8IH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C4 | sing | 1.74Å | 1.74Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | CL2 | sing | 1.74Å | 1.74Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.49Å | |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| F1 | C13 | sing | 1.40Å | 1.33Å | |
| C17 | C16 | sing | 1.53Å | 1.50Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | F3 | sing | 1.40Å | 1.33Å | |
| C13 | F2 | sing | 1.40Å | 1.33Å | |
| C16 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | O2 | doub | 1.21Å | 1.24Å | |
| C15 | O1 | sing | 1.34Å | 1.24Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C4 | C3 | 119.0° | 120.0° |
| CL1 | C4 | C5 | 119.6° | 119.9° |
| C3 | C4 | C5 | 121.4° | 120.1° |
| C4 | C3 | C2 | 118.1° | 120.2° |
| C4 | C3 | H11 | 120.9° | 119.9° |
| C4 | C5 | C6 | 120.5° | 119.8° |
| C4 | C5 | H1 | 119.8° | 120.1° |
| C3 | C2 | CL2 | 119.0° | 120.0° |
| C3 | C2 | C1 | 121.5° | 120.1° |
| C2 | C3 | H11 | 121.0° | 119.8° |
| C5 | C6 | C1 | 118.3° | 119.8° |
| C5 | C6 | C7 | 120.8° | 120.1° |
| C6 | C5 | H1 | 119.8° | 120.0° |
| CL2 | C2 | C1 | 119.5° | 120.0° |
| C2 | C1 | C6 | 120.3° | 119.9° |
| C2 | C1 | H6 | 119.8° | 120.0° |
| C1 | C6 | C7 | 121.0° | 120.1° |
| C6 | C1 | H6 | 119.8° | 120.1° |
| C6 | C7 | C8 | 118.9° | 120.2° |
| C6 | C7 | C12 | 122.5° | 120.1° |
| C7 | C8 | C9 | 121.4° | 119.9° |
| C8 | C7 | C12 | 118.6° | 119.7° |
| C7 | C8 | H2 | 119.3° | 120.0° |
| C8 | C9 | C10 | 120.5° | 120.1° |
| C9 | C8 | H2 | 119.3° | 120.1° |
| C8 | C9 | H12 | 119.8° | 119.9° |
| C7 | C12 | C13 | 122.3° | 120.1° |
| C7 | C12 | C11 | 119.0° | 119.9° |
| C9 | C10 | C11 | 118.3° | 120.2° |
| C9 | C10 | C14 | 121.1° | 119.9° |
| C10 | C9 | H12 | 119.8° | 120.0° |
| F1 | C13 | C12 | 113.2° | 109.4° |
| F1 | C13 | F3 | 105.9° | 109.5° |
| F1 | C13 | F2 | 105.7° | 109.4° |
| C17 | C16 | C14 | 112.3° | 109.5° |
| C16 | C17 | H3 | 109.5° | 109.5° |
| C16 | C17 | H4 | 109.5° | 109.5° |
| C16 | C17 | H5 | 109.5° | 109.4° |
| C17 | C16 | H9 | 108.7° | 109.5° |
| C17 | C16 | H10 | 108.7° | 109.5° |
| C13 | C12 | C11 | 118.7° | 120.0° |
| C12 | C13 | F3 | 112.8° | 109.5° |
| C12 | C13 | F2 | 112.7° | 109.5° |
| C12 | C11 | C10 | 122.2° | 120.1° |
| C12 | C11 | H7 | 118.9° | 120.0° |
| C11 | C10 | C14 | 120.6° | 119.9° |
| C10 | C11 | H7 | 118.9° | 119.9° |
| C10 | C14 | C16 | 113.9° | 109.5° |
| C10 | C14 | C15 | 110.7° | 109.4° |
| C10 | C14 | H8 | 107.3° | 109.5° |
| F3 | C13 | F2 | 105.8° | 109.5° |
| C16 | C14 | C15 | 110.2° | 109.5° |
| C16 | C14 | H8 | 107.3° | 109.5° |
| C14 | C16 | H9 | 108.8° | 109.5° |
| C14 | C16 | H10 | 108.8° | 109.5° |
| C14 | C15 | O2 | 117.9° | 120.0° |
| C14 | C15 | O1 | 118.2° | 120.0° |
| C15 | C14 | H8 | 107.2° | 109.5° |
| O2 | C15 | O1 | 123.9° | 120.0° |
| C15 | O1 | H13 | 109.5° | 117.0° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H3 | C17 | H5 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.4° |
| H9 | C16 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C4 | C3 | C5 | 179.9° | 179.7° |
| CL1 | C4 | C3 | C2 | 180.0° | 179.7° |
| CL1 | C4 | C5 | C6 | 179.3° | 179.7° |
| CL1 | C4 | C5 | H1 | 0.7° | 0.4° |
| CL1 | C4 | C3 | H11 | 0.0° | 0.4° |
| C4 | C3 | C2 | H11 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.8° | 0.1° |
| C4 | C3 | C2 | CL2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C3 | C4 | C5 | H1 | 179.2° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 1.3° | 0.1° |
| C4 | C5 | C6 | C7 | 179.8° | 179.9° |
| C5 | C4 | C3 | H11 | 179.8° | 180.0° |
| C3 | C2 | CL2 | C1 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.5° | 0.0° |
| C3 | C2 | C1 | H6 | 179.5° | 180.0° |
| C5 | C6 | C1 | C2 | 1.2° | 0.1° |
| C5 | C6 | C1 | C7 | 178.5° | 179.9° |
| C5 | C6 | C7 | C8 | 62.6° | 58.4° |
| C5 | C6 | C7 | C12 | 115.4° | 121.9° |
| C5 | C6 | C1 | H6 | 178.8° | 180.0° |
| CL2 | C2 | C1 | C6 | 179.5° | 180.0° |
| CL2 | C2 | C1 | H6 | 0.5° | 0.0° |
| CL2 | C2 | C3 | H11 | 0.0° | 0.1° |
| C2 | C1 | C6 | H6 | 180.0° | 180.0° |
| C2 | C1 | C6 | C7 | 179.7° | 179.9° |
| C1 | C2 | C3 | H11 | 180.0° | 179.9° |
| C1 | C6 | C7 | C8 | 115.9° | 121.5° |
| C1 | C6 | C7 | C12 | 66.1° | 58.3° |
| C1 | C6 | C5 | H1 | 178.7° | 180.0° |
| C6 | C7 | C8 | C12 | 178.0° | 179.7° |
| C6 | C7 | C8 | C9 | 179.7° | 180.0° |
| C6 | C7 | C12 | C13 | 1.4° | 0.0° |
| C6 | C7 | C12 | C11 | 179.7° | 180.0° |
| C7 | C6 | C5 | H1 | 0.1° | 0.2° |
| C6 | C7 | C8 | H2 | 0.3° | 0.0° |
| C7 | C6 | C1 | H6 | 0.3° | 0.1° |
| C7 | C8 | C9 | H2 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.1° | 0.0° |
| C8 | C7 | C12 | C13 | 179.3° | 179.8° |
| C8 | C7 | C12 | C11 | 1.7° | 0.3° |
| C7 | C8 | C9 | H12 | 178.9° | 180.0° |
| C9 | C8 | C7 | C12 | 1.7° | 0.3° |
| C8 | C9 | C10 | H12 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.3° |
| C8 | C9 | C10 | C14 | 179.8° | 180.0° |
| C7 | C12 | C13 | F1 | 41.2° | 66.6° |
| C7 | C12 | C13 | C11 | 178.9° | 180.0° |
| C7 | C12 | C11 | C10 | 1.2° | 0.0° |
| C7 | C12 | C13 | F3 | 79.1° | 173.4° |
| C7 | C12 | C13 | F2 | 161.1° | 53.3° |
| C12 | C7 | C8 | H2 | 178.3° | 179.8° |
| C7 | C12 | C11 | H7 | 178.9° | 180.0° |
| C9 | C10 | C11 | C12 | 0.5° | 0.3° |
| C9 | C10 | C11 | C14 | 179.8° | 179.8° |
| C9 | C10 | C14 | C16 | 32.7° | 60.3° |
| C9 | C10 | C14 | C15 | 92.1° | 59.7° |
| C10 | C9 | C8 | H2 | 178.9° | 180.0° |
| C9 | C10 | C11 | H7 | 179.5° | 179.7° |
| C9 | C10 | C14 | H8 | 151.2° | 179.7° |
| F1 | C13 | C12 | F3 | 120.3° | 120.0° |
| F1 | C13 | C12 | F2 | 119.9° | 119.9° |
| F1 | C13 | C12 | C11 | 139.9° | 113.4° |
| F1 | C13 | F3 | F2 | 112.0° | 120.0° |
| C17 | C16 | C14 | C10 | 70.0° | 175.0° |
| C17 | C16 | C14 | H9 | 120.4° | 120.0° |
| C17 | C16 | C14 | H10 | 120.4° | 120.0° |
| C17 | C16 | C14 | C15 | 164.9° | 65.0° |
| C16 | C17 | H3 | H4 | 120.0° | 120.1° |
| C16 | C17 | H3 | H5 | 120.0° | 120.0° |
| C16 | C17 | H4 | H5 | 120.0° | 119.9° |
| C17 | C16 | C14 | H8 | 48.6° | 55.0° |
| C17 | C16 | H9 | H10 | 118.7° | 120.0° |
| C13 | C12 | C11 | C10 | 179.9° | 180.0° |
| C12 | C13 | F3 | F2 | 123.6° | 120.0° |
| C13 | C12 | C11 | H7 | 0.1° | 0.1° |
| C12 | C11 | C10 | H7 | 180.0° | 180.0° |
| C12 | C11 | C10 | C14 | 179.7° | 180.0° |
| C11 | C12 | C13 | F3 | 99.8° | 6.6° |
| C11 | C12 | C13 | F2 | 19.9° | 126.7° |
| C11 | C10 | C14 | C16 | 147.5° | 120.0° |
| C11 | C10 | C14 | C15 | 87.7° | 120.1° |
| C11 | C10 | C14 | H8 | 29.0° | 0.0° |
| C11 | C10 | C9 | H12 | 179.5° | 179.8° |
| C10 | C14 | C16 | C15 | 125.1° | 119.9° |
| C10 | C14 | C16 | H8 | 118.6° | 120.0° |
| C10 | C14 | C15 | H8 | 116.7° | 120.0° |
| C10 | C14 | C15 | O2 | 122.2° | 0.0° |
| C10 | C14 | C15 | O1 | 57.5° | 180.0° |
| C14 | C10 | C11 | H7 | 0.3° | 0.1° |
| C10 | C14 | C16 | H9 | 169.6° | 64.9° |
| C10 | C14 | C16 | H10 | 50.4° | 55.0° |
| C14 | C10 | C9 | H12 | 0.2° | 0.0° |
| C16 | C14 | C15 | H8 | 116.4° | 120.0° |
| C16 | C14 | C15 | O2 | 4.6° | 120.0° |
| C16 | C14 | C15 | O1 | 175.7° | 60.0° |
| C14 | C16 | C17 | H3 | 180.0° | 180.0° |
| C14 | C16 | C17 | H4 | 60.0° | 59.9° |
| C14 | C16 | C17 | H5 | 60.0° | 60.0° |
| C14 | C16 | H9 | H10 | 118.7° | 120.0° |
| C14 | C15 | O2 | O1 | 179.7° | 180.0° |
| C15 | C14 | C16 | H9 | 44.5° | 55.0° |
| C15 | C14 | C16 | H10 | 74.6° | 175.0° |
| C14 | C15 | O1 | H13 | 179.7° | 180.0° |
| O2 | C15 | C14 | H8 | 121.1° | 120.0° |
| O2 | C15 | O1 | H13 | 0.0° | 0.1° |
| O1 | C15 | C14 | H8 | 59.2° | 60.0° |
| H2 | C8 | C9 | H12 | 1.1° | 0.0° |
| H3 | C17 | H4 | H5 | 120.0° | 120.0° |
| H3 | C17 | C16 | H9 | 59.5° | 60.0° |
| H3 | C17 | C16 | H10 | 59.6° | 60.0° |
| H4 | C17 | C16 | H9 | 60.4° | 60.1° |
| H4 | C17 | C16 | H10 | 179.6° | 179.9° |
| H5 | C17 | C16 | H9 | 179.6° | 180.0° |
| H5 | C17 | C16 | H10 | 60.4° | 60.0° |
| H8 | C14 | C16 | H9 | 71.9° | 175.1° |
| H8 | C14 | C16 | H10 | 169.0° | 65.0° |
