H1J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C7 | sing | 1.74Å | 1.74Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | N1 | sing | 1.40Å | 1.41Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.35Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | F1 | sing | 1.35Å | 1.36Å | |
| C12 | C11 | doub | 1.39Å | 1.36Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C7 | C8 | 118.8° | 120.0° |
| CL1 | C7 | C6 | 119.4° | 120.0° |
| C8 | C7 | C6 | 121.7° | 120.1° |
| C7 | C8 | C3 | 118.6° | 119.9° |
| C7 | C8 | H5 | 120.7° | 120.1° |
| C7 | C6 | C5 | 118.9° | 120.1° |
| C7 | C6 | H4 | 120.6° | 119.9° |
| C8 | C3 | N1 | 121.6° | 120.1° |
| C8 | C3 | C4 | 120.4° | 119.9° |
| C3 | C8 | H5 | 120.7° | 120.0° |
| C6 | C5 | C4 | 120.9° | 120.1° |
| C6 | C5 | H3 | 119.6° | 120.0° |
| C5 | C6 | H4 | 120.5° | 120.0° |
| O1 | C2 | N1 | 123.6° | 120.0° |
| O1 | C2 | C1 | 121.6° | 120.0° |
| C13 | C14 | C9 | 121.0° | 120.0° |
| C14 | C13 | C12 | 118.2° | 120.0° |
| C14 | C13 | H7 | 120.9° | 119.9° |
| C13 | C14 | H11 | 119.5° | 120.1° |
| C14 | C9 | C1 | 121.6° | 120.0° |
| C14 | C9 | C10 | 118.3° | 120.0° |
| C9 | C14 | H11 | 119.5° | 119.9° |
| C13 | C12 | F1 | 119.2° | 120.1° |
| C13 | C12 | C11 | 122.9° | 119.9° |
| C12 | C13 | H7 | 120.9° | 120.0° |
| N1 | C3 | C4 | 118.1° | 120.1° |
| C3 | N1 | C2 | 126.3° | 120.0° |
| C3 | N1 | H1 | 116.9° | 120.0° |
| C3 | C4 | C5 | 119.5° | 119.9° |
| C3 | C4 | H2 | 120.3° | 120.1° |
| N1 | C2 | C1 | 114.8° | 120.0° |
| C2 | N1 | H1 | 116.9° | 120.0° |
| C2 | C1 | C9 | 111.6° | 109.5° |
| C2 | C1 | H8 | 108.9° | 109.5° |
| C2 | C1 | H9 | 108.9° | 109.5° |
| C5 | C4 | H2 | 120.3° | 120.0° |
| C4 | C5 | H3 | 119.5° | 119.9° |
| C1 | C9 | C10 | 120.1° | 120.0° |
| C9 | C1 | H8 | 109.0° | 109.4° |
| C9 | C1 | H9 | 108.9° | 109.5° |
| C9 | C10 | C11 | 121.4° | 120.1° |
| C9 | C10 | H6 | 119.3° | 119.9° |
| F1 | C12 | C11 | 117.9° | 120.0° |
| C12 | C11 | C10 | 118.3° | 120.0° |
| C12 | C11 | H10 | 120.9° | 120.0° |
| C11 | C10 | H6 | 119.3° | 120.0° |
| C10 | C11 | H10 | 120.8° | 120.0° |
| H8 | C1 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C7 | C8 | C6 | 179.2° | 179.7° |
| CL1 | C7 | C8 | C3 | 179.9° | 180.0° |
| CL1 | C7 | C6 | C5 | 179.3° | 179.7° |
| CL1 | C7 | C6 | H4 | 0.7° | 0.3° |
| CL1 | C7 | C8 | H5 | 0.1° | 0.3° |
| C7 | C8 | C3 | H5 | 180.0° | 179.7° |
| C8 | C7 | C6 | C5 | 1.5° | 0.1° |
| C7 | C8 | C3 | N1 | 179.5° | 179.9° |
| C7 | C8 | C3 | C4 | 0.5° | 0.5° |
| C8 | C7 | C6 | H4 | 178.5° | 179.9° |
| C6 | C7 | C8 | C3 | 0.9° | 0.3° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.8° | 0.0° |
| C7 | C6 | C5 | H3 | 179.2° | 180.0° |
| C6 | C7 | C8 | H5 | 179.1° | 180.0° |
| C8 | C3 | N1 | C4 | 179.1° | 179.5° |
| C8 | C3 | N1 | C2 | 24.8° | 146.8° |
| C8 | C3 | C4 | C5 | 1.1° | 0.5° |
| C8 | C3 | N1 | H1 | 155.2° | 33.0° |
| C8 | C3 | C4 | H2 | 178.9° | 179.8° |
| C6 | C5 | C4 | C3 | 0.5° | 0.3° |
| C6 | C5 | C4 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | H2 | 179.5° | 180.0° |
| O1 | C2 | N1 | C3 | 0.5° | 5.1° |
| O1 | C2 | N1 | C1 | 178.8° | 180.0° |
| O1 | C2 | C1 | C9 | 35.2° | 0.0° |
| O1 | C2 | N1 | H1 | 179.5° | 174.6° |
| O1 | C2 | C1 | H8 | 85.2° | 120.0° |
| O1 | C2 | C1 | H9 | 155.5° | 120.0° |
| C13 | C14 | C9 | H11 | 180.0° | 179.2° |
| C14 | C13 | C12 | H7 | 180.0° | 180.0° |
| C13 | C14 | C9 | C1 | 179.9° | 179.5° |
| C13 | C14 | C9 | C10 | 0.3° | 0.5° |
| C14 | C13 | C12 | F1 | 179.3° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.4° |
| C9 | C14 | C13 | C12 | 0.2° | 0.7° |
| C14 | C9 | C1 | C2 | 88.0° | 90.0° |
| C14 | C9 | C1 | C10 | 179.8° | 180.0° |
| C14 | C9 | C10 | C11 | 0.9° | 0.1° |
| C14 | C9 | C10 | H6 | 179.1° | 179.7° |
| C9 | C14 | C13 | H7 | 179.8° | 179.3° |
| C14 | C9 | C1 | H8 | 32.3° | 150.0° |
| C14 | C9 | C1 | H9 | 151.7° | 30.0° |
| C13 | C12 | F1 | C11 | 179.5° | 179.6° |
| C13 | C12 | C11 | C10 | 0.4° | 0.1° |
| C13 | C12 | C11 | H10 | 179.6° | 180.0° |
| C12 | C13 | C14 | H11 | 179.8° | 179.9° |
| C3 | N1 | C2 | H1 | 180.0° | 179.7° |
| C3 | N1 | C2 | C1 | 178.3° | 174.9° |
| N1 | C3 | C4 | C5 | 179.8° | 179.9° |
| N1 | C3 | C4 | H2 | 0.2° | 0.3° |
| N1 | C3 | C8 | H5 | 0.5° | 0.2° |
| C4 | C3 | N1 | C2 | 156.2° | 33.7° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C4 | C3 | N1 | H1 | 23.8° | 146.6° |
| C3 | C4 | C5 | H3 | 179.5° | 179.8° |
| C4 | C3 | C8 | H5 | 179.6° | 179.8° |
| N1 | C2 | C1 | C9 | 146.0° | 180.0° |
| N1 | C2 | C1 | H8 | 93.7° | 60.0° |
| N1 | C2 | C1 | H9 | 25.7° | 60.0° |
| C2 | C1 | C9 | H8 | 120.3° | 120.0° |
| C2 | C1 | C9 | H9 | 120.3° | 120.0° |
| C2 | C1 | C9 | C10 | 92.2° | 90.0° |
| C1 | C2 | N1 | H1 | 1.7° | 5.4° |
| C2 | C1 | H8 | H9 | 119.0° | 120.0° |
| C4 | C5 | C6 | H4 | 179.2° | 179.9° |
| C1 | C9 | C10 | C11 | 179.3° | 180.0° |
| C1 | C9 | C10 | H6 | 0.7° | 0.3° |
| C9 | C1 | H8 | H9 | 119.1° | 120.0° |
| C1 | C9 | C14 | H11 | 0.1° | 0.3° |
| C9 | C10 | C11 | C12 | 0.9° | 0.3° |
| C9 | C10 | C11 | H6 | 180.0° | 179.6° |
| C10 | C9 | C1 | H8 | 147.5° | 29.9° |
| C10 | C9 | C1 | H9 | 28.1° | 150.0° |
| C9 | C10 | C11 | H10 | 179.1° | 179.7° |
| C10 | C9 | C14 | H11 | 179.7° | 179.7° |
| F1 | C12 | C11 | C10 | 179.8° | 179.5° |
| F1 | C12 | C13 | H7 | 0.7° | 0.1° |
| F1 | C12 | C11 | H10 | 0.1° | 0.4° |
| C12 | C11 | C10 | H10 | 180.0° | 179.9° |
| C12 | C11 | C10 | H6 | 179.1° | 180.0° |
| C11 | C12 | C13 | H7 | 179.8° | 179.5° |
| H2 | C4 | C5 | H3 | 0.5° | 0.1° |
| H3 | C5 | C6 | H4 | 0.8° | 0.0° |
| H6 | C10 | C11 | H10 | 1.0° | 0.1° |
| H7 | C13 | C14 | H11 | 0.2° | 0.0° |
