TLG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | C4 | sing | 1.82Å | 1.88Å | |
| S | C11 | sing | 1.77Å | 1.81Å | |
| C1 | C9 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C10 | sing | 1.51Å | 1.52Å | |
| C4 | C15 | sing | 1.50Å | 1.52Å | |
| O6 | C15 | sing | 1.34Å | 1.35Å | |
| C7 | C8 | doub | 1.33Å | 1.31Å | |
| C8 | C9 | sing | 1.47Å | 1.48Å | |
| C9 | C10 | doub | 1.33Å | 1.37Å | |
| C11 | O11 | doub | 1.22Å | 1.21Å | |
| C11 | C12 | sing | 1.46Å | 1.47Å | |
| C12 | C13 | sing | 1.46Å | 1.46Å | |
| C12 | C15 | doub | 1.35Å | 1.38Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | ONA | doub | 1.21Å | 1.23Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H7A | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | S | C11 | 94.4° | 95.5° |
| S | C4 | C3 | 107.5° | 110.2° |
| S | C4 | C10 | 107.7° | 110.3° |
| S | C4 | C15 | 104.3° | 105.3° |
| S | C11 | O11 | 122.1° | 126.5° |
| S | C11 | C12 | 108.3° | 107.1° |
| C1 | C9 | C8 | 116.0° | 120.0° |
| C1 | C9 | C10 | 119.6° | 120.0° |
| C9 | C1 | H1 | 109.5° | 109.5° |
| C9 | C1 | H1A | 109.5° | 109.5° |
| C9 | C1 | H1B | 109.4° | 109.4° |
| C3 | C4 | C10 | 117.5° | 110.2° |
| C3 | C4 | C15 | 106.1° | 110.3° |
| C4 | C3 | H3 | 109.5° | 109.5° |
| C4 | C3 | H3A | 109.4° | 109.5° |
| C4 | C3 | H3B | 109.5° | 109.5° |
| C10 | C4 | C15 | 112.9° | 110.4° |
| C4 | C10 | C9 | 127.4° | 120.0° |
| C4 | C10 | H10 | 116.3° | 120.0° |
| C4 | C15 | O6 | 118.2° | 122.6° |
| C4 | C15 | C12 | 116.4° | 114.9° |
| O6 | C15 | C12 | 125.3° | 122.5° |
| C15 | O6 | HO6 | 109.5° | 117.0° |
| C7 | C8 | C9 | 129.2° | 120.0° |
| C8 | C7 | H7 | 120.0° | 120.0° |
| C8 | C7 | H7A | 120.0° | 120.0° |
| C7 | C8 | H8 | 115.4° | 120.0° |
| C8 | C9 | C10 | 124.1° | 120.0° |
| C9 | C8 | H8 | 115.4° | 120.0° |
| C9 | C10 | H10 | 116.3° | 120.0° |
| O11 | C11 | C12 | 129.5° | 126.4° |
| C11 | C12 | C13 | 124.2° | 121.3° |
| C11 | C12 | C15 | 116.5° | 117.3° |
| C13 | C12 | C15 | 119.3° | 121.4° |
| C12 | C13 | C14 | 120.6° | 120.0° |
| C12 | C13 | ONA | 119.9° | 120.0° |
| C14 | C13 | ONA | 119.1° | 120.0° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.5° | 109.5° |
| C13 | C14 | H14B | 109.5° | 109.4° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.4° |
| H3 | C3 | H3A | 109.5° | 109.4° |
| H3 | C3 | H3B | 109.5° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.5° |
| H7 | C7 | H7A | 120.0° | 120.0° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | C4 | C3 | C10 | 121.6° | 122.0° |
| S | C4 | C3 | C15 | 111.1° | 115.9° |
| S | C4 | C10 | C15 | 114.6° | 115.9° |
| S | C4 | C15 | O6 | 172.5° | 180.0° |
| S | C4 | C10 | C9 | 59.5° | 179.1° |
| C4 | S | C11 | O11 | 176.6° | 180.0° |
| C4 | S | C11 | C12 | 1.1° | 0.0° |
| S | C4 | C15 | C12 | 3.8° | 0.0° |
| S | C4 | C3 | H3 | 180.0° | 54.9° |
| S | C4 | C3 | H3A | 60.0° | 174.8° |
| S | C4 | C3 | H3B | 60.0° | 65.1° |
| S | C4 | C10 | H10 | 120.5° | 0.9° |
| C11 | S | C4 | C3 | 113.6° | 119.0° |
| C11 | S | C4 | C10 | 118.8° | 119.1° |
| C11 | S | C4 | C15 | 1.3° | 0.0° |
| S | C11 | O11 | C12 | 177.1° | 180.0° |
| S | C11 | C12 | C13 | 177.9° | 180.0° |
| S | C11 | C12 | C15 | 3.7° | 0.0° |
| C1 | C9 | C10 | C4 | 177.2° | 179.1° |
| C1 | C9 | C8 | C7 | 5.3° | 0.3° |
| C1 | C9 | C8 | C10 | 173.7° | 180.0° |
| C9 | C1 | H1 | H1A | 120.0° | 120.1° |
| C9 | C1 | H1 | H1B | 120.0° | 119.9° |
| C9 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C9 | C8 | H8 | 174.7° | 179.6° |
| C1 | C9 | C10 | H10 | 2.8° | 0.9° |
| C3 | C4 | C10 | C15 | 123.9° | 122.1° |
| C3 | C4 | C15 | O6 | 59.1° | 61.1° |
| C3 | C4 | C10 | C9 | 62.0° | 57.1° |
| C3 | C4 | C15 | C12 | 117.1° | 118.9° |
| C4 | C3 | H3 | H3A | 120.0° | 120.0° |
| C4 | C3 | H3 | H3B | 120.0° | 120.1° |
| C4 | C3 | H3A | H3B | 120.0° | 120.1° |
| C3 | C4 | C10 | H10 | 118.0° | 122.9° |
| C10 | C4 | C15 | O6 | 70.9° | 61.0° |
| C4 | C10 | C9 | C8 | 9.3° | 0.9° |
| C4 | C10 | C9 | H10 | 180.0° | 180.0° |
| C10 | C4 | C15 | C12 | 112.9° | 119.0° |
| C10 | C4 | C3 | H3 | 58.4° | 176.9° |
| C10 | C4 | C3 | H3A | 61.6° | 63.2° |
| C10 | C4 | C3 | H3B | 178.4° | 56.8° |
| C4 | C15 | O6 | C12 | 175.9° | 180.0° |
| C15 | C4 | C10 | C9 | 174.0° | 65.0° |
| C4 | C15 | C12 | C11 | 5.1° | 0.0° |
| C4 | C15 | C12 | C13 | 176.4° | 180.0° |
| C15 | C4 | C3 | H3 | 68.9° | 61.0° |
| C15 | C4 | C3 | H3A | 171.1° | 58.9° |
| C15 | C4 | C3 | H3B | 51.1° | 179.0° |
| C4 | C15 | O6 | HO6 | 180.0° | 175.0° |
| C15 | C4 | C10 | H10 | 6.0° | 115.0° |
| O6 | C15 | C12 | C11 | 170.9° | 179.9° |
| O6 | C15 | C12 | C13 | 7.6° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 168.4° | 179.7° |
| C8 | C7 | H7 | H7A | 180.0° | 179.9° |
| C8 | C9 | C1 | H1 | 180.0° | 89.9° |
| C8 | C9 | C1 | H1A | 60.0° | 150.0° |
| C8 | C9 | C1 | H1B | 60.0° | 30.0° |
| C9 | C8 | C7 | H7 | 0.0° | 0.0° |
| C9 | C8 | C7 | H7A | 180.0° | 180.0° |
| C8 | C9 | C10 | H10 | 170.7° | 179.1° |
| C10 | C9 | C1 | H1 | 6.0° | 90.0° |
| C10 | C9 | C1 | H1A | 126.0° | 30.1° |
| C10 | C9 | C1 | H1B | 114.0° | 150.0° |
| C10 | C9 | C8 | H8 | 11.7° | 0.3° |
| O11 | C11 | C12 | C13 | 4.7° | 0.0° |
| O11 | C11 | C12 | C15 | 173.8° | 180.0° |
| C11 | C12 | C13 | C15 | 178.4° | 180.0° |
| C11 | C12 | C13 | C14 | 178.7° | 6.4° |
| C11 | C12 | C13 | ONA | 8.3° | 173.7° |
| C12 | C13 | C14 | ONA | 173.0° | 180.0° |
| C12 | C13 | C14 | H14 | 173.0° | 4.8° |
| C12 | C13 | C14 | H14A | 53.0° | 124.8° |
| C12 | C13 | C14 | H14B | 67.0° | 115.2° |
| C15 | C12 | C13 | C14 | 0.3° | 173.6° |
| C15 | C12 | C13 | ONA | 173.3° | 6.3° |
| C12 | C15 | O6 | HO6 | 4.1° | 5.0° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14B | 120.0° | 119.9° |
| C13 | C14 | H14A | H14B | 120.0° | 120.0° |
| ONA | C13 | C14 | H14 | 0.0° | 175.2° |
| ONA | C13 | C14 | H14A | 120.0° | 55.1° |
| ONA | C13 | C14 | H14B | 120.0° | 64.8° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H3 | C3 | H3A | H3B | 120.0° | 120.0° |
| H7 | C7 | C8 | H8 | 180.0° | 180.0° |
| H7A | C7 | C8 | H8 | 0.0° | 0.1° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
