L7D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F6 | C10 | sing | 1.40Å | 1.32Å | |
| F1 | C9 | sing | 1.40Å | 1.33Å | |
| F4 | C10 | sing | 1.40Å | 1.33Å | |
| F2 | C9 | sing | 1.40Å | 1.33Å | |
| C10 | F5 | sing | 1.40Å | 1.33Å | |
| C10 | C7 | sing | 1.53Å | 1.55Å | |
| C9 | F3 | sing | 1.40Å | 1.33Å | |
| C9 | C7 | sing | 1.53Å | 1.55Å | |
| C7 | O1 | sing | 1.43Å | 1.42Å | |
| C7 | C2 | sing | 1.51Å | 1.57Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| F7 | C14 | sing | 1.35Å | 1.36Å | |
| C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C8 | sing | 1.51Å | 1.58Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C8 | sing | 1.54Å | 1.59Å | |
| C17 | C18 | sing | 1.55Å | 1.52Å | |
| C11 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | S1 | sing | 1.76Å | 1.76Å | |
| C8 | C20 | sing | 1.54Å | 1.56Å | |
| C8 | S1 | sing | 1.81Å | 1.84Å | |
| C18 | C19 | sing | 1.55Å | 1.48Å | |
| C19 | C20 | sing | 1.54Å | 1.51Å | |
| S1 | O2 | doub | 1.42Å | 1.44Å | |
| S1 | O3 | doub | 1.42Å | 1.44Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| C6 | H16 | sing | 1.08Å | 1.08Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F6 | C10 | F4 | 106.5° | 109.5° |
| F6 | C10 | F5 | 106.9° | 109.5° |
| F6 | C10 | C7 | 111.1° | 109.5° |
| F1 | C9 | F2 | 106.9° | 109.5° |
| F1 | C9 | F3 | 106.8° | 109.4° |
| F1 | C9 | C7 | 111.5° | 109.5° |
| F4 | C10 | F5 | 107.4° | 109.4° |
| F4 | C10 | C7 | 113.3° | 109.5° |
| F2 | C9 | F3 | 107.2° | 109.5° |
| F2 | C9 | C7 | 112.2° | 109.5° |
| F5 | C10 | C7 | 111.3° | 109.5° |
| C10 | C7 | C9 | 109.5° | 109.4° |
| C10 | C7 | O1 | 103.9° | 109.4° |
| C10 | C7 | C2 | 113.3° | 109.4° |
| F3 | C9 | C7 | 112.0° | 109.4° |
| C9 | C7 | O1 | 103.2° | 109.5° |
| C9 | C7 | C2 | 115.6° | 109.5° |
| O1 | C7 | C2 | 110.3° | 109.5° |
| C7 | O1 | H17 | 109.5° | 114.0° |
| C7 | C2 | C3 | 124.3° | 120.0° |
| C7 | C2 | C1 | 117.8° | 120.0° |
| C3 | C2 | C1 | 117.6° | 120.0° |
| C2 | C3 | C4 | 121.1° | 120.0° |
| C2 | C3 | H14 | 119.5° | 120.0° |
| C2 | C1 | C6 | 121.2° | 120.0° |
| C2 | C1 | H13 | 119.4° | 120.1° |
| C3 | C4 | C5 | 121.1° | 120.0° |
| C4 | C3 | H14 | 119.5° | 120.0° |
| C3 | C4 | H15 | 119.4° | 120.0° |
| F7 | C14 | C13 | 118.2° | 120.0° |
| F7 | C14 | C15 | 118.2° | 120.0° |
| C1 | C6 | C5 | 121.3° | 119.9° |
| C6 | C1 | H13 | 119.4° | 119.9° |
| C1 | C6 | H16 | 119.4° | 120.0° |
| C4 | C5 | C6 | 117.5° | 120.0° |
| C4 | C5 | C8 | 122.4° | 120.0° |
| C5 | C4 | H15 | 119.5° | 120.0° |
| C14 | C13 | C12 | 118.3° | 120.0° |
| C13 | C14 | C15 | 123.3° | 120.0° |
| C14 | C13 | H1 | 120.8° | 120.0° |
| C13 | C12 | C11 | 119.5° | 120.0° |
| C12 | C13 | H1 | 120.8° | 120.0° |
| C13 | C12 | H12 | 120.3° | 119.9° |
| C14 | C15 | C16 | 118.3° | 119.9° |
| C14 | C15 | H7 | 120.9° | 120.0° |
| C6 | C5 | C8 | 119.9° | 120.0° |
| C5 | C6 | H16 | 119.4° | 120.0° |
| C5 | C8 | C17 | 112.0° | 110.0° |
| C5 | C8 | C20 | 111.3° | 110.0° |
| C5 | C8 | S1 | 114.5° | 110.0° |
| C12 | C11 | C16 | 120.8° | 120.0° |
| C12 | C11 | S1 | 119.5° | 120.0° |
| C11 | C12 | H12 | 120.3° | 120.0° |
| C15 | C16 | C11 | 119.5° | 120.1° |
| C15 | C16 | H6 | 120.2° | 119.9° |
| C16 | C15 | H7 | 120.8° | 120.0° |
| C8 | C17 | C18 | 109.3° | 104.2° |
| C17 | C8 | C20 | 98.9° | 106.6° |
| C17 | C8 | S1 | 109.9° | 110.1° |
| C8 | C17 | H4 | 109.5° | 110.5° |
| C8 | C17 | H5 | 109.5° | 110.5° |
| C17 | C18 | C19 | 106.0° | 102.8° |
| C17 | C18 | H2 | 110.3° | 110.8° |
| C17 | C18 | H3 | 110.3° | 111.0° |
| C18 | C17 | H4 | 109.5° | 110.5° |
| C18 | C17 | H5 | 109.5° | 110.5° |
| C16 | C11 | S1 | 119.5° | 120.0° |
| C11 | C16 | H6 | 120.2° | 120.0° |
| C11 | S1 | C8 | 104.4° | 104.5° |
| C11 | S1 | O2 | 107.8° | 104.3° |
| C11 | S1 | O3 | 107.7° | 104.3° |
| C20 | C8 | S1 | 109.2° | 110.1° |
| C8 | C20 | C19 | 106.1° | 106.6° |
| C8 | C20 | H10 | 110.3° | 110.0° |
| C8 | C20 | H11 | 110.3° | 110.1° |
| C8 | S1 | O2 | 109.1° | 110.5° |
| C8 | S1 | O3 | 109.2° | 110.5° |
| C18 | C19 | C20 | 105.4° | 104.2° |
| C19 | C18 | H2 | 110.4° | 110.7° |
| C19 | C18 | H3 | 110.3° | 110.8° |
| C18 | C19 | H8 | 110.5° | 110.5° |
| C18 | C19 | H9 | 110.5° | 110.5° |
| C20 | C19 | H8 | 110.5° | 110.5° |
| C20 | C19 | H9 | 110.5° | 110.5° |
| C19 | C20 | H10 | 110.3° | 110.0° |
| C19 | C20 | H11 | 110.3° | 110.0° |
| O2 | S1 | O3 | 117.7° | 121.0° |
| H2 | C18 | H3 | 109.5° | 110.6° |
| H4 | C17 | H5 | 109.5° | 110.5° |
| H8 | C19 | H9 | 109.5° | 110.5° |
| H10 | C20 | H11 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F6 | C10 | F4 | F5 | 114.2° | 120.0° |
| F6 | C10 | F4 | C7 | 122.4° | 120.0° |
| F6 | C10 | F5 | C7 | 121.5° | 120.0° |
| F6 | C10 | C7 | C9 | 57.2° | 60.0° |
| F6 | C10 | C7 | O1 | 52.5° | 180.0° |
| F6 | C10 | C7 | C2 | 172.2° | 60.0° |
| F1 | C9 | F2 | F3 | 114.2° | 120.0° |
| F1 | C9 | F2 | C7 | 122.5° | 120.1° |
| F1 | C9 | C7 | C10 | 61.3° | 55.0° |
| F1 | C9 | F3 | C7 | 122.3° | 120.0° |
| F1 | C9 | C7 | O1 | 48.9° | 175.0° |
| F1 | C9 | C7 | C2 | 169.3° | 64.9° |
| F4 | C10 | F5 | C7 | 124.6° | 120.0° |
| F4 | C10 | C7 | C9 | 62.7° | 180.0° |
| F4 | C10 | C7 | O1 | 172.4° | 60.0° |
| F4 | C10 | C7 | C2 | 68.0° | 60.0° |
| F2 | C9 | C7 | C10 | 58.5° | 65.0° |
| F2 | C9 | F3 | C7 | 123.5° | 120.0° |
| F2 | C9 | C7 | O1 | 168.7° | 54.9° |
| F2 | C9 | C7 | C2 | 70.9° | 175.0° |
| F5 | C10 | C7 | C9 | 176.2° | 60.0° |
| F5 | C10 | C7 | O1 | 66.5° | 60.0° |
| F5 | C10 | C7 | C2 | 53.2° | 180.0° |
| C10 | C7 | C9 | F3 | 179.1° | 175.0° |
| C10 | C7 | C9 | O1 | 110.2° | 119.9° |
| C10 | C7 | C9 | C2 | 129.4° | 120.0° |
| C10 | C7 | O1 | C2 | 121.7° | 120.0° |
| C10 | C7 | C2 | C3 | 69.4° | 59.9° |
| C10 | C7 | C2 | C1 | 116.4° | 120.2° |
| C10 | C7 | O1 | H17 | 180.0° | 60.0° |
| F3 | C9 | C7 | O1 | 70.7° | 65.1° |
| F3 | C9 | C7 | C2 | 49.8° | 55.0° |
| C9 | C7 | O1 | C2 | 124.0° | 120.1° |
| C9 | C7 | C2 | C3 | 58.1° | 60.1° |
| C9 | C7 | C2 | C1 | 116.1° | 119.8° |
| C9 | C7 | O1 | H17 | 65.7° | 180.0° |
| O1 | C7 | C2 | C3 | 174.6° | 179.9° |
| O1 | C7 | C2 | C1 | 0.4° | 0.2° |
| C7 | C2 | C3 | C1 | 174.3° | 179.9° |
| C7 | C2 | C3 | C4 | 170.7° | 180.0° |
| C7 | C2 | C1 | C6 | 171.4° | 180.0° |
| C7 | C2 | C1 | H13 | 8.6° | 0.2° |
| C7 | C2 | C3 | H14 | 9.3° | 0.2° |
| C2 | C7 | O1 | H17 | 58.3° | 59.9° |
| C2 | C3 | C4 | H14 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 3.2° | 0.1° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C1 | H13 | 176.8° | 179.7° |
| C2 | C3 | C4 | H15 | 179.7° | 179.9° |
| C1 | C2 | C3 | C4 | 3.5° | 0.1° |
| C2 | C1 | C6 | H13 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 0.3° | 0.1° |
| C1 | C2 | C3 | H14 | 176.5° | 179.9° |
| C2 | C1 | C6 | H16 | 179.7° | 179.7° |
| C3 | C4 | C5 | H15 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 3.3° | 0.0° |
| C3 | C4 | C5 | C8 | 172.7° | 180.0° |
| F7 | C14 | C13 | C15 | 173.0° | 179.9° |
| F7 | C14 | C13 | C12 | 168.4° | 179.9° |
| F7 | C14 | C15 | C16 | 168.4° | 179.9° |
| F7 | C14 | C13 | H1 | 11.6° | 0.3° |
| F7 | C14 | C15 | H7 | 11.6° | 0.0° |
| C1 | C6 | C5 | C4 | 3.6° | 0.0° |
| C1 | C6 | C5 | H16 | 180.0° | 179.7° |
| C1 | C6 | C5 | C8 | 172.5° | 180.0° |
| C4 | C5 | C6 | C8 | 176.2° | 180.0° |
| C4 | C5 | C8 | C17 | 1.6° | 151.8° |
| C4 | C5 | C8 | C20 | 111.2° | 34.7° |
| C4 | C5 | C8 | S1 | 124.4° | 86.8° |
| C5 | C4 | C3 | H14 | 179.7° | 179.9° |
| C4 | C5 | C6 | H16 | 176.4° | 179.6° |
| C14 | C13 | C12 | H1 | 180.0° | 179.6° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C13 | C14 | C15 | C16 | 4.6° | 0.0° |
| C13 | C14 | C15 | H7 | 175.4° | 180.0° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 4.6° | 0.0° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 4.5° | 0.0° |
| C13 | C12 | C11 | S1 | 170.0° | 180.0° |
| C14 | C15 | C16 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | C11 | 0.1° | 0.0° |
| C15 | C14 | C13 | H1 | 175.4° | 179.7° |
| C14 | C15 | C16 | H6 | 179.9° | 180.0° |
| C6 | C5 | C8 | C17 | 177.6° | 28.2° |
| C6 | C5 | C8 | C20 | 72.8° | 145.4° |
| C6 | C5 | C8 | S1 | 51.6° | 93.2° |
| C5 | C6 | C1 | H13 | 179.7° | 179.8° |
| C6 | C5 | C4 | H15 | 176.7° | 179.9° |
| C5 | C8 | C17 | C20 | 117.3° | 119.3° |
| C5 | C8 | C17 | S1 | 128.5° | 121.4° |
| C5 | C8 | C17 | C18 | 98.8° | 142.9° |
| C5 | C8 | S1 | C11 | 62.9° | 56.8° |
| C5 | C8 | C20 | S1 | 127.4° | 121.4° |
| C5 | C8 | C20 | C19 | 83.7° | 119.3° |
| C5 | C8 | S1 | O2 | 52.1° | 168.5° |
| C5 | C8 | S1 | O3 | 177.9° | 54.9° |
| C5 | C8 | C17 | H4 | 141.2° | 24.2° |
| C5 | C8 | C17 | H5 | 21.1° | 98.4° |
| C5 | C8 | C20 | H10 | 35.8° | 121.4° |
| C5 | C8 | C20 | H11 | 156.9° | 0.0° |
| C8 | C5 | C4 | H15 | 7.2° | 0.1° |
| C8 | C5 | C6 | H16 | 7.5° | 0.3° |
| C12 | C11 | C16 | C15 | 4.5° | 0.1° |
| C12 | C11 | C16 | S1 | 174.5° | 180.0° |
| C12 | C11 | S1 | C8 | 77.9° | 87.5° |
| C12 | C11 | S1 | O2 | 38.0° | 28.6° |
| C12 | C11 | S1 | O3 | 166.0° | 156.4° |
| C11 | C12 | C13 | H1 | 180.0° | 179.7° |
| C12 | C11 | C16 | H6 | 175.5° | 180.0° |
| C15 | C16 | C11 | H6 | 180.0° | 180.0° |
| C15 | C16 | C11 | S1 | 169.9° | 180.0° |
| C8 | C17 | C18 | H4 | 120.0° | 118.7° |
| C8 | C17 | C18 | H5 | 119.9° | 118.7° |
| C17 | C8 | S1 | C11 | 64.2° | 178.2° |
| C17 | C8 | C20 | S1 | 114.8° | 119.4° |
| C8 | C17 | C18 | C19 | 3.8° | 37.9° |
| C17 | C8 | C20 | C19 | 34.2° | 0.0° |
| C17 | C8 | S1 | O2 | 179.2° | 70.2° |
| C17 | C8 | S1 | O3 | 50.8° | 66.5° |
| C8 | C17 | C18 | H2 | 115.6° | 80.4° |
| C8 | C17 | C18 | H3 | 123.3° | 156.4° |
| C8 | C17 | H4 | H5 | 120.1° | 122.6° |
| C17 | C8 | C20 | H10 | 153.7° | 119.3° |
| C17 | C8 | C20 | H11 | 85.3° | 119.3° |
| C18 | C17 | C8 | C20 | 18.5° | 23.6° |
| C18 | C17 | C8 | S1 | 132.7° | 95.8° |
| C17 | C18 | C19 | H2 | 119.4° | 118.3° |
| C17 | C18 | C19 | H3 | 119.5° | 118.6° |
| C17 | C18 | C19 | C20 | 25.8° | 37.9° |
| C17 | C18 | H2 | H3 | 121.6° | 123.4° |
| C18 | C17 | H4 | H5 | 120.1° | 122.6° |
| C17 | C18 | C19 | H8 | 145.2° | 156.6° |
| C17 | C18 | C19 | H9 | 93.5° | 80.7° |
| C16 | C11 | S1 | C8 | 96.6° | 92.5° |
| C16 | C11 | S1 | O2 | 147.5° | 151.5° |
| C16 | C11 | S1 | O3 | 19.4° | 23.6° |
| C11 | C16 | C15 | H7 | 179.9° | 179.9° |
| C16 | C11 | C12 | H12 | 175.5° | 179.9° |
| C11 | S1 | C8 | C20 | 171.6° | 64.6° |
| C11 | S1 | C8 | O2 | 115.0° | 111.7° |
| C11 | S1 | C8 | O3 | 115.0° | 111.7° |
| C11 | S1 | O2 | O3 | 122.1° | 116.8° |
| S1 | C11 | C16 | H6 | 10.1° | 0.0° |
| S1 | C11 | C12 | H12 | 10.0° | 0.0° |
| C8 | C20 | C19 | C18 | 39.1° | 23.6° |
| C8 | C20 | C19 | H10 | 119.5° | 119.3° |
| C8 | C20 | C19 | H11 | 119.5° | 119.4° |
| C20 | C8 | S1 | O2 | 73.4° | 47.1° |
| C20 | C8 | S1 | O3 | 56.6° | 176.2° |
| C20 | C8 | C17 | H4 | 101.5° | 95.0° |
| C20 | C8 | C17 | H5 | 138.5° | 142.3° |
| C8 | C20 | C19 | H8 | 158.5° | 142.3° |
| C8 | C20 | C19 | H9 | 80.2° | 95.1° |
| C8 | C20 | H10 | H11 | 121.6° | 121.5° |
| S1 | C8 | C20 | C19 | 148.9° | 119.3° |
| C8 | S1 | O2 | O3 | 125.1° | 131.5° |
| S1 | C8 | C17 | H4 | 12.7° | 145.6° |
| S1 | C8 | C17 | H5 | 107.3° | 22.9° |
| S1 | C8 | C20 | H10 | 91.6° | 0.0° |
| S1 | C8 | C20 | H11 | 29.5° | 121.3° |
| C18 | C19 | C20 | H8 | 119.3° | 118.7° |
| C18 | C19 | C20 | H9 | 119.3° | 118.6° |
| C19 | C18 | H2 | H3 | 121.6° | 123.2° |
| C19 | C18 | C17 | H4 | 123.8° | 80.8° |
| C19 | C18 | C17 | H5 | 116.1° | 156.6° |
| C18 | C19 | H8 | H9 | 121.9° | 122.6° |
| C18 | C19 | C20 | H10 | 158.6° | 95.7° |
| C18 | C19 | C20 | H11 | 80.3° | 143.0° |
| C20 | C19 | C18 | H2 | 93.6° | 80.4° |
| C20 | C19 | C18 | H3 | 145.3° | 156.5° |
| C20 | C19 | H8 | H9 | 121.9° | 122.6° |
| C19 | C20 | H10 | H11 | 121.6° | 121.3° |
| H1 | C13 | C12 | H12 | 0.0° | 0.4° |
| H2 | C18 | C17 | H4 | 4.3° | 160.9° |
| H2 | C18 | C17 | H5 | 124.4° | 38.3° |
| H2 | C18 | C19 | H8 | 25.7° | 38.3° |
| H2 | C18 | C19 | H9 | 147.0° | 160.9° |
| H3 | C18 | C17 | H4 | 116.7° | 37.7° |
| H3 | C18 | C17 | H5 | 3.3° | 84.9° |
| H3 | C18 | C19 | H8 | 95.4° | 84.8° |
| H3 | C18 | C19 | H9 | 25.9° | 37.8° |
| H6 | C16 | C15 | H7 | 0.1° | 0.0° |
| H8 | C19 | C20 | H10 | 82.1° | 23.0° |
| H8 | C19 | C20 | H11 | 39.0° | 98.3° |
| H9 | C19 | C20 | H10 | 39.3° | 145.7° |
| H9 | C19 | C20 | H11 | 160.3° | 24.4° |
| H13 | C1 | C6 | H16 | 0.3° | 0.1° |
| H14 | C3 | C4 | H15 | 0.3° | 0.0° |
