TLH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C10 | sing | 1.40Å | 1.31Å | |
| C10 | F | sing | 1.40Å | 1.32Å | |
| C10 | F1 | sing | 1.40Å | 1.32Å | |
| C10 | C9 | sing | 1.51Å | 1.54Å | |
| C9 | O1 | doub | 1.21Å | 1.21Å | |
| C9 | C8 | sing | 1.46Å | 1.43Å | |
| C8 | C7 | sing | 1.46Å | 1.45Å | |
| C8 | C11 | doub | 1.35Å | 1.36Å | |
| C7 | O | doub | 1.22Å | 1.20Å | |
| C7 | S | sing | 1.77Å | 1.78Å | |
| S | C5 | sing | 1.82Å | 1.87Å | |
| C11 | O2 | sing | 1.34Å | 1.36Å | |
| C11 | C5 | sing | 1.50Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.51Å | 1.48Å | |
| C4 | C2 | doub | 1.33Å | 1.34Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.47Å | 1.45Å | |
| C1 | C | doub | 1.33Å | 1.32Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C6 | H63C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C3 | H33C | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C | HC1 | sing | 1.08Å | 1.08Å | |
| C | HC2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C10 | F | 108.4° | 109.4° |
| F2 | C10 | F1 | 103.4° | 109.5° |
| F2 | C10 | C9 | 111.8° | 109.4° |
| F | C10 | F1 | 111.8° | 109.5° |
| F | C10 | C9 | 109.9° | 109.5° |
| F1 | C10 | C9 | 111.2° | 109.5° |
| C10 | C9 | O1 | 115.1° | 120.1° |
| C10 | C9 | C8 | 118.2° | 120.0° |
| O1 | C9 | C8 | 126.5° | 120.0° |
| C9 | C8 | C7 | 115.4° | 121.4° |
| C9 | C8 | C11 | 128.1° | 121.4° |
| C7 | C8 | C11 | 116.4° | 117.3° |
| C8 | C7 | O | 126.4° | 126.4° |
| C8 | C7 | S | 108.7° | 107.1° |
| C8 | C11 | O2 | 126.3° | 122.6° |
| C8 | C11 | C5 | 116.5° | 114.9° |
| O | C7 | S | 124.1° | 126.4° |
| C7 | S | C5 | 95.4° | 95.4° |
| S | C5 | C11 | 102.4° | 105.3° |
| S | C5 | C6 | 108.2° | 110.3° |
| S | C5 | C4 | 112.6° | 110.3° |
| O2 | C11 | C5 | 116.7° | 122.6° |
| C11 | O2 | H2 | 109.5° | 117.0° |
| C11 | C5 | C6 | 107.1° | 110.1° |
| C11 | C5 | C4 | 111.2° | 110.5° |
| C6 | C5 | C4 | 114.5° | 110.3° |
| C5 | C6 | H61C | 109.5° | 109.4° |
| C5 | C6 | H62C | 109.5° | 109.5° |
| C5 | C6 | H63C | 109.5° | 109.5° |
| C5 | C4 | C2 | 131.2° | 120.0° |
| C5 | C4 | H4 | 114.4° | 120.0° |
| C4 | C2 | C3 | 118.0° | 120.0° |
| C4 | C2 | C1 | 123.3° | 120.0° |
| C2 | C4 | H4 | 114.4° | 120.0° |
| C3 | C2 | C1 | 118.7° | 120.0° |
| C2 | C3 | H31C | 109.5° | 109.5° |
| C2 | C3 | H32C | 109.5° | 109.5° |
| C2 | C3 | H33C | 109.5° | 109.5° |
| C2 | C1 | C | 127.4° | 120.0° |
| C2 | C1 | H1 | 116.3° | 120.0° |
| C | C1 | H1 | 116.3° | 120.0° |
| C1 | C | HC1 | 120.0° | 120.0° |
| C1 | C | HC2 | 120.0° | 120.0° |
| H61C | C6 | H62C | 109.5° | 109.5° |
| H61C | C6 | H63C | 109.4° | 109.5° |
| H62C | C6 | H63C | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H31C | C3 | H33C | 109.4° | 109.4° |
| H32C | C3 | H33C | 109.5° | 109.5° |
| HC1 | C | HC2 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C10 | F | F1 | 113.4° | 120.0° |
| F2 | C10 | F | C9 | 122.5° | 119.9° |
| F2 | C10 | F1 | C9 | 120.2° | 120.0° |
| F2 | C10 | C9 | O1 | 29.7° | 55.1° |
| F2 | C10 | C9 | C8 | 153.4° | 125.0° |
| F | C10 | F1 | C9 | 123.3° | 120.0° |
| F | C10 | C9 | O1 | 90.9° | 64.8° |
| F | C10 | C9 | C8 | 86.1° | 115.1° |
| F1 | C10 | C9 | O1 | 144.8° | 175.1° |
| F1 | C10 | C9 | C8 | 38.2° | 4.9° |
| C10 | C9 | O1 | C8 | 176.7° | 179.9° |
| C10 | C9 | C8 | C7 | 171.6° | 66.0° |
| C10 | C9 | C8 | C11 | 11.1° | 114.3° |
| O1 | C9 | C8 | C7 | 11.8° | 114.1° |
| O1 | C9 | C8 | C11 | 165.5° | 65.6° |
| C9 | C8 | C7 | C11 | 177.7° | 179.7° |
| C9 | C8 | C7 | O | 11.0° | 0.0° |
| C9 | C8 | C7 | S | 178.8° | 180.0° |
| C9 | C8 | C11 | O2 | 12.6° | 0.0° |
| C9 | C8 | C11 | C5 | 176.1° | 179.8° |
| C8 | C7 | O | S | 168.8° | 179.9° |
| C8 | C7 | S | C5 | 3.4° | 0.0° |
| C7 | C8 | C11 | O2 | 164.8° | 179.7° |
| C7 | C8 | C11 | C5 | 6.5° | 0.5° |
| C11 | C8 | C7 | O | 171.4° | 179.7° |
| C11 | C8 | C7 | S | 1.1° | 0.3° |
| C8 | C11 | C5 | S | 8.2° | 0.4° |
| C8 | C11 | O2 | C5 | 171.3° | 179.7° |
| C8 | C11 | C5 | C6 | 105.5° | 119.3° |
| C8 | C11 | C5 | C4 | 128.6° | 118.6° |
| C8 | C11 | O2 | H2 | 180.0° | 5.1° |
| O | C7 | S | C5 | 167.1° | 180.0° |
| C7 | S | C5 | C11 | 6.2° | 0.2° |
| C7 | S | C5 | C6 | 106.8° | 118.9° |
| C7 | S | C5 | C4 | 125.7° | 119.0° |
| S | C5 | C11 | O2 | 164.0° | 179.8° |
| S | C5 | C11 | C6 | 113.7° | 118.8° |
| S | C5 | C11 | C4 | 120.4° | 119.1° |
| S | C5 | C6 | C4 | 126.4° | 122.0° |
| S | C5 | C4 | C2 | 54.1° | 39.6° |
| S | C5 | C6 | H61C | 180.0° | 58.6° |
| S | C5 | C6 | H62C | 60.0° | 178.6° |
| S | C5 | C6 | H63C | 60.0° | 61.4° |
| S | C5 | C4 | H4 | 125.9° | 140.4° |
| O2 | C11 | C5 | C6 | 82.3° | 61.0° |
| O2 | C11 | C5 | C4 | 43.6° | 61.1° |
| C11 | C5 | C6 | C4 | 123.9° | 122.2° |
| C11 | C5 | C4 | C2 | 168.3° | 76.4° |
| C5 | C11 | O2 | H2 | 8.7° | 174.7° |
| C11 | C5 | C6 | H61C | 70.3° | 57.2° |
| C11 | C5 | C6 | H62C | 169.7° | 62.8° |
| C11 | C5 | C6 | H63C | 49.7° | 177.1° |
| C11 | C5 | C4 | H4 | 11.7° | 103.7° |
| C6 | C5 | C4 | C2 | 70.0° | 161.7° |
| C5 | C6 | H61C | H62C | 120.0° | 120.0° |
| C5 | C6 | H61C | H63C | 120.0° | 120.0° |
| C5 | C6 | H62C | H63C | 120.0° | 120.0° |
| C6 | C5 | C4 | H4 | 110.0° | 18.3° |
| C5 | C4 | C2 | H4 | 180.0° | 180.0° |
| C5 | C4 | C2 | C3 | 0.5° | 8.5° |
| C5 | C4 | C2 | C1 | 177.0° | 171.5° |
| C4 | C5 | C6 | H61C | 53.6° | 179.4° |
| C4 | C5 | C6 | H62C | 66.4° | 59.4° |
| C4 | C5 | C6 | H63C | 173.5° | 60.6° |
| C4 | C2 | C3 | C1 | 177.6° | 179.9° |
| C4 | C2 | C1 | C | 178.3° | 180.0° |
| C4 | C2 | C3 | H31C | 180.0° | 85.9° |
| C4 | C2 | C3 | H32C | 60.0° | 154.0° |
| C4 | C2 | C3 | H33C | 60.0° | 34.0° |
| C4 | C2 | C1 | H1 | 1.7° | 0.0° |
| C3 | C2 | C1 | C | 4.2° | 0.0° |
| C3 | C2 | C4 | H4 | 179.5° | 171.6° |
| C2 | C3 | H31C | H32C | 120.0° | 120.1° |
| C2 | C3 | H31C | H33C | 120.0° | 120.0° |
| C2 | C3 | H32C | H33C | 120.0° | 120.0° |
| C3 | C2 | C1 | H1 | 175.8° | 180.0° |
| C2 | C1 | C | H1 | 180.0° | 180.0° |
| C1 | C2 | C4 | H4 | 3.0° | 8.5° |
| C1 | C2 | C3 | H31C | 2.4° | 94.0° |
| C1 | C2 | C3 | H32C | 117.6° | 26.1° |
| C1 | C2 | C3 | H33C | 122.4° | 146.1° |
| C2 | C1 | C | HC1 | 180.0° | 180.0° |
| C2 | C1 | C | HC2 | 0.0° | 0.0° |
| C1 | C | HC1 | HC2 | 180.0° | 180.0° |
| H61C | C6 | H62C | H63C | 120.0° | 120.0° |
| H31C | C3 | H32C | H33C | 120.0° | 119.9° |
| H1 | C1 | C | HC1 | 0.0° | 0.0° |
| H1 | C1 | C | HC2 | 180.0° | 180.0° |
