THK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| N1 | C6 | sing | 1.47Å | 1.48Å | |
| N1 | C7 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21A | sing | 1.09Å | 1.11Å | |
| C2 | H22A | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | O19 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | C20 | sing | 1.51Å | 1.43Å | |
| O19 | HO9 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C12 | sing | 1.51Å | 1.43Å | |
| C10 | S51 | sing | 1.84Å | 1.82Å | |
| C10 | S58 | sing | 1.83Å | 1.83Å | |
| C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | F18 | sing | 1.35Å | 1.36Å | |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | CL6 | sing | 1.74Å | 1.75Å | |
| C23 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| S51 | C52 | sing | 1.83Å | 1.82Å | |
| C52 | C55 | sing | 1.55Å | 1.53Å | |
| C52 | H521 | sing | 1.09Å | 1.11Å | |
| C52 | H522 | sing | 1.09Å | 1.12Å | |
| C55 | S58 | sing | 1.83Å | 1.80Å | |
| C55 | H551 | sing | 1.09Å | 1.11Å | |
| C55 | H552 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 116.1° | 107.3° |
| C2 | N1 | C7 | 112.0° | 106.7° |
| N1 | C2 | C3 | 112.1° | 109.8° |
| N1 | C2 | H21A | 111.2° | 109.4° |
| N1 | C2 | H22A | 111.3° | 109.3° |
| C6 | N1 | C7 | 107.6° | 106.7° |
| N1 | C6 | C5 | 112.0° | 109.8° |
| N1 | C6 | H61 | 111.3° | 109.4° |
| N1 | C6 | H62 | 111.3° | 109.4° |
| N1 | C7 | C8 | 112.8° | 109.4° |
| N1 | C7 | H71 | 110.9° | 109.5° |
| N1 | C7 | H72 | 110.9° | 109.5° |
| C3 | C2 | H21A | 111.3° | 109.5° |
| C3 | C2 | H22A | 111.3° | 109.4° |
| C2 | C3 | C4 | 112.6° | 109.2° |
| C2 | C3 | H31 | 111.1° | 109.5° |
| C2 | C3 | H32 | 111.1° | 109.5° |
| H21A | C2 | H22A | 99.1° | 109.4° |
| C4 | C3 | H31 | 111.1° | 109.5° |
| C4 | C3 | H32 | 111.1° | 109.5° |
| C3 | C4 | O19 | 108.5° | 109.6° |
| C3 | C4 | C5 | 107.9° | 108.9° |
| C3 | C4 | C20 | 111.9° | 109.6° |
| H31 | C3 | H32 | 99.3° | 109.5° |
| O19 | C4 | C5 | 107.2° | 109.5° |
| O19 | C4 | C20 | 105.7° | 109.5° |
| C4 | O19 | HO9 | 108.5° | 106.8° |
| C5 | C4 | C20 | 115.3° | 109.7° |
| C4 | C5 | C6 | 110.7° | 109.3° |
| C4 | C5 | H51 | 111.8° | 109.5° |
| C4 | C5 | H52 | 111.8° | 109.5° |
| C4 | C20 | C21 | 119.4° | 120.0° |
| C4 | C20 | C25 | 122.1° | 120.0° |
| C6 | C5 | H51 | 111.7° | 109.5° |
| C6 | C5 | H52 | 111.7° | 109.6° |
| C5 | C6 | H61 | 111.3° | 109.5° |
| C5 | C6 | H62 | 111.2° | 109.4° |
| H51 | C5 | H52 | 98.6° | 109.5° |
| H61 | C6 | H62 | 99.1° | 109.3° |
| C8 | C7 | H71 | 111.0° | 109.5° |
| C8 | C7 | H72 | 111.0° | 109.6° |
| C7 | C8 | C9 | 108.1° | 109.5° |
| C7 | C8 | H81 | 112.7° | 109.5° |
| C7 | C8 | H82 | 112.7° | 109.5° |
| H71 | C7 | H72 | 99.4° | 109.5° |
| C9 | C8 | H81 | 112.8° | 109.4° |
| C9 | C8 | H82 | 112.8° | 109.4° |
| C8 | C9 | C10 | 112.8° | 109.5° |
| C8 | C9 | H91 | 111.0° | 109.5° |
| C8 | C9 | H92 | 111.0° | 109.5° |
| H81 | C8 | H82 | 97.7° | 109.5° |
| C10 | C9 | H91 | 111.0° | 109.5° |
| C10 | C9 | H92 | 111.0° | 109.5° |
| C9 | C10 | C12 | 110.4° | 110.8° |
| C9 | C10 | S51 | 108.1° | 110.9° |
| C9 | C10 | S58 | 106.6° | 110.9° |
| H91 | C9 | H92 | 99.4° | 109.4° |
| C12 | C10 | S51 | 111.7° | 110.9° |
| C12 | C10 | S58 | 109.1° | 111.0° |
| C10 | C12 | C13 | 120.0° | 120.0° |
| C10 | C12 | C17 | 121.4° | 120.0° |
| S51 | C10 | S58 | 110.8° | 102.1° |
| C10 | S51 | C52 | 98.0° | 102.7° |
| C10 | S58 | C55 | 99.0° | 104.9° |
| C13 | C12 | C17 | 118.6° | 120.0° |
| C12 | C13 | C14 | 121.2° | 120.0° |
| C12 | C13 | H13 | 119.7° | 120.0° |
| C12 | C17 | C16 | 120.0° | 120.0° |
| C12 | C17 | H17 | 120.1° | 120.0° |
| C14 | C13 | H13 | 119.1° | 120.0° |
| C13 | C14 | C15 | 119.8° | 120.0° |
| C13 | C14 | H14 | 120.2° | 120.1° |
| C15 | C14 | H14 | 120.0° | 119.9° |
| C14 | C15 | F18 | 120.4° | 120.1° |
| C14 | C15 | C16 | 119.3° | 119.9° |
| F18 | C15 | C16 | 120.3° | 120.0° |
| C15 | C16 | C17 | 121.0° | 120.0° |
| C15 | C16 | H16 | 119.5° | 120.1° |
| C17 | C16 | H16 | 119.5° | 119.9° |
| C16 | C17 | H17 | 119.9° | 120.0° |
| C21 | C20 | C25 | 118.4° | 120.0° |
| C20 | C21 | C22 | 121.4° | 120.1° |
| C20 | C21 | H21 | 119.8° | 120.0° |
| C20 | C25 | C24 | 120.2° | 120.0° |
| C20 | C25 | H25 | 120.0° | 120.0° |
| C22 | C21 | H21 | 118.9° | 120.0° |
| C21 | C22 | C23 | 119.9° | 120.0° |
| C21 | C22 | H22 | 120.1° | 120.1° |
| C23 | C22 | H22 | 120.0° | 120.0° |
| C22 | C23 | CL6 | 119.3° | 120.0° |
| C22 | C23 | C24 | 119.5° | 120.0° |
| CL6 | C23 | C24 | 121.2° | 120.0° |
| C23 | C24 | C25 | 120.5° | 120.0° |
| C23 | C24 | H24 | 119.8° | 120.0° |
| C25 | C24 | H24 | 119.7° | 120.0° |
| C24 | C25 | H25 | 119.9° | 120.0° |
| S51 | C52 | C55 | 114.8° | 105.1° |
| S51 | C52 | H521 | 110.2° | 110.3° |
| S51 | C52 | H522 | 110.2° | 110.3° |
| C55 | C52 | H521 | 110.3° | 110.3° |
| C55 | C52 | H522 | 110.3° | 110.3° |
| C52 | C55 | S58 | 113.2° | 106.7° |
| C52 | C55 | H551 | 110.8° | 110.0° |
| C52 | C55 | H552 | 110.8° | 110.0° |
| H521 | C52 | H522 | 100.0° | 110.4° |
| S58 | C55 | H551 | 110.8° | 110.0° |
| S58 | C55 | H552 | 110.9° | 110.0° |
| H551 | C55 | H552 | 99.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C7 | 126.4° | 114.1° |
| N1 | C2 | C3 | H21A | 125.2° | 120.1° |
| N1 | C2 | C3 | H22A | 125.3° | 120.0° |
| N1 | C2 | H21A | H22A | 117.1° | 119.7° |
| N1 | C2 | C3 | C4 | 50.9° | 61.3° |
| N1 | C2 | C3 | H31 | 74.4° | 58.5° |
| N1 | C2 | C3 | H32 | 176.2° | 178.7° |
| C2 | N1 | C6 | C5 | 50.0° | 65.6° |
| C2 | N1 | C6 | H61 | 75.3° | 174.2° |
| C2 | N1 | C6 | H62 | 175.2° | 54.5° |
| C2 | N1 | C7 | C8 | 66.8° | 180.0° |
| C2 | N1 | C7 | H71 | 168.0° | 60.0° |
| C2 | N1 | C7 | H72 | 58.5° | 60.0° |
| C6 | N1 | C2 | C3 | 47.3° | 65.6° |
| C6 | N1 | C2 | H21A | 172.6° | 174.3° |
| C6 | N1 | C2 | H22A | 78.0° | 54.5° |
| N1 | C6 | C5 | C4 | 55.5° | 61.3° |
| N1 | C6 | C5 | H61 | 125.3° | 120.2° |
| N1 | C6 | C5 | H62 | 125.2° | 120.0° |
| N1 | C6 | C5 | H51 | 69.8° | 178.7° |
| N1 | C6 | C5 | H52 | 179.2° | 58.6° |
| N1 | C6 | H61 | H62 | 117.2° | 119.7° |
| C6 | N1 | C7 | C8 | 164.5° | 65.5° |
| C6 | N1 | C7 | H71 | 39.2° | 174.5° |
| C6 | N1 | C7 | H72 | 70.3° | 54.6° |
| C7 | N1 | C2 | C3 | 171.5° | 179.7° |
| C7 | N1 | C2 | H21A | 63.3° | 60.1° |
| C7 | N1 | C2 | H22A | 46.2° | 59.6° |
| C7 | N1 | C6 | C5 | 176.4° | 179.7° |
| C7 | N1 | C6 | H61 | 51.1° | 60.1° |
| C7 | N1 | C6 | H62 | 58.4° | 59.6° |
| N1 | C7 | C8 | H71 | 125.2° | 120.0° |
| N1 | C7 | C8 | H72 | 125.2° | 120.0° |
| N1 | C7 | H71 | H72 | 116.8° | 120.0° |
| N1 | C7 | C8 | C9 | 145.8° | 180.0° |
| N1 | C7 | C8 | H81 | 20.5° | 60.0° |
| N1 | C7 | C8 | H82 | 88.9° | 60.0° |
| C3 | C2 | H21A | H22A | 117.1° | 119.9° |
| C2 | C3 | C4 | H31 | 125.3° | 119.9° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 117.0° | 120.2° |
| C2 | C3 | C4 | O19 | 59.1° | 64.3° |
| C2 | C3 | C4 | C5 | 56.7° | 55.5° |
| C2 | C3 | C4 | C20 | 175.4° | 175.5° |
| H21A | C2 | C3 | C4 | 176.1° | 178.5° |
| H21A | C2 | C3 | H31 | 50.9° | 61.6° |
| H21A | C2 | C3 | H32 | 58.6° | 58.6° |
| H22A | C2 | C3 | C4 | 74.4° | 58.7° |
| H22A | C2 | C3 | H31 | 160.3° | 178.6° |
| H22A | C2 | C3 | H32 | 50.9° | 61.3° |
| C4 | C3 | H31 | H32 | 116.9° | 120.1° |
| C3 | C4 | O19 | C5 | 116.2° | 119.4° |
| C3 | C4 | O19 | C20 | 120.2° | 120.3° |
| C3 | C4 | C5 | C20 | 125.9° | 119.9° |
| C3 | C4 | O19 | HO9 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 58.5° | 55.6° |
| C3 | C4 | C5 | H51 | 66.8° | 175.5° |
| C3 | C4 | C5 | H52 | 176.3° | 64.4° |
| C3 | C4 | C20 | C21 | 49.7° | 150.2° |
| C3 | C4 | C20 | C25 | 129.0° | 29.5° |
| H31 | C3 | C4 | O19 | 175.6° | 175.8° |
| H31 | C3 | C4 | C5 | 68.6° | 64.4° |
| H31 | C3 | C4 | C20 | 59.3° | 55.6° |
| H32 | C3 | C4 | O19 | 66.2° | 55.7° |
| H32 | C3 | C4 | C5 | 178.0° | 175.5° |
| H32 | C3 | C4 | C20 | 50.1° | 64.5° |
| O19 | C4 | C5 | C20 | 117.4° | 120.2° |
| O19 | C4 | C5 | C6 | 58.2° | 64.3° |
| O19 | C4 | C5 | H51 | 176.6° | 55.6° |
| O19 | C4 | C5 | H52 | 67.1° | 175.7° |
| O19 | C4 | C20 | C21 | 68.3° | 30.0° |
| O19 | C4 | C20 | C25 | 113.1° | 149.8° |
| C5 | C4 | O19 | HO9 | 63.8° | 60.6° |
| C4 | C5 | C6 | H51 | 125.3° | 119.9° |
| C4 | C5 | C6 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 117.7° | 120.1° |
| C4 | C5 | C6 | H61 | 69.8° | 178.5° |
| C4 | C5 | C6 | H62 | 179.3° | 58.7° |
| C5 | C4 | C20 | C21 | 173.5° | 90.3° |
| C5 | C4 | C20 | C25 | 5.1° | 90.0° |
| C20 | C4 | O19 | HO9 | 59.8° | 59.8° |
| C20 | C4 | C5 | C6 | 175.6° | 175.5° |
| C20 | C4 | C5 | H51 | 59.2° | 64.6° |
| C20 | C4 | C5 | H52 | 50.3° | 55.5° |
| C4 | C20 | C21 | C25 | 178.7° | 179.7° |
| C4 | C20 | C21 | C22 | 175.5° | 179.9° |
| C4 | C20 | C21 | H21 | 4.5° | 0.0° |
| C4 | C20 | C25 | C24 | 175.2° | 179.8° |
| C4 | C20 | C25 | H25 | 4.8° | 0.3° |
| C6 | C5 | H51 | H52 | 117.6° | 120.1° |
| C5 | C6 | H61 | H62 | 117.1° | 119.9° |
| H51 | C5 | C6 | H61 | 164.9° | 58.6° |
| H51 | C5 | C6 | H62 | 55.5° | 61.2° |
| H52 | C5 | C6 | H61 | 55.5° | 61.5° |
| H52 | C5 | C6 | H62 | 54.0° | 178.7° |
| C8 | C7 | H71 | H72 | 116.9° | 120.1° |
| C7 | C8 | C9 | H81 | 125.2° | 120.0° |
| C7 | C8 | C9 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H82 | 118.6° | 120.1° |
| C7 | C8 | C9 | C10 | 146.0° | 180.0° |
| C7 | C8 | C9 | H91 | 20.8° | 60.0° |
| C7 | C8 | C9 | H92 | 88.7° | 59.9° |
| H71 | C7 | C8 | C9 | 89.0° | 60.0° |
| H71 | C7 | C8 | H81 | 145.7° | 180.0° |
| H71 | C7 | C8 | H82 | 36.3° | 59.9° |
| H72 | C7 | C8 | C9 | 20.5° | 60.0° |
| H72 | C7 | C8 | H81 | 104.8° | 60.0° |
| H72 | C7 | C8 | H82 | 145.8° | 179.9° |
| C9 | C8 | H81 | H82 | 118.7° | 119.9° |
| C8 | C9 | C10 | H91 | 125.2° | 120.0° |
| C8 | C9 | C10 | H92 | 125.2° | 120.0° |
| C8 | C9 | H91 | H92 | 116.8° | 119.9° |
| C8 | C9 | C10 | C12 | 65.8° | 177.2° |
| C8 | C9 | C10 | S51 | 56.7° | 59.3° |
| C8 | C9 | C10 | S58 | 175.9° | 53.4° |
| H81 | C8 | C9 | C10 | 88.7° | 60.0° |
| H81 | C8 | C9 | H91 | 146.0° | 180.0° |
| H81 | C8 | C9 | H92 | 36.5° | 60.1° |
| H82 | C8 | C9 | C10 | 20.7° | 60.0° |
| H82 | C8 | C9 | H91 | 104.5° | 60.0° |
| H82 | C8 | C9 | H92 | 146.0° | 179.9° |
| C10 | C9 | H91 | H92 | 116.9° | 120.0° |
| C9 | C10 | C12 | S51 | 120.4° | 123.6° |
| C9 | C10 | C12 | S58 | 116.8° | 123.7° |
| C9 | C10 | S51 | S58 | 116.5° | 118.2° |
| C9 | C10 | C12 | C13 | 70.1° | 90.0° |
| C9 | C10 | C12 | C17 | 106.7° | 90.2° |
| C9 | C10 | S51 | C52 | 135.8° | 96.1° |
| C9 | C10 | S58 | C55 | 137.5° | 118.6° |
| H91 | C9 | C10 | C12 | 59.5° | 57.2° |
| H91 | C9 | C10 | S51 | 178.0° | 179.3° |
| H91 | C9 | C10 | S58 | 58.9° | 66.6° |
| H92 | C9 | C10 | C12 | 169.0° | 62.8° |
| H92 | C9 | C10 | S51 | 68.5° | 60.8° |
| H92 | C9 | C10 | S58 | 50.7° | 173.5° |
| C12 | C10 | S51 | S58 | 121.8° | 118.3° |
| C10 | C12 | C13 | C17 | 176.9° | 179.8° |
| C10 | C12 | C13 | C14 | 173.9° | 179.9° |
| C10 | C12 | C13 | H13 | 6.0° | 0.1° |
| C10 | C12 | C17 | C16 | 173.7° | 179.7° |
| C10 | C12 | C17 | H17 | 6.3° | 0.2° |
| C12 | C10 | S51 | C52 | 102.5° | 140.3° |
| C12 | C10 | S58 | C55 | 103.2° | 117.8° |
| S51 | C10 | C12 | C13 | 169.6° | 33.6° |
| S51 | C10 | C12 | C17 | 13.7° | 146.2° |
| C10 | S51 | C52 | C55 | 11.3° | 41.9° |
| C10 | S51 | C52 | H521 | 136.5° | 160.7° |
| C10 | S51 | C52 | H522 | 114.0° | 77.0° |
| S51 | C10 | S58 | C55 | 20.1° | 0.4° |
| S58 | C10 | C12 | C13 | 46.8° | 146.4° |
| S58 | C10 | C12 | C17 | 136.5° | 33.5° |
| S58 | C10 | S51 | C52 | 19.3° | 22.1° |
| C10 | S58 | C55 | C52 | 12.9° | 27.8° |
| C10 | S58 | C55 | H551 | 138.2° | 91.6° |
| C10 | S58 | C55 | H552 | 112.3° | 147.1° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.6° | 0.0° |
| C12 | C13 | C14 | H14 | 179.4° | 179.9° |
| C13 | C12 | C17 | C16 | 3.1° | 0.5° |
| C13 | C12 | C17 | H17 | 176.9° | 180.0° |
| C17 | C12 | C13 | C14 | 3.0° | 0.3° |
| C17 | C12 | C13 | H13 | 177.1° | 179.8° |
| C12 | C17 | C16 | C15 | 1.0° | 0.4° |
| C12 | C17 | C16 | H17 | 180.0° | 179.5° |
| C12 | C17 | C16 | H16 | 179.0° | 179.7° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | F18 | 177.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.6° | 0.0° |
| H13 | C13 | C14 | C15 | 179.5° | 180.0° |
| H13 | C13 | C14 | H14 | 0.5° | 0.0° |
| C14 | C15 | F18 | C16 | 178.6° | 179.9° |
| C14 | C15 | C16 | C17 | 1.4° | 0.2° |
| C14 | C15 | C16 | H16 | 178.6° | 180.0° |
| H14 | C14 | C15 | F18 | 3.0° | 0.1° |
| H14 | C14 | C15 | C16 | 178.4° | 180.0° |
| F18 | C15 | C16 | C17 | 177.2° | 179.7° |
| F18 | C15 | C16 | H16 | 2.8° | 0.1° |
| C15 | C16 | C17 | H16 | 180.0° | 179.8° |
| C15 | C16 | C17 | H17 | 179.0° | 180.0° |
| H16 | C16 | C17 | H17 | 1.0° | 0.2° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.8° | 0.0° |
| C20 | C21 | C22 | H22 | 179.1° | 179.9° |
| C21 | C20 | C25 | C24 | 3.5° | 0.4° |
| C21 | C20 | C25 | H25 | 176.6° | 180.0° |
| C25 | C20 | C21 | C22 | 3.2° | 0.2° |
| C25 | C20 | C21 | H21 | 176.8° | 179.8° |
| C20 | C25 | C24 | C23 | 1.4° | 0.4° |
| C20 | C25 | C24 | H25 | 180.0° | 179.6° |
| C20 | C25 | C24 | H24 | 178.5° | 179.8° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | CL6 | 176.3° | 180.0° |
| C21 | C22 | C23 | C24 | 1.3° | 0.0° |
| H21 | C21 | C22 | C23 | 179.2° | 180.0° |
| H21 | C21 | C22 | H22 | 0.8° | 0.1° |
| C22 | C23 | CL6 | C24 | 177.5° | 180.0° |
| C22 | C23 | C24 | C25 | 1.0° | 0.2° |
| C22 | C23 | C24 | H24 | 179.0° | 179.9° |
| H22 | C22 | C23 | CL6 | 3.7° | 0.1° |
| H22 | C22 | C23 | C24 | 178.7° | 179.9° |
| CL6 | C23 | C24 | C25 | 176.5° | 179.8° |
| CL6 | C23 | C24 | H24 | 3.4° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.7° |
| C23 | C24 | C25 | H25 | 178.6° | 180.0° |
| H24 | C24 | C25 | H25 | 1.4° | 0.3° |
| S51 | C52 | C55 | H521 | 125.2° | 118.9° |
| S51 | C52 | C55 | H522 | 125.3° | 118.9° |
| S51 | C52 | H521 | H522 | 116.0° | 122.2° |
| S51 | C52 | C55 | S58 | 1.1° | 42.8° |
| S51 | C52 | C55 | H551 | 126.4° | 76.5° |
| S51 | C52 | C55 | H552 | 124.1° | 162.1° |
| C55 | C52 | H521 | H522 | 116.1° | 122.2° |
| C52 | C55 | S58 | H551 | 125.2° | 119.3° |
| C52 | C55 | S58 | H552 | 125.2° | 119.3° |
| C52 | C55 | H551 | H552 | 116.7° | 121.4° |
| H521 | C52 | C55 | S58 | 124.1° | 161.7° |
| H521 | C52 | C55 | H551 | 1.2° | 42.3° |
| H521 | C52 | C55 | H552 | 110.6° | 79.1° |
| H522 | C52 | C55 | S58 | 126.4° | 76.1° |
| H522 | C52 | C55 | H551 | 108.3° | 164.6° |
| H522 | C52 | C55 | H552 | 1.1° | 43.2° |
| S58 | C55 | H551 | H552 | 116.8° | 121.3° |
