C3S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C65 | C63 | sing | 1.53Å | 1.56Å | |
| C65 | H651 | sing | 1.09Å | 1.11Å | |
| C65 | H652 | sing | 1.09Å | 1.11Å | |
| C65 | H653 | sing | 1.09Å | 1.12Å | |
| C63 | C69 | sing | 1.53Å | 1.54Å | |
| C63 | C60 | sing | 1.53Å | 1.55Å | |
| C63 | H63 | sing | 1.09Å | 1.12Å | |
| C69 | H691 | sing | 1.09Å | 1.11Å | |
| C69 | H692 | sing | 1.09Å | 1.12Å | |
| C69 | H693 | sing | 1.09Å | 1.11Å | |
| C60 | C57 | sing | 1.53Å | 1.56Å | |
| C60 | H601 | sing | 1.09Å | 1.11Å | |
| C60 | H602 | sing | 1.09Å | 1.11Å | |
| C57 | C54 | sing | 1.53Å | 1.55Å | |
| C57 | H571 | sing | 1.09Å | 1.12Å | |
| C57 | H572 | sing | 1.09Å | 1.12Å | |
| C54 | C48 | sing | 1.53Å | 1.56Å | |
| C54 | H541 | sing | 1.09Å | 1.12Å | |
| C54 | H542 | sing | 1.09Å | 1.11Å | |
| C48 | C50 | sing | 1.53Å | 1.54Å | |
| C48 | C38 | sing | 1.53Å | 1.54Å | |
| C48 | H48 | sing | 1.09Å | 1.11Å | |
| C50 | H501 | sing | 1.09Å | 1.11Å | |
| C50 | H502 | sing | 1.09Å | 1.11Å | |
| C50 | H503 | sing | 1.09Å | 1.12Å | |
| C38 | C35 | sing | 1.55Å | 1.57Å | |
| C38 | C29 | sing | 1.53Å | 1.57Å | |
| C38 | H38 | sing | 1.09Å | 1.12Å | |
| C35 | C32 | sing | 1.55Å | 1.56Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C29 | C26 | sing | 1.53Å | 1.55Å | |
| C29 | C40 | sing | 1.53Å | 1.55Å | |
| C29 | C30 | sing | 1.55Å | 1.54Å | |
| C26 | C23 | sing | 1.54Å | 1.56Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C40 | H401 | sing | 1.09Å | 1.12Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å | |
| C40 | H403 | sing | 1.09Å | 1.12Å | |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C30 | C18 | sing | 1.52Å | 1.55Å | |
| C30 | H30 | sing | 1.09Å | 1.12Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C18 | C15 | sing | 1.53Å | 1.55Å | |
| C18 | C20 | sing | 1.53Å | 1.55Å | |
| C18 | H18 | sing | 1.09Å | 1.11Å | |
| C15 | C13 | sing | 1.50Å | 1.50Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C20 | C23 | sing | 1.53Å | 1.57Å | |
| C20 | C22 | sing | 1.52Å | 1.57Å | |
| C20 | H20 | sing | 1.09Å | 1.12Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C22 | C44 | sing | 1.53Å | 1.56Å | |
| C22 | C12 | sing | 1.50Å | 1.53Å | |
| C22 | C1 | sing | 1.53Å | 1.55Å | |
| C44 | H441 | sing | 1.09Å | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C44 | H443 | sing | 1.09Å | 1.11Å | |
| C12 | C9 | sing | 1.52Å | 1.52Å | |
| C12 | C13 | doub | 1.30Å | 1.35Å | |
| C9 | C7 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C1 | C4 | sing | 1.53Å | 1.55Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C4 | C7 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C7 | O6 | sing | 1.43Å | 1.45Å | |
| C7 | H7 | sing | 1.09Å | 1.12Å | |
| O6 | S1 | sing | 1.52Å | 1.53Å | |
| S1 | O3 | sing | 1.52Å | 1.47Å | |
| S1 | O2 | doub | 1.42Å | 1.44Å | |
| S1 | O4 | doub | 1.42Å | 1.48Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C63 | C65 | H651 | 106.9° | 109.5° |
| C63 | C65 | H652 | 113.2° | 109.4° |
| C63 | C65 | H653 | 113.2° | 109.5° |
| C65 | C63 | C69 | 106.9° | 109.4° |
| C65 | C63 | C60 | 109.4° | 109.5° |
| C65 | C63 | H63 | 112.6° | 109.4° |
| H651 | C65 | H652 | 113.3° | 109.4° |
| H651 | C65 | H653 | 113.1° | 109.5° |
| H652 | C65 | H653 | 97.3° | 109.5° |
| C69 | C63 | C60 | 113.3° | 109.5° |
| C69 | C63 | H63 | 108.7° | 109.5° |
| C63 | C69 | H691 | 106.9° | 109.5° |
| C63 | C69 | H692 | 113.2° | 109.5° |
| C63 | C69 | H693 | 113.2° | 109.5° |
| C60 | C63 | H63 | 106.1° | 109.5° |
| C63 | C60 | C57 | 118.8° | 109.5° |
| C63 | C60 | H601 | 108.8° | 109.5° |
| C63 | C60 | H602 | 108.8° | 109.5° |
| H691 | C69 | H692 | 113.1° | 109.4° |
| H691 | C69 | H693 | 113.2° | 109.5° |
| H692 | C69 | H693 | 97.3° | 109.5° |
| C57 | C60 | H601 | 108.9° | 109.4° |
| C57 | C60 | H602 | 108.8° | 109.5° |
| C60 | C57 | C54 | 111.4° | 109.5° |
| C60 | C57 | H571 | 111.5° | 109.5° |
| C60 | C57 | H572 | 111.5° | 109.4° |
| H601 | C60 | H602 | 101.3° | 109.5° |
| C54 | C57 | H571 | 111.5° | 109.4° |
| C54 | C57 | H572 | 111.5° | 109.5° |
| C57 | C54 | C48 | 116.2° | 109.5° |
| C57 | C54 | H541 | 109.8° | 109.4° |
| C57 | C54 | H542 | 109.8° | 109.5° |
| H571 | C57 | H572 | 98.9° | 109.5° |
| C48 | C54 | H541 | 109.8° | 109.5° |
| C48 | C54 | H542 | 109.8° | 109.5° |
| C54 | C48 | C50 | 109.6° | 109.5° |
| C54 | C48 | C38 | 110.6° | 109.5° |
| C54 | C48 | H48 | 107.7° | 109.5° |
| H541 | C54 | H542 | 100.4° | 109.5° |
| C50 | C48 | C38 | 106.5° | 109.4° |
| C50 | C48 | H48 | 111.7° | 109.5° |
| C48 | C50 | H501 | 109.6° | 109.5° |
| C48 | C50 | H502 | 112.2° | 109.5° |
| C48 | C50 | H503 | 112.1° | 109.4° |
| C38 | C48 | H48 | 110.7° | 109.5° |
| C48 | C38 | C35 | 111.0° | 110.2° |
| C48 | C38 | C29 | 120.7° | 110.3° |
| C48 | C38 | H38 | 98.8° | 110.3° |
| H501 | C50 | H502 | 112.2° | 109.4° |
| H501 | C50 | H503 | 112.1° | 109.5° |
| H502 | C50 | H503 | 98.3° | 109.5° |
| C35 | C38 | C29 | 105.1° | 105.4° |
| C35 | C38 | H38 | 116.2° | 110.3° |
| C38 | C35 | C32 | 106.3° | 106.4° |
| C38 | C35 | H351 | 113.4° | 110.1° |
| C38 | C35 | H352 | 113.4° | 110.1° |
| C29 | C38 | H38 | 105.4° | 110.2° |
| C38 | C29 | C26 | 119.6° | 117.8° |
| C38 | C29 | C40 | 110.3° | 110.0° |
| C38 | C29 | C30 | 99.4° | 103.2° |
| C32 | C35 | H351 | 113.4° | 110.0° |
| C32 | C35 | H352 | 113.4° | 110.1° |
| C35 | C32 | C30 | 103.8° | 103.0° |
| C35 | C32 | H321 | 114.3° | 110.8° |
| C35 | C32 | H322 | 114.4° | 110.6° |
| H351 | C35 | H352 | 97.1° | 110.2° |
| C26 | C29 | C40 | 108.4° | 109.9° |
| C26 | C29 | C30 | 105.4° | 107.9° |
| C29 | C26 | C23 | 110.0° | 108.4° |
| C29 | C26 | H261 | 112.0° | 107.4° |
| C29 | C26 | H262 | 112.0° | 111.2° |
| C40 | C29 | C30 | 113.5° | 107.4° |
| C29 | C40 | H401 | 110.3° | 109.4° |
| C29 | C40 | H402 | 111.9° | 109.5° |
| C29 | C40 | H403 | 111.9° | 109.5° |
| C29 | C30 | C32 | 106.4° | 101.8° |
| C29 | C30 | C18 | 111.0° | 107.9° |
| C29 | C30 | H30 | 112.4° | 110.4° |
| C23 | C26 | H261 | 112.0° | 110.0° |
| C23 | C26 | H262 | 112.0° | 109.9° |
| C26 | C23 | C20 | 112.5° | 111.7° |
| C26 | C23 | H231 | 111.1° | 109.0° |
| C26 | C23 | H232 | 111.1° | 109.1° |
| H261 | C26 | H262 | 98.4° | 110.0° |
| H401 | C40 | H402 | 111.9° | 109.5° |
| H401 | C40 | H403 | 111.9° | 109.5° |
| H402 | C40 | H403 | 98.6° | 109.5° |
| C32 | C30 | C18 | 114.5° | 115.8° |
| C32 | C30 | H30 | 108.7° | 110.3° |
| C30 | C32 | H321 | 114.3° | 110.8° |
| C30 | C32 | H322 | 114.4° | 110.7° |
| C18 | C30 | H30 | 103.9° | 110.3° |
| C30 | C18 | C15 | 109.5° | 109.6° |
| C30 | C18 | C20 | 108.8° | 107.6° |
| C30 | C18 | H18 | 110.7° | 110.3° |
| H321 | C32 | H322 | 96.1° | 110.7° |
| C15 | C18 | C20 | 111.6° | 109.0° |
| C15 | C18 | H18 | 107.8° | 110.2° |
| C18 | C15 | C13 | 112.8° | 109.2° |
| C18 | C15 | H151 | 111.0° | 109.5° |
| C18 | C15 | H152 | 111.0° | 109.5° |
| C20 | C18 | H18 | 108.5° | 110.2° |
| C18 | C20 | C23 | 110.9° | 112.5° |
| C18 | C20 | C22 | 113.5° | 110.6° |
| C18 | C20 | H20 | 107.4° | 107.2° |
| C13 | C15 | H151 | 111.0° | 109.5° |
| C13 | C15 | H152 | 111.0° | 109.5° |
| C15 | C13 | C12 | 124.2° | 123.0° |
| C15 | C13 | H13 | 123.8° | 118.5° |
| H151 | C15 | H152 | 99.4° | 109.6° |
| C23 | C20 | C22 | 114.2° | 109.8° |
| C23 | C20 | H20 | 106.6° | 108.3° |
| C20 | C23 | H231 | 111.1° | 109.0° |
| C20 | C23 | H232 | 111.1° | 109.0° |
| C22 | C20 | H20 | 103.4° | 108.3° |
| C20 | C22 | C44 | 109.9° | 106.7° |
| C20 | C22 | C12 | 110.8° | 113.9° |
| C20 | C22 | C1 | 110.4° | 110.5° |
| H231 | C23 | H232 | 99.3° | 109.0° |
| C44 | C22 | C12 | 111.1° | 108.1° |
| C44 | C22 | C1 | 107.8° | 108.1° |
| C22 | C44 | H441 | 109.9° | 109.4° |
| C22 | C44 | H442 | 112.0° | 109.4° |
| C22 | C44 | H443 | 112.0° | 109.4° |
| C12 | C22 | C1 | 106.7° | 109.4° |
| C22 | C12 | C9 | 118.1° | 117.8° |
| C22 | C12 | C13 | 124.4° | 123.9° |
| C22 | C1 | C4 | 112.4° | 109.4° |
| C22 | C1 | H11 | 111.2° | 109.5° |
| C22 | C1 | H12 | 111.2° | 109.4° |
| H441 | C44 | H442 | 112.1° | 109.5° |
| H441 | C44 | H443 | 112.0° | 109.5° |
| H442 | C44 | H443 | 98.5° | 109.6° |
| C9 | C12 | C13 | 117.5° | 118.3° |
| C12 | C9 | C7 | 115.0° | 108.4° |
| C12 | C9 | H91 | 110.2° | 109.7° |
| C12 | C9 | H92 | 110.2° | 109.6° |
| C12 | C13 | H13 | 112.0° | 118.5° |
| C7 | C9 | H91 | 110.2° | 109.7° |
| C7 | C9 | H92 | 110.2° | 109.8° |
| C9 | C7 | C4 | 108.8° | 109.4° |
| C9 | C7 | O6 | 102.1° | 109.5° |
| C9 | C7 | H7 | 115.4° | 109.5° |
| H91 | C9 | H92 | 100.1° | 109.7° |
| C4 | C1 | H11 | 111.1° | 109.5° |
| C4 | C1 | H12 | 111.1° | 109.5° |
| C1 | C4 | C7 | 111.7° | 109.8° |
| C1 | C4 | H41 | 111.4° | 109.4° |
| C1 | C4 | H42 | 111.4° | 109.4° |
| H11 | C1 | H12 | 99.2° | 109.5° |
| C7 | C4 | H41 | 111.4° | 109.4° |
| C7 | C4 | H42 | 111.4° | 109.4° |
| C4 | C7 | O6 | 111.9° | 109.5° |
| C4 | C7 | H7 | 106.2° | 109.5° |
| H41 | C4 | H42 | 99.0° | 109.4° |
| O6 | C7 | H7 | 112.5° | 109.5° |
| C7 | O6 | S1 | 124.1° | 106.8° |
| O6 | S1 | O3 | 108.9° | 107.4° |
| O6 | S1 | O2 | 112.8° | 105.9° |
| O6 | S1 | O4 | 104.3° | 105.8° |
| O3 | S1 | O2 | 113.1° | 105.8° |
| O3 | S1 | O4 | 108.7° | 105.7° |
| S1 | O3 | HO3 | 108.9° | 106.8° |
| O2 | S1 | O4 | 108.6° | 125.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C63 | C65 | H651 | H652 | 125.3° | 119.9° |
| C63 | C65 | H651 | H653 | 125.2° | 120.1° |
| C63 | C65 | H652 | H653 | 119.1° | 120.0° |
| C65 | C63 | C69 | C60 | 120.6° | 120.0° |
| C65 | C63 | C69 | H63 | 121.7° | 120.0° |
| C65 | C63 | C60 | H63 | 121.7° | 120.0° |
| C65 | C63 | C69 | H691 | 180.0° | 60.0° |
| C65 | C63 | C69 | H692 | 54.7° | 180.0° |
| C65 | C63 | C69 | H693 | 54.7° | 60.0° |
| C65 | C63 | C60 | C57 | 158.1° | 180.0° |
| C65 | C63 | C60 | H601 | 76.7° | 60.0° |
| C65 | C63 | C60 | H602 | 32.8° | 60.0° |
| H651 | C65 | H652 | H653 | 119.0° | 120.0° |
| H651 | C65 | C63 | C69 | 179.9° | 60.0° |
| H651 | C65 | C63 | C60 | 57.0° | 180.0° |
| H651 | C65 | C63 | H63 | 60.7° | 60.0° |
| H652 | C65 | C63 | C69 | 54.7° | 180.0° |
| H652 | C65 | C63 | C60 | 68.3° | 60.0° |
| H652 | C65 | C63 | H63 | 173.9° | 60.0° |
| H653 | C65 | C63 | C69 | 54.8° | 60.0° |
| H653 | C65 | C63 | C60 | 177.8° | 60.0° |
| H653 | C65 | C63 | H63 | 64.5° | 180.0° |
| C69 | C63 | C60 | H63 | 119.1° | 120.0° |
| C63 | C69 | H691 | H692 | 125.2° | 120.0° |
| C63 | C69 | H691 | H693 | 125.3° | 120.1° |
| C63 | C69 | H692 | H693 | 119.1° | 120.0° |
| C69 | C63 | C60 | C57 | 82.8° | 60.0° |
| C69 | C63 | C60 | H601 | 42.5° | 60.0° |
| C69 | C63 | C60 | H602 | 152.0° | 180.0° |
| C60 | C63 | C69 | H691 | 59.4° | 60.0° |
| C60 | C63 | C69 | H692 | 175.4° | 60.0° |
| C60 | C63 | C69 | H693 | 65.9° | 180.0° |
| C63 | C60 | C57 | H601 | 125.2° | 120.0° |
| C63 | C60 | C57 | H602 | 125.2° | 120.1° |
| C63 | C60 | H601 | H602 | 114.5° | 120.0° |
| C63 | C60 | C57 | C54 | 151.2° | 180.0° |
| C63 | C60 | C57 | H571 | 83.5° | 60.0° |
| C63 | C60 | C57 | H572 | 26.0° | 60.0° |
| H63 | C63 | C69 | H691 | 58.2° | 180.0° |
| H63 | C63 | C69 | H692 | 67.0° | 60.1° |
| H63 | C63 | C69 | H693 | 176.5° | 59.9° |
| H63 | C63 | C60 | C57 | 36.4° | 60.0° |
| H63 | C63 | C60 | H601 | 161.6° | NaN° |
| H63 | C63 | C60 | H602 | 88.9° | 60.0° |
| H691 | C69 | H692 | H693 | 119.1° | 120.0° |
| C57 | C60 | H601 | H602 | 114.6° | 119.9° |
| C60 | C57 | C54 | H571 | 125.3° | 120.0° |
| C60 | C57 | C54 | H572 | 125.3° | 120.0° |
| C60 | C57 | H571 | H572 | 117.4° | 120.0° |
| C60 | C57 | C54 | C48 | 172.5° | 180.0° |
| C60 | C57 | C54 | H541 | 62.3° | 60.0° |
| C60 | C57 | C54 | H542 | 47.2° | 60.0° |
| H601 | C60 | C57 | C54 | 26.0° | 60.0° |
| H601 | C60 | C57 | H571 | 151.3° | 180.0° |
| H601 | C60 | C57 | H572 | 99.3° | 60.0° |
| H602 | C60 | C57 | C54 | 83.5° | 59.9° |
| H602 | C60 | C57 | H571 | 41.7° | 60.0° |
| H602 | C60 | C57 | H572 | 151.2° | 179.9° |
| C54 | C57 | H571 | H572 | 117.4° | 120.0° |
| C57 | C54 | C48 | H541 | 125.2° | 120.0° |
| C57 | C54 | C48 | H542 | 125.3° | 120.0° |
| C57 | C54 | H541 | H542 | 115.6° | 120.0° |
| C57 | C54 | C48 | C50 | 51.4° | 60.0° |
| C57 | C54 | C48 | C38 | 65.8° | 180.0° |
| C57 | C54 | C48 | H48 | 173.1° | 60.0° |
| H571 | C57 | C54 | C48 | 47.2° | 60.0° |
| H571 | C57 | C54 | H541 | 172.5° | 180.0° |
| H571 | C57 | C54 | H542 | 78.0° | 60.0° |
| H572 | C57 | C54 | C48 | 62.2° | 60.0° |
| H572 | C57 | C54 | H541 | 63.0° | 60.0° |
| H572 | C57 | C54 | H542 | 172.5° | 180.0° |
| C48 | C54 | H541 | H542 | 115.6° | 120.0° |
| C54 | C48 | C50 | C38 | 119.7° | 120.0° |
| C54 | C48 | C50 | H48 | 119.3° | 120.1° |
| C54 | C48 | C38 | H48 | 119.3° | 120.1° |
| C54 | C48 | C50 | H501 | 180.0° | 60.0° |
| C54 | C48 | C50 | H502 | 54.7° | 180.0° |
| C54 | C48 | C50 | H503 | 54.8° | 60.0° |
| C54 | C48 | C38 | C35 | 52.7° | 62.7° |
| C54 | C48 | C38 | C29 | 176.3° | 178.7° |
| C54 | C48 | C38 | H38 | 69.9° | 59.3° |
| H541 | C54 | C48 | C50 | 176.6° | 59.9° |
| H541 | C54 | C48 | C38 | 59.4° | 60.0° |
| H541 | C54 | C48 | H48 | 61.7° | 180.0° |
| H542 | C54 | C48 | C50 | 73.9° | 179.9° |
| H542 | C54 | C48 | C38 | 168.9° | 60.0° |
| H542 | C54 | C48 | H48 | 47.8° | 60.0° |
| C50 | C48 | C38 | H48 | 121.6° | 120.0° |
| C48 | C50 | H501 | H502 | 125.3° | 120.0° |
| C48 | C50 | H501 | H503 | 125.2° | 120.0° |
| C48 | C50 | H502 | H503 | 118.1° | 120.0° |
| C50 | C48 | C38 | C35 | 171.7° | 177.3° |
| C50 | C48 | C38 | C29 | 64.7° | 61.3° |
| C50 | C48 | C38 | H38 | 49.2° | 60.6° |
| C38 | C48 | C50 | H501 | 60.3° | 60.0° |
| C38 | C48 | C50 | H502 | 174.4° | 60.0° |
| C38 | C48 | C50 | H503 | 64.9° | 180.0° |
| C48 | C38 | C35 | C29 | 132.1° | 119.0° |
| C48 | C38 | C35 | H38 | 111.8° | 122.0° |
| C48 | C38 | C29 | H38 | 110.3° | 122.0° |
| C48 | C38 | C35 | C32 | 152.7° | 122.5° |
| C48 | C38 | C35 | H351 | 82.1° | 118.4° |
| C48 | C38 | C35 | H352 | 27.4° | 3.2° |
| C48 | C38 | C29 | C26 | 81.4° | 93.2° |
| C48 | C38 | C29 | C40 | 45.3° | 33.8° |
| C48 | C38 | C29 | C30 | 164.7° | 148.1° |
| H48 | C48 | C50 | H501 | 60.7° | 179.9° |
| H48 | C48 | C50 | H502 | 64.6° | 59.9° |
| H48 | C48 | C50 | H503 | 174.1° | 60.0° |
| H48 | C48 | C38 | C35 | 66.6° | 57.4° |
| H48 | C48 | C38 | C29 | 56.9° | 58.7° |
| H48 | C48 | C38 | H38 | 170.8° | 179.4° |
| H501 | C50 | H502 | H503 | 118.0° | 120.0° |
| C35 | C38 | C29 | H38 | 123.3° | 119.0° |
| C38 | C35 | C32 | H351 | 125.2° | 119.1° |
| C38 | C35 | C32 | H352 | 125.3° | 119.3° |
| C38 | C35 | H351 | H352 | 119.3° | 121.6° |
| C35 | C38 | C29 | C26 | 152.2° | 147.8° |
| C35 | C38 | C29 | C40 | 81.1° | 85.2° |
| C35 | C38 | C29 | C30 | 38.4° | 29.1° |
| C38 | C35 | C32 | C30 | 6.0° | 23.9° |
| C38 | C35 | C32 | H321 | 131.3° | 142.4° |
| C38 | C35 | C32 | H322 | 119.3° | 94.5° |
| C29 | C38 | C35 | C32 | 20.6° | 3.5° |
| C29 | C38 | C35 | H351 | 145.8° | 122.6° |
| C29 | C38 | C35 | H352 | 104.7° | 115.8° |
| C38 | C29 | C26 | C40 | 127.6° | 127.0° |
| C38 | C29 | C26 | C30 | 110.6° | 116.2° |
| C38 | C29 | C40 | C30 | 110.6° | 111.6° |
| C38 | C29 | C26 | C23 | 172.5° | 178.3° |
| C38 | C29 | C26 | H261 | 62.2° | 59.6° |
| C38 | C29 | C26 | H262 | 47.3° | 60.8° |
| C38 | C29 | C40 | H401 | 180.0° | 174.7° |
| C38 | C29 | C40 | H402 | 54.8° | 54.7° |
| C38 | C29 | C40 | H403 | 54.7° | 65.4° |
| C38 | C29 | C30 | C32 | 43.3° | 44.2° |
| C38 | C29 | C30 | C18 | 168.5° | 166.5° |
| C38 | C29 | C30 | H30 | 75.6° | 72.9° |
| H38 | C38 | C35 | C32 | 95.5° | 115.5° |
| H38 | C38 | C35 | H351 | 29.8° | 3.6° |
| H38 | C38 | C35 | H352 | 139.3° | 125.2° |
| H38 | C38 | C29 | C26 | 28.9° | 28.8° |
| H38 | C38 | C29 | C40 | 155.6° | 155.8° |
| H38 | C38 | C29 | C30 | 84.9° | 89.9° |
| C32 | C35 | H351 | H352 | 119.3° | 121.6° |
| C35 | C32 | C30 | C29 | 31.3° | 41.5° |
| C35 | C32 | C30 | H321 | 125.2° | 118.5° |
| C35 | C32 | C30 | H322 | 125.3° | 118.3° |
| C35 | C32 | C30 | C18 | 154.3° | 158.2° |
| C35 | C32 | C30 | H30 | 90.0° | 75.7° |
| C35 | C32 | H321 | H322 | 120.3° | 123.1° |
| H351 | C35 | C32 | C30 | 119.2° | 95.3° |
| H351 | C35 | C32 | H321 | 6.0° | 23.2° |
| H351 | C35 | C32 | H322 | 115.5° | 146.4° |
| H352 | C35 | C32 | C30 | 131.3° | 143.1° |
| H352 | C35 | C32 | H321 | 103.4° | 98.4° |
| H352 | C35 | C32 | H322 | 6.0° | 24.8° |
| C26 | C29 | C40 | C30 | 116.7° | 117.1° |
| C29 | C26 | C23 | H261 | 125.3° | 117.1° |
| C29 | C26 | C23 | H262 | 125.2° | 121.7° |
| C29 | C26 | H261 | H262 | 118.0° | 121.1° |
| C26 | C29 | C40 | H401 | 47.3° | 54.1° |
| C26 | C29 | C40 | H402 | 172.5° | 174.1° |
| C26 | C29 | C40 | H403 | 78.0° | 65.9° |
| C26 | C29 | C30 | C32 | 167.8° | 169.6° |
| C26 | C29 | C30 | C18 | 67.0° | 68.1° |
| C26 | C29 | C30 | H30 | 48.9° | 52.5° |
| C29 | C26 | C23 | C20 | 56.2° | 55.1° |
| C29 | C26 | C23 | H231 | 69.1° | 175.7° |
| C29 | C26 | C23 | H232 | 178.6° | 65.4° |
| C40 | C29 | C26 | C23 | 59.9° | 54.6° |
| C40 | C29 | C26 | H261 | 65.4° | 173.4° |
| C40 | C29 | C26 | H262 | 174.9° | 66.2° |
| C29 | C40 | H401 | H402 | 125.2° | 120.0° |
| C29 | C40 | H401 | H403 | 125.2° | 120.0° |
| C29 | C40 | H402 | H403 | 117.8° | 120.0° |
| C40 | C29 | C30 | C32 | 73.8° | 72.0° |
| C40 | C29 | C30 | C18 | 51.4° | 50.3° |
| C40 | C29 | C30 | H30 | 167.3° | 170.9° |
| C30 | C29 | C26 | C23 | 61.9° | 62.2° |
| C30 | C29 | C26 | H261 | 172.8° | 56.6° |
| C30 | C29 | C26 | H262 | 63.3° | 177.0° |
| C30 | C29 | C40 | H401 | 69.4° | 63.1° |
| C30 | C29 | C40 | H402 | 55.8° | 57.0° |
| C30 | C29 | C40 | H403 | 165.3° | 177.0° |
| C29 | C30 | C32 | C18 | 123.0° | 116.7° |
| C29 | C30 | C32 | H30 | 121.3° | 117.2° |
| C29 | C30 | C18 | H30 | 121.0° | 120.7° |
| C29 | C30 | C32 | H321 | 156.6° | 160.0° |
| C29 | C30 | C32 | H322 | 94.0° | 76.8° |
| C29 | C30 | C18 | C15 | 174.5° | 178.1° |
| C29 | C30 | C18 | C20 | 63.4° | 63.6° |
| C29 | C30 | C18 | H18 | 55.7° | 56.6° |
| C23 | C26 | H261 | H262 | 117.9° | 121.1° |
| C26 | C23 | C20 | C18 | 51.2° | 53.3° |
| C26 | C23 | C20 | H231 | 125.3° | 120.5° |
| C26 | C23 | C20 | H232 | 125.3° | 120.6° |
| C26 | C23 | C20 | C22 | 178.9° | 176.9° |
| C26 | C23 | C20 | H20 | 65.4° | 65.0° |
| C26 | C23 | H231 | H232 | 117.0° | 118.9° |
| H261 | C26 | C23 | C20 | 178.5° | 62.0° |
| H261 | C26 | C23 | H231 | 56.2° | 58.5° |
| H261 | C26 | C23 | H232 | 53.3° | 177.4° |
| H262 | C26 | C23 | C20 | 69.1° | 176.8° |
| H262 | C26 | C23 | H231 | 165.7° | 62.6° |
| H262 | C26 | C23 | H232 | 56.2° | 56.2° |
| H401 | C40 | H402 | H403 | 117.9° | 120.0° |
| C32 | C30 | C18 | H30 | 118.5° | 126.1° |
| C30 | C32 | H321 | H322 | 120.2° | 123.3° |
| C32 | C30 | C18 | C15 | 53.9° | 64.9° |
| C32 | C30 | C18 | C20 | 176.1° | 176.8° |
| C32 | C30 | C18 | H18 | 64.8° | 56.6° |
| C18 | C30 | C32 | H321 | 80.4° | 83.4° |
| C18 | C30 | C32 | H322 | 29.0° | 39.9° |
| C30 | C18 | C15 | C20 | 120.5° | 117.5° |
| C30 | C18 | C15 | H18 | 120.5° | 121.6° |
| C30 | C18 | C20 | H18 | 120.5° | 120.3° |
| C30 | C18 | C15 | C13 | 162.5° | 173.1° |
| C30 | C18 | C15 | H151 | 37.3° | 53.2° |
| C30 | C18 | C15 | H152 | 72.2° | 67.0° |
| C30 | C18 | C20 | C23 | 53.2° | 57.0° |
| C30 | C18 | C20 | C22 | 176.6° | 179.9° |
| C30 | C18 | C20 | H20 | 62.9° | 62.1° |
| H30 | C30 | C32 | H321 | 35.3° | 42.8° |
| H30 | C30 | C32 | H322 | 144.7° | 166.1° |
| H30 | C30 | C18 | C15 | 64.5° | 61.2° |
| H30 | C30 | C18 | C20 | 57.6° | 57.1° |
| H30 | C30 | C18 | H18 | 176.8° | 177.3° |
| C15 | C18 | C20 | H18 | 118.7° | 121.0° |
| C18 | C15 | C13 | H151 | 125.2° | 119.9° |
| C18 | C15 | C13 | H152 | 125.3° | 119.9° |
| C18 | C15 | H151 | H152 | 116.9° | 120.1° |
| C15 | C18 | C20 | C23 | 174.0° | 175.7° |
| C15 | C18 | C20 | C22 | 55.7° | 61.2° |
| C15 | C18 | C20 | H20 | 58.0° | 56.6° |
| C18 | C15 | C13 | C12 | 16.2° | 26.5° |
| C18 | C15 | C13 | H13 | 163.9° | 153.4° |
| C20 | C18 | C15 | C13 | 42.1° | 55.6° |
| C20 | C18 | C15 | H151 | 83.2° | 64.3° |
| C20 | C18 | C15 | H152 | 167.4° | 175.5° |
| C18 | C20 | C23 | C22 | 129.9° | 123.6° |
| C18 | C20 | C23 | H20 | 116.5° | 118.3° |
| C18 | C20 | C22 | H20 | 116.0° | 117.2° |
| C18 | C20 | C23 | H231 | 74.1° | 173.8° |
| C18 | C20 | C23 | H232 | 176.5° | 67.3° |
| C18 | C20 | C22 | C44 | 83.1° | 84.2° |
| C18 | C20 | C22 | C12 | 40.1° | 35.0° |
| C18 | C20 | C22 | C1 | 158.0° | 158.6° |
| H18 | C18 | C15 | C13 | 77.0° | 65.4° |
| H18 | C18 | C15 | H151 | 157.8° | 174.7° |
| H18 | C18 | C15 | H152 | 48.3° | 54.5° |
| H18 | C18 | C20 | C23 | 67.3° | 63.3° |
| H18 | C18 | C20 | C22 | 63.0° | 59.8° |
| H18 | C18 | C20 | H20 | 176.7° | 177.6° |
| C13 | C15 | H151 | H152 | 116.8° | 120.2° |
| C15 | C13 | C12 | C22 | 1.7° | 0.4° |
| C15 | C13 | C12 | C9 | 179.9° | 179.7° |
| C15 | C13 | C12 | H13 | 179.9° | 179.9° |
| H151 | C15 | C13 | C12 | 109.0° | 93.4° |
| H151 | C15 | C13 | H13 | 70.9° | 86.7° |
| H152 | C15 | C13 | C12 | 141.5° | 146.4° |
| H152 | C15 | C13 | H13 | 38.6° | 33.5° |
| C23 | C20 | C22 | H20 | 115.4° | 118.1° |
| C20 | C23 | H231 | H232 | 117.0° | 118.9° |
| C23 | C20 | C22 | C44 | 45.5° | 40.5° |
| C23 | C20 | C22 | C12 | 168.6° | 159.7° |
| C23 | C20 | C22 | C1 | 73.4° | 76.7° |
| C22 | C20 | C23 | H231 | 55.8° | 62.6° |
| C22 | C20 | C23 | H232 | 53.7° | 56.3° |
| C20 | C22 | C44 | C12 | 123.0° | 122.9° |
| C20 | C22 | C44 | C1 | 120.4° | 118.8° |
| C20 | C22 | C12 | C1 | 120.2° | 124.2° |
| C20 | C22 | C44 | H441 | 180.0° | 173.7° |
| C20 | C22 | C44 | H442 | 54.8° | 53.7° |
| C20 | C22 | C44 | H443 | 54.8° | 66.4° |
| C20 | C22 | C12 | C9 | 168.4° | 175.4° |
| C20 | C22 | C12 | C13 | 13.4° | 4.7° |
| C20 | C22 | C1 | C4 | 175.3° | 179.6° |
| C20 | C22 | C1 | H11 | 59.5° | 59.5° |
| C20 | C22 | C1 | H12 | 50.0° | 60.5° |
| H20 | C20 | C23 | H231 | 169.4° | 55.5° |
| H20 | C20 | C23 | H232 | 59.9° | 174.4° |
| H20 | C20 | C22 | C44 | 160.9° | 158.6° |
| H20 | C20 | C22 | C12 | 76.0° | 82.1° |
| H20 | C20 | C22 | C1 | 42.0° | 41.4° |
| C44 | C22 | C12 | C1 | 117.3° | 117.5° |
| C22 | C44 | H441 | H442 | 125.2° | 120.0° |
| C22 | C44 | H441 | H443 | 125.2° | 119.9° |
| C22 | C44 | H442 | H443 | 118.0° | 120.0° |
| C44 | C22 | C12 | C9 | 69.1° | 66.2° |
| C44 | C22 | C12 | C13 | 109.1° | 113.7° |
| C44 | C22 | C1 | C4 | 64.6° | 63.2° |
| C44 | C22 | C1 | H11 | 60.6° | 56.8° |
| C44 | C22 | C1 | H12 | 170.1° | 176.8° |
| C12 | C22 | C44 | H441 | 57.0° | 50.7° |
| C12 | C22 | C44 | H442 | 68.2° | 69.3° |
| C12 | C22 | C44 | H443 | 177.8° | 170.7° |
| C22 | C12 | C9 | C13 | 178.3° | 179.9° |
| C22 | C12 | C9 | C7 | 47.0° | 51.6° |
| C22 | C12 | C9 | H91 | 172.2° | 171.3° |
| C22 | C12 | C9 | H92 | 78.2° | 68.2° |
| C22 | C12 | C13 | H13 | 178.4° | 179.5° |
| C12 | C22 | C1 | C4 | 54.8° | 54.3° |
| C12 | C22 | C1 | H11 | 179.9° | 174.3° |
| C12 | C22 | C1 | H12 | 70.5° | 65.7° |
| C1 | C22 | C44 | H441 | 59.6° | 67.6° |
| C1 | C22 | C44 | H442 | 175.2° | 172.4° |
| C1 | C22 | C44 | H443 | 65.6° | 52.4° |
| C1 | C22 | C12 | C9 | 48.2° | 51.2° |
| C1 | C22 | C12 | C13 | 133.6° | 128.9° |
| C22 | C1 | C4 | H11 | 125.3° | 120.0° |
| C22 | C1 | C4 | H12 | 125.3° | 119.9° |
| C22 | C1 | H11 | H12 | 117.0° | 120.0° |
| C22 | C1 | C4 | C7 | 62.2° | 62.8° |
| C22 | C1 | C4 | H41 | 63.1° | 177.2° |
| C22 | C1 | C4 | H42 | 172.6° | 57.4° |
| H441 | C44 | H442 | H443 | 118.0° | 120.1° |
| C12 | C9 | C7 | H91 | 125.2° | 119.7° |
| C12 | C9 | C7 | H92 | 125.3° | 119.7° |
| C12 | C9 | H91 | H92 | 116.1° | 120.4° |
| C9 | C12 | C13 | H13 | 0.2° | 0.4° |
| C12 | C9 | C7 | C4 | 47.2° | 55.2° |
| C12 | C9 | C7 | O6 | 165.6° | 175.2° |
| C12 | C9 | C7 | H7 | 72.1° | 64.8° |
| C13 | C12 | C9 | C7 | 134.6° | 128.5° |
| C13 | C12 | C9 | H91 | 9.4° | 8.8° |
| C13 | C12 | C9 | H92 | 100.1° | 111.7° |
| C7 | C9 | H91 | H92 | 116.0° | 120.6° |
| C9 | C7 | C4 | C1 | 55.0° | 63.7° |
| C9 | C7 | C4 | O6 | 112.0° | 120.0° |
| C9 | C7 | C4 | H7 | 124.9° | 120.0° |
| C9 | C7 | C4 | H41 | 70.3° | 176.3° |
| C9 | C7 | C4 | H42 | 179.8° | 56.4° |
| C9 | C7 | O6 | H7 | 124.3° | 120.1° |
| C9 | C7 | O6 | S1 | 149.1° | 135.5° |
| H91 | C9 | C7 | C4 | 172.4° | 174.9° |
| H91 | C9 | C7 | O6 | 69.2° | 65.1° |
| H91 | C9 | C7 | H7 | 53.1° | 54.9° |
| H92 | C9 | C7 | C4 | 78.1° | 64.6° |
| H92 | C9 | C7 | O6 | 40.3° | 55.4° |
| H92 | C9 | C7 | H7 | 162.6° | 175.5° |
| C4 | C1 | H11 | H12 | 117.0° | 120.1° |
| C1 | C4 | C7 | H41 | 125.3° | 120.1° |
| C1 | C4 | C7 | H42 | 125.2° | 120.1° |
| C1 | C4 | H41 | H42 | 117.3° | 119.8° |
| C1 | C4 | C7 | O6 | 167.0° | 176.3° |
| C1 | C4 | C7 | H7 | 69.9° | 56.4° |
| H11 | C1 | C4 | C7 | 172.5° | 177.2° |
| H11 | C1 | C4 | H41 | 62.2° | 57.1° |
| H11 | C1 | C4 | H42 | 47.3° | 62.7° |
| H12 | C1 | C4 | C7 | 63.1° | 57.1° |
| H12 | C1 | C4 | H41 | 171.6° | 62.9° |
| H12 | C1 | C4 | H42 | 62.2° | 177.3° |
| C7 | C4 | H41 | H42 | 117.3° | 119.9° |
| C4 | C7 | O6 | H7 | 119.5° | 120.0° |
| C4 | C7 | O6 | S1 | 94.7° | 104.6° |
| H41 | C4 | C7 | O6 | 41.7° | 56.2° |
| H41 | C4 | C7 | H7 | 164.8° | 63.7° |
| H42 | C4 | C7 | O6 | 67.8° | 63.6° |
| H42 | C4 | C7 | H7 | 55.3° | 176.5° |
| C7 | O6 | S1 | O3 | 176.3° | 71.4° |
| C7 | O6 | S1 | O2 | 49.9° | 176.0° |
| C7 | O6 | S1 | O4 | 67.7° | 41.2° |
| H7 | C7 | O6 | S1 | 24.8° | 15.4° |
| O6 | S1 | O3 | O2 | 126.2° | 112.7° |
| O6 | S1 | O3 | O4 | 113.0° | 112.6° |
| O6 | S1 | O2 | O4 | 115.1° | 123.2° |
| O6 | S1 | O3 | HO3 | 180.0° | 180.0° |
| O3 | S1 | O2 | O4 | 120.8° | 123.1° |
| O2 | S1 | O3 | HO3 | 53.8° | 67.3° |
| O4 | S1 | O3 | HO3 | 67.0° | 67.4° |
