LV1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C10 | sing | 1.35Å | 1.33Å | |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | N1 | sing | 1.40Å | 1.39Å | |
| N1 | C6 | sing | 1.35Å | 1.41Å | |
| C6 | O1 | doub | 1.22Å | 1.25Å | |
| C6 | N | sing | 1.35Å | 1.42Å | |
| N | C2 | sing | 1.40Å | 1.48Å | |
| C2 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.45Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | O | sing | 1.36Å | 1.39Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C | H5 | sing | 1.08Å | 1.08Å | |
| O | H6 | sing | 0.97Å | 0.95Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C10 | C9 | 119.8° | 119.9° |
| F | C10 | C11 | 118.6° | 120.0° |
| C10 | C9 | C8 | 118.8° | 120.0° |
| C9 | C10 | C11 | 121.5° | 120.1° |
| C10 | C9 | H11 | 120.6° | 120.1° |
| C9 | C8 | C7 | 120.0° | 119.9° |
| C9 | C8 | H3 | 120.0° | 120.0° |
| C8 | C9 | H11 | 120.6° | 119.9° |
| C10 | C11 | C12 | 118.6° | 120.1° |
| C10 | C11 | H8 | 120.7° | 120.0° |
| C8 | C7 | C12 | 121.5° | 120.0° |
| C8 | C7 | N1 | 117.9° | 120.0° |
| C7 | C8 | H3 | 120.0° | 120.1° |
| C11 | C12 | C7 | 119.4° | 119.9° |
| C12 | C11 | H8 | 120.7° | 120.0° |
| C11 | C12 | H9 | 120.3° | 120.0° |
| C12 | C7 | N1 | 118.8° | 120.0° |
| C7 | C12 | H9 | 120.3° | 120.1° |
| C7 | N1 | C6 | 136.4° | 120.0° |
| C7 | N1 | H1 | 111.8° | 120.0° |
| N1 | C6 | O1 | 115.7° | 120.0° |
| N1 | C6 | N | 123.0° | 120.0° |
| C6 | N1 | H1 | 111.8° | 120.0° |
| O1 | C6 | N | 121.3° | 119.9° |
| C6 | N | C2 | 121.3° | 120.1° |
| C6 | N | H4 | 119.3° | 119.9° |
| N | C2 | C1 | 117.1° | 120.1° |
| N | C2 | C3 | 124.7° | 120.1° |
| C2 | N | H4 | 119.3° | 120.0° |
| C1 | C2 | C3 | 118.1° | 119.9° |
| C2 | C1 | C | 120.0° | 120.0° |
| C2 | C1 | H7 | 120.0° | 119.9° |
| C2 | C3 | C4 | 120.0° | 119.9° |
| C2 | C3 | H10 | 120.0° | 120.0° |
| C1 | C | C5 | 122.4° | 120.1° |
| C1 | C | H5 | 118.8° | 119.9° |
| C | C1 | H7 | 120.0° | 120.0° |
| C3 | C4 | C5 | 121.6° | 120.0° |
| C3 | C4 | O | 120.0° | 120.1° |
| C4 | C3 | H10 | 120.0° | 120.1° |
| C | C5 | C4 | 117.8° | 120.1° |
| C | C5 | H2 | 121.1° | 119.9° |
| C5 | C | H5 | 118.8° | 119.9° |
| C5 | C4 | O | 118.4° | 120.0° |
| C4 | C5 | H2 | 121.1° | 120.0° |
| C4 | O | H6 | 109.5° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C10 | C9 | C11 | 175.1° | 179.3° |
| F | C10 | C9 | C8 | 172.2° | 179.7° |
| F | C10 | C11 | C12 | 171.6° | 180.0° |
| F | C10 | C11 | H8 | 8.4° | 0.7° |
| F | C10 | C9 | H11 | 7.8° | 0.6° |
| C10 | C9 | C8 | H11 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 1.4° | 0.0° |
| C9 | C10 | C11 | C12 | 3.6° | 0.6° |
| C10 | C9 | C8 | H3 | 178.6° | 180.0° |
| C9 | C10 | C11 | H8 | 176.4° | 180.0° |
| C8 | C9 | C10 | C11 | 3.0° | 0.3° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | C12 | 5.2° | 0.0° |
| C9 | C8 | C7 | N1 | 159.0° | 179.7° |
| C10 | C11 | C12 | H8 | 180.0° | 179.4° |
| C10 | C11 | C12 | C7 | 0.1° | 0.6° |
| C10 | C11 | C12 | H9 | 179.9° | 179.4° |
| C11 | C10 | C9 | H11 | 177.1° | 179.9° |
| C8 | C7 | C12 | C11 | 4.5° | 0.3° |
| C8 | C7 | C12 | N1 | 164.1° | 179.7° |
| C8 | C7 | N1 | C6 | 134.5° | 144.6° |
| C8 | C7 | N1 | H1 | 45.5° | 35.7° |
| C8 | C7 | C12 | H9 | 175.5° | 179.7° |
| C7 | C8 | C9 | H11 | 178.6° | 179.7° |
| C11 | C12 | C7 | H9 | 180.0° | 180.0° |
| C11 | C12 | C7 | N1 | 159.6° | 180.0° |
| C12 | C7 | N1 | C6 | 60.9° | 35.0° |
| C12 | C7 | N1 | H1 | 119.1° | 144.6° |
| C12 | C7 | C8 | H3 | 174.8° | 180.0° |
| C7 | C12 | C11 | H8 | 179.9° | 180.0° |
| C7 | N1 | C6 | H1 | 180.0° | 179.6° |
| C7 | N1 | C6 | O1 | 179.8° | 4.3° |
| C7 | N1 | C6 | N | 1.0° | 175.7° |
| N1 | C7 | C8 | H3 | 21.0° | 0.3° |
| N1 | C7 | C12 | H9 | 20.4° | 0.0° |
| N1 | C6 | O1 | N | 178.9° | 180.0° |
| N1 | C6 | N | C2 | 179.0° | 175.4° |
| N1 | C6 | N | H4 | 1.0° | 4.7° |
| O1 | C6 | N | C2 | 2.2° | 4.7° |
| O1 | C6 | N1 | H1 | 0.2° | 175.3° |
| O1 | C6 | N | H4 | 177.8° | 175.3° |
| C6 | N | C2 | H4 | 180.0° | 180.0° |
| C6 | N | C2 | C1 | 162.6° | 144.9° |
| C6 | N | C2 | C3 | 15.4° | 35.3° |
| N | C6 | N1 | H1 | 179.0° | 4.7° |
| N | C2 | C1 | C3 | 178.2° | 179.8° |
| N | C2 | C1 | C | 179.1° | 180.0° |
| N | C2 | C3 | C4 | 176.5° | 179.7° |
| N | C2 | C1 | H7 | 0.9° | 0.1° |
| N | C2 | C3 | H10 | 3.5° | 0.1° |
| C2 | C1 | C | H7 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.5° | 0.5° |
| C2 | C1 | C | C5 | 2.5° | 0.0° |
| C1 | C2 | N | H4 | 17.4° | 35.1° |
| C2 | C1 | C | H5 | 177.5° | 180.0° |
| C1 | C2 | C3 | H10 | 178.5° | 179.7° |
| C3 | C2 | C1 | C | 0.9° | 0.3° |
| C2 | C3 | C4 | H10 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 2.5° | 0.5° |
| C2 | C3 | C4 | O | 174.7° | 179.7° |
| C3 | C2 | N | H4 | 164.6° | 144.7° |
| C3 | C2 | C1 | H7 | 179.1° | 179.7° |
| C1 | C | C5 | H5 | 180.0° | 179.9° |
| C1 | C | C5 | C4 | 1.5° | 0.0° |
| C1 | C | C5 | H2 | 178.5° | 180.0° |
| C3 | C4 | C5 | C | 1.0° | 0.3° |
| C3 | C4 | C5 | O | 177.2° | 179.8° |
| C3 | C4 | C5 | H2 | 179.0° | 179.7° |
| C3 | C4 | O | H6 | 180.0° | 89.7° |
| C | C5 | C4 | H2 | 180.0° | 180.0° |
| C | C5 | C4 | O | 176.2° | 180.0° |
| C5 | C | C1 | H7 | 177.5° | 179.9° |
| C4 | C5 | C | H5 | 178.5° | 180.0° |
| C5 | C4 | O | H6 | 2.7° | 90.0° |
| C5 | C4 | C3 | H10 | 177.5° | 179.7° |
| O | C4 | C5 | H2 | 3.8° | 0.0° |
| O | C4 | C3 | H10 | 5.4° | 0.0° |
| H2 | C5 | C | H5 | 1.5° | 0.0° |
| H3 | C8 | C9 | H11 | 1.4° | 0.3° |
| H5 | C | C1 | H7 | 2.5° | 0.0° |
| H8 | C11 | C12 | H9 | 0.1° | 0.0° |
