TL6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.21Å | |
| C1 | S1 | sing | 1.79Å | 1.66Å | |
| C1 | C2 | sing | 1.42Å | 1.33Å | |
| S1 | C4 | sing | 1.84Å | 1.76Å | |
| C4 | C10 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.52Å | 1.51Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C10 | H103 | sing | 1.09Å | 1.11Å | |
| C3 | O2 | sing | 1.35Å | 1.34Å | |
| C3 | C2 | doub | 1.32Å | 1.33Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C9 | H93 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | doub | 1.33Å | 1.33Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.47Å | 1.46Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | doub | 1.33Å | 1.32Å | |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | H81 | sing | 1.08Å | 1.10Å | |
| C8 | H82 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | S1 | 120.4° | 128.2° |
| O1 | C1 | C2 | 123.3° | 128.2° |
| S1 | C1 | C2 | 116.3° | 103.6° |
| C1 | S1 | C4 | 91.3° | 97.9° |
| C1 | C2 | C3 | 112.8° | 121.3° |
| C1 | C2 | C9 | 122.8° | 119.4° |
| S1 | C4 | C10 | 110.3° | 111.1° |
| S1 | C4 | C3 | 104.6° | 100.9° |
| S1 | C4 | C5 | 109.2° | 111.2° |
| C10 | C4 | C3 | 110.0° | 111.1° |
| C10 | C4 | C5 | 111.7° | 111.0° |
| C4 | C10 | H101 | 111.9° | 109.4° |
| C4 | C10 | H102 | 110.3° | 109.5° |
| C4 | C10 | H103 | 111.9° | 109.4° |
| C3 | C4 | C5 | 110.9° | 111.2° |
| C4 | C3 | O2 | 123.1° | 121.8° |
| C4 | C3 | C2 | 113.0° | 116.3° |
| C4 | C5 | C6 | 121.7° | 120.0° |
| C4 | C5 | H5 | 125.7° | 120.0° |
| H101 | C10 | H102 | 111.9° | 109.5° |
| H101 | C10 | H103 | 98.5° | 109.5° |
| H102 | C10 | H103 | 111.9° | 109.5° |
| O2 | C3 | C2 | 124.0° | 121.8° |
| C3 | O2 | HO2 | 123.1° | 119.9° |
| C3 | C2 | C9 | 124.4° | 119.3° |
| C2 | C9 | H91 | 107.5° | 109.5° |
| C2 | C9 | H92 | 122.8° | 109.5° |
| C2 | C9 | H93 | 107.5° | 109.5° |
| H91 | C9 | H92 | 107.5° | 109.5° |
| H91 | C9 | H93 | 102.3° | 109.5° |
| H92 | C9 | H93 | 107.5° | 109.4° |
| C6 | C5 | H5 | 112.7° | 120.0° |
| C5 | C6 | C7 | 119.9° | 120.0° |
| C5 | C6 | H6 | 115.5° | 120.0° |
| C7 | C6 | H6 | 124.6° | 120.0° |
| C6 | C7 | C8 | 120.7° | 120.0° |
| C6 | C7 | H7 | 124.7° | 120.0° |
| C8 | C7 | H7 | 114.7° | 120.0° |
| C7 | C8 | H81 | 120.7° | 120.0° |
| C7 | C8 | H82 | 114.7° | 120.0° |
| H81 | C8 | H82 | 124.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | S1 | C2 | 179.5° | 179.7° |
| O1 | C1 | S1 | C4 | 170.6° | 180.0° |
| O1 | C1 | C2 | C3 | 178.2° | 179.9° |
| O1 | C1 | C2 | C9 | 1.2° | 0.2° |
| C1 | S1 | C4 | C10 | 105.8° | 118.1° |
| C1 | S1 | C4 | C3 | 12.4° | 0.2° |
| C1 | S1 | C4 | C5 | 131.1° | 117.8° |
| S1 | C1 | C2 | C3 | 1.4° | 0.4° |
| S1 | C1 | C2 | C9 | 179.3° | 179.9° |
| C2 | C1 | S1 | C4 | 8.9° | 0.3° |
| C1 | C2 | C3 | C4 | 9.1° | 0.2° |
| C1 | C2 | C3 | O2 | 170.4° | 179.7° |
| C1 | C2 | C3 | C9 | 179.4° | 179.7° |
| C1 | C2 | C9 | H91 | 54.7° | 90.3° |
| C1 | C2 | C9 | H92 | 180.0° | 29.7° |
| C1 | C2 | C9 | H93 | 54.7° | 149.7° |
| S1 | C4 | C10 | C3 | 114.9° | 111.5° |
| S1 | C4 | C10 | C5 | 121.6° | 124.2° |
| S1 | C4 | C3 | C5 | 117.6° | 118.0° |
| S1 | C4 | C10 | H101 | 54.7° | 171.5° |
| S1 | C4 | C10 | H102 | 180.0° | 68.5° |
| S1 | C4 | C10 | H103 | 54.7° | 51.5° |
| S1 | C4 | C3 | O2 | 165.0° | 179.9° |
| S1 | C4 | C3 | C2 | 14.5° | 0.0° |
| S1 | C4 | C5 | C6 | 40.8° | 8.5° |
| S1 | C4 | C5 | H5 | 139.2° | 171.6° |
| C10 | C4 | C3 | C5 | 124.0° | 124.1° |
| C4 | C10 | H101 | H102 | 124.4° | 120.0° |
| C4 | C10 | H101 | H103 | 117.8° | 119.9° |
| C4 | C10 | H102 | H103 | 125.3° | 119.9° |
| C10 | C4 | C3 | O2 | 76.5° | 62.1° |
| C10 | C4 | C3 | C2 | 104.0° | 117.9° |
| C10 | C4 | C5 | C6 | 81.4° | 115.8° |
| C10 | C4 | C5 | H5 | 98.6° | 64.2° |
| C3 | C4 | C10 | H101 | 60.2° | 60.0° |
| C3 | C4 | C10 | H102 | 65.1° | 180.0° |
| C3 | C4 | C10 | H103 | 169.6° | 60.0° |
| C4 | C3 | O2 | C2 | 179.5° | 179.9° |
| C4 | C3 | O2 | HO2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C9 | 170.2° | 179.9° |
| C3 | C4 | C5 | C6 | 155.6° | 120.1° |
| C3 | C4 | C5 | H5 | 24.4° | 60.0° |
| C5 | C4 | C10 | H101 | 176.3° | 64.2° |
| C5 | C4 | C10 | H102 | 58.4° | 55.8° |
| C5 | C4 | C10 | H103 | 66.9° | 175.8° |
| C5 | C4 | C3 | O2 | 47.4° | 62.0° |
| C5 | C4 | C3 | C2 | 132.1° | 117.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C4 | C5 | C6 | H6 | 0.1° | 0.1° |
| H101 | C10 | H102 | H103 | 109.4° | 120.1° |
| O2 | C3 | C2 | C9 | 10.2° | 0.0° |
| C2 | C3 | O2 | HO2 | 0.5° | 0.0° |
| C3 | C2 | C9 | H91 | 126.0° | 90.0° |
| C3 | C2 | C9 | H92 | 0.7° | 150.0° |
| C3 | C2 | C9 | H93 | 124.6° | 30.0° |
| C2 | C9 | H91 | H92 | 134.0° | 120.0° |
| C2 | C9 | H91 | H93 | 113.0° | 120.0° |
| C2 | C9 | H92 | H93 | 125.3° | 120.0° |
| H91 | C9 | H92 | H93 | 109.4° | 120.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 151.2° | 180.0° |
| C5 | C6 | C7 | H7 | 28.7° | 0.0° |
| H5 | C5 | C6 | C7 | 0.1° | 0.1° |
| H5 | C5 | C6 | H6 | 179.9° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | H81 | 180.0° | 0.0° |
| C6 | C7 | C8 | H82 | 0.0° | 180.0° |
| H6 | C6 | C7 | C8 | 28.8° | 0.0° |
| H6 | C6 | C7 | H7 | 151.3° | 179.9° |
| C7 | C8 | H81 | H82 | 180.0° | 180.0° |
| H7 | C7 | C8 | H81 | 0.0° | 179.9° |
| H7 | C7 | C8 | H82 | 180.0° | 0.0° |
