | C10 | C9 | 117.9° | 120.0° |
| C11 | C10 | H3 | 121.0° | 120.0° |
| C13 | C8 | C9 | 115.9° | 120.2° |
| C13 | C8 | H5 | 122.0° | 119.9° |
| C4 | C3 | C2 | 119.5° | 120.0° |
| C3 | C4 | C5 | 120.2° | 119.8° |
| C3 | C2 | C1 | 120.7° | 120.0° |
| C3 | C2 | H1 | 119.6° | 119.9° |
| C4 | C5 | C6 | 120.7° | 119.9° |
| C4 | C5 | H6 | 119.6° | 120.1° |
| C10 | C9 | C8 | 125.5° | 120.0° |
| C10 | C9 | CL1 | 117.2° | 120.0° |
| C9 | C10 | H3 | 121.1° | 120.0° |
| C8 | C9 | CL1 | 117.4° | 120.0° |
| C9 | C8 | H5 | 122.1° | 119.9° |
| C2 | C1 | C6 | 121.0° | 120.2° |
| C2 | C1 | S1 | 116.4° | 119.9° |
| C1 | C2 | H1 | 119.6° | 120.0° |
| C5 | C6 | C1 | 117.7° | 120.1° |
| C6 | C5 | H6 | 119.7° | 120.0° |
| C5 | C6 | H7 | 121.2° | 120.0° |
| C6 | C1 | S1 | 122.5° | 119.9° |
| C1 | C6 | H7 | 121.2° | 120.0° |
| C1 | S1 | O2 | 105.8° | 104.3° |
| C1 | S1 | C7 | 107.3° | 104.5° |
| C1 | S1 | O1 | 108.3° | 104.3° |
| F2 | C7 | S1 | 110.4° | 109.5° |
| F2 | C7 | F1 | 109.7° | 109.5° |
| F2 | C7 | F3 | 110.5° | 109.5° |
| O2 | S1 | C7 | 110.4° | 110.5° |
| O2 | S1 | O1 | 122.7° | 121.1° |
| C7 | S1 | O1 | 101.4° | 110.5° |
| S1 | C7 | F1 | 111.3° | 109.5° |
| S1 | C7 | F3 | 109.2° | 109.5° |
| F1 | C7 | F3 | 105.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | N1 | O3 | C3 | 174.9° | 179.7° |
| O4 | N1 | C3 | C4 | 17.1° | 174.5° |
| O4 | N1 | C3 | C2 | 158.1° | 5.7° |
| O3 | N1 | C3 | C4 | 168.3° | 5.2° |
| O3 | N1 | C3 | C2 | 16.4° | 174.6° |
| N1 | C3 | C4 | N2 | 5.4° | 0.0° |
| N1 | C3 | C4 | C2 | 175.1° | 179.8° |
| N1 | C3 | C4 | C5 | 179.7° | 180.0° |
| N1 | C3 | C2 | C1 | 176.8° | 180.0° |
| N1 | C3 | C2 | H1 | 3.2° | 0.1° |
| C11 | N2 | C4 | H2 | 180.0° | 179.9° |
| N2 | C11 | C12 | C10 | 179.8° | 179.7° |
| N2 | C11 | C12 | C13 | 175.8° | 180.0° |
| C11 | N2 | C4 | C3 | 179.6° | 80.6° |
| C11 | N2 | C4 | C5 | 5.6° | 99.3° |
| N2 | C11 | C10 | C9 | 177.0° | 180.0° |
| N2 | C11 | C10 | H3 | 3.0° | 0.1° |
| N2 | C11 | C12 | H4 | 4.2° | 0.0° |
| C4 | N2 | C11 | C12 | 116.6° | 3.1° |
| C4 | N2 | C11 | C10 | 63.2° | 176.6° |
| N2 | C4 | C3 | C5 | 174.3° | 180.0° |
| N2 | C4 | C3 | C2 | 179.5° | 179.8° |
| N2 | C4 | C5 | C6 | 179.5° | 180.0° |
| N2 | C4 | C5 | H6 | 0.5° | 0.0° |
| C11 | C12 | C13 | H4 | 180.0° | 180.0° |
| C11 | C12 | C13 | F4 | 177.8° | 180.0° |
| C11 | C12 | C13 | C8 | 3.6° | 0.0° |
| C12 | C11 | C10 | C9 | 3.2° | 0.3° |
| C12 | C11 | N2 | H2 | 63.4° | 176.9° |
| C12 | C11 | C10 | H3 | 176.8° | 179.8° |
| C12 | C13 | F4 | C8 | 178.6° | 180.0° |
| C13 | C12 | C11 | C10 | 4.3° | 0.2° |
| C12 | C13 | C8 | C9 | 1.6° | 0.3° |
| C12 | C13 | C8 | H5 | 178.3° | 180.0° |
| F4 | C13 | C8 | C9 | 179.8° | 179.7° |
| F4 | C13 | C12 | H4 | 2.1° | 0.0° |
| F4 | C13 | C8 | H5 | 0.2° | 0.0° |
| C11 | C10 | C9 | H3 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 1.3° | 0.1° |
| C11 | C10 | C9 | CL1 | 177.5° | 180.0° |
| C10 | C11 | N2 | H2 | 116.8° | 3.4° |
| C10 | C11 | C12 | H4 | 175.7° | 179.7° |
| C13 | C8 | C9 | C10 | 0.5° | 0.2° |
| C13 | C8 | C9 | H5 | 180.0° | 179.7° |
| C13 | C8 | C9 | CL1 | 178.3° | 179.7° |
| C8 | C13 | C12 | H4 | 176.4° | 180.0° |
| C4 | C3 | C2 | C1 | 1.3° | 0.3° |
| C3 | C4 | C5 | C6 | 5.7° | 0.0° |
| C4 | C3 | C2 | H1 | 178.7° | 179.7° |
| C3 | C4 | N2 | H2 | 0.4° | 99.4° |
| C3 | C4 | C5 | H6 | 174.3° | 180.0° |
| C2 | C3 | C4 | C5 | 5.2° | 0.3° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 1.9° | 0.0° |
| C3 | C2 | C1 | S1 | 178.7° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 2.4° | 0.3° |
| C5 | C4 | N2 | H2 | 174.4° | 80.6° |
| C4 | C5 | C6 | H7 | 177.6° | 180.0° |
| C10 | C9 | C8 | CL1 | 178.8° | 179.9° |
| C10 | C9 | C8 | H5 | 179.5° | 179.9° |
| C8 | C9 | C10 | H3 | 178.7° | 180.0° |
| CL1 | C9 | C10 | H3 | 2.5° | 0.1° |
| CL1 | C9 | C8 | H5 | 1.8° | 0.0° |
| C2 | C1 | C6 | C5 | 1.4° | 0.2° |
| C2 | C1 | C6 | S1 | 176.6° | 180.0° |
| C2 | C1 | S1 | O2 | 32.4° | 26.1° |
| C2 | C1 | S1 | C7 | 85.5° | 90.0° |
| C2 | C1 | S1 | O1 | 165.7° | 153.9° |
| C2 | C1 | C6 | H7 | 178.6° | 180.0° |
| C5 | C6 | C1 | H7 | 180.0° | 179.7° |
| C5 | C6 | C1 | S1 | 178.0° | 179.7° |
| C6 | C1 | S1 | O2 | 150.8° | 154.0° |
| C6 | C1 | S1 | C7 | 91.2° | 90.0° |
| C6 | C1 | S1 | O1 | 17.5° | 26.1° |
| C6 | C1 | C2 | H1 | 178.1° | 179.9° |
| C1 | C6 | C5 | H6 | 177.6° | 179.7° |
| C1 | S1 | C7 | F2 | 69.3° | 180.0° |
| C1 | S1 | O2 | C7 | 115.9° | 111.7° |
| C1 | S1 | O2 | O1 | 124.7° | 116.8° |
| C1 | S1 | C7 | O1 | 113.5° | 111.7° |
| C1 | S1 | C7 | F1 | 52.7° | 60.0° |
| C1 | S1 | C7 | F3 | 168.9° | 60.0° |
| S1 | C1 | C2 | H1 | 1.2° | 0.0° |
| S1 | C1 | C6 | H7 | 2.0° | 0.0° |
| F2 | C7 | S1 | O2 | 45.5° | 68.4° |
| F2 | C7 | S1 | F1 | 122.0° | 120.0° |
| F2 | C7 | S1 | F3 | 121.7° | 120.0° |
| F2 | C7 | S1 | O1 | 177.2° | 68.3° |
| F2 | C7 | F1 | F3 | 119.1° | 120.0° |
| O2 | S1 | C7 | O1 | 131.6° | 136.7° |
| O2 | S1 | C7 | F1 | 167.6° | 171.6° |
| O2 | S1 | C7 | F3 | 76.2° | 51.6° |
| S1 | C7 | F1 | F3 | 118.4° | 120.0° |
| O1 | S1 | C7 | F1 | 60.8° | 51.7° |
| O1 | S1 | C7 | F3 | 55.4° | 171.6° |
| H6 | C5 | C6 | H7 | 2.4° | 0.0° |
