SVR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O35 | S31 | doub | 1.42Å | 1.49Å | |
| S31 | O36 | doub | 1.42Å | 1.49Å | |
| S31 | O34 | sing | 1.52Å | 1.49Å | |
| S31 | C22 | sing | 1.76Å | 1.58Å | |
| O34 | H34 | sing | 0.97Å | 0.95Å | |
| C22 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C16 | sing | 1.36Å | 1.38Å | Aromatic |
| C18 | C11 | sing | 1.36Å | 1.38Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | S17 | sing | 1.76Å | 1.61Å | |
| C11 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| S17 | O23 | doub | 1.42Å | 1.48Å | |
| S17 | O24 | doub | 1.42Å | 1.49Å | |
| S17 | O25 | sing | 1.52Å | 1.48Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| C16 | C10 | doub | 1.41Å | 1.38Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | C6 | sing | 1.42Å | 1.42Å | Aromatic |
| C15 | S21 | sing | 1.76Å | 1.63Å | |
| C15 | C12 | doub | 1.36Å | 1.39Å | Aromatic |
| S21 | O28 | doub | 1.42Å | 1.48Å | |
| S21 | O29 | doub | 1.42Å | 1.48Å | |
| S21 | O30 | sing | 1.52Å | 1.47Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å | |
| C12 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C7 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| C3 | N1 | sing | 1.40Å | 1.41Å | |
| N1 | C2 | sing | 1.35Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | O4 | doub | 1.22Å | 1.21Å | |
| C2 | C5 | sing | 1.48Å | 1.49Å | |
| C5 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | C27 | sing | 1.51Å | 1.50Å | |
| C20 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C13 | N19 | sing | 1.40Å | 1.40Å | |
| N19 | C26 | sing | 1.35Å | 1.33Å | |
| N19 | H19 | sing | 0.97Å | 1.00Å | |
| C26 | O32 | doub | 1.22Å | 1.22Å | |
| C26 | C33 | sing | 1.48Å | 1.50Å | |
| C33 | C37 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C38 | sing | 1.40Å | 1.39Å | Aromatic |
| C37 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C42 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C39 | N41 | sing | 1.40Å | 1.40Å | |
| N41 | C43 | sing | 1.35Å | 1.33Å | |
| N41 | H41 | sing | 0.97Å | 1.00Å | |
| C43 | O45 | doub | 1.22Å | 1.22Å | |
| C43 | N44 | sing | 1.35Å | 1.33Å | |
| N44 | C46 | sing | 1.40Å | 1.40Å | |
| N44 | H44 | sing | 0.97Å | 1.00Å | |
| C46 | C47 | doub | 1.39Å | 1.39Å | Aromatic |
| C46 | C48 | sing | 1.39Å | 1.39Å | Aromatic |
| C47 | C49 | sing | 1.39Å | 1.39Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C48 | C50 | doub | 1.38Å | 1.39Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C50 | C52 | sing | 1.38Å | 1.38Å | Aromatic |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| C52 | C49 | doub | 1.40Å | 1.39Å | Aromatic |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| C49 | C51 | sing | 1.48Å | 1.49Å | |
| C51 | O54 | doub | 1.22Å | 1.22Å | |
| C51 | N53 | sing | 1.35Å | 1.32Å | |
| N53 | C55 | sing | 1.40Å | 1.39Å | |
| N53 | H53 | sing | 0.97Å | 1.00Å | |
| C55 | C56 | doub | 1.39Å | 1.39Å | Aromatic |
| C55 | C57 | sing | 1.39Å | 1.37Å | Aromatic |
| C56 | C58 | sing | 1.40Å | 1.39Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C57 | C59 | sing | 1.51Å | 1.50Å | |
| C57 | C60 | doub | 1.38Å | 1.38Å | Aromatic |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| C59 | H593 | sing | 1.09Å | 1.10Å | |
| C60 | C62 | sing | 1.38Å | 1.38Å | Aromatic |
| C60 | H60 | sing | 1.08Å | 1.08Å | |
| C62 | C58 | doub | 1.40Å | 1.39Å | Aromatic |
| C62 | H62 | sing | 1.08Å | 1.08Å | |
| C58 | C61 | sing | 1.48Å | 1.49Å | |
| C61 | O64 | doub | 1.22Å | 1.22Å | |
| C61 | N63 | sing | 1.35Å | 1.33Å | |
| N63 | C65 | sing | 1.39Å | 1.39Å | |
| N63 | H63 | sing | 0.97Å | 1.00Å | |
| C65 | C67 | doub | 1.38Å | 1.38Å | Aromatic |
| C65 | C66 | sing | 1.41Å | 1.41Å | Aromatic |
| C67 | C70 | sing | 1.39Å | 1.37Å | Aromatic |
| C67 | H67 | sing | 1.08Å | 1.08Å | |
| C70 | C71 | doub | 1.36Å | 1.37Å | Aromatic |
| C70 | H70 | sing | 1.08Å | 1.08Å | |
| C71 | S75 | sing | 1.76Å | 1.59Å | |
| C71 | C68 | sing | 1.41Å | 1.39Å | Aromatic |
| S75 | O80 | doub | 1.42Å | 1.48Å | |
| S75 | O81 | doub | 1.42Å | 1.48Å | |
| S75 | O82 | sing | 1.52Å | 1.48Å | |
| O82 | H82 | sing | 0.97Å | 0.95Å | |
| C66 | C68 | doub | 1.42Å | 1.40Å | Aromatic |
| C66 | C69 | sing | 1.40Å | 1.41Å | Aromatic |
| C68 | C72 | sing | 1.41Å | 1.38Å | Aromatic |
| C72 | C76 | doub | 1.36Å | 1.38Å | Aromatic |
| C72 | H72 | sing | 1.08Å | 1.08Å | |
| C69 | S73 | sing | 1.76Å | 1.61Å | |
| C69 | C74 | doub | 1.36Å | 1.40Å | Aromatic |
| S73 | O77 | doub | 1.42Å | 1.48Å | |
| S73 | O78 | doub | 1.42Å | 1.49Å | |
| S73 | O79 | sing | 1.52Å | 1.48Å | |
| O79 | H79 | sing | 0.97Å | 0.95Å | |
| C74 | C76 | sing | 1.39Å | 1.39Å | Aromatic |
| C74 | H74 | sing | 1.08Å | 1.08Å | |
| C76 | S83 | sing | 1.76Å | 1.59Å | |
| S83 | O85 | sing | 1.52Å | 1.48Å | |
| S83 | O86 | doub | 1.42Å | 1.49Å | |
| S83 | O84 | doub | 1.42Å | 1.48Å | |
| O85 | H85 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35 | S31 | O36 | 109.1° | 123.2° |
| O35 | S31 | O34 | 111.7° | 106.4° |
| O35 | S31 | C22 | 106.4° | 106.4° |
| O36 | S31 | O34 | 111.4° | 106.4° |
| O36 | S31 | C22 | 109.3° | 106.4° |
| O34 | S31 | C22 | 108.8° | 107.2° |
| S31 | O34 | H34 | 109.5° | 114.1° |
| S31 | C22 | C18 | 120.1° | 119.5° |
| S31 | C22 | C16 | 117.8° | 119.5° |
| C18 | C22 | C16 | 122.1° | 121.0° |
| C22 | C18 | C11 | 120.0° | 121.0° |
| C22 | C18 | H18 | 120.0° | 119.5° |
| C22 | C16 | C10 | 120.0° | 119.7° |
| C22 | C16 | H16 | 120.0° | 120.2° |
| C11 | C18 | H18 | 120.0° | 119.5° |
| C18 | C11 | S17 | 113.3° | 120.1° |
| C18 | C11 | C6 | 118.7° | 119.7° |
| S17 | C11 | C6 | 128.0° | 120.2° |
| C11 | S17 | O23 | 111.0° | 106.4° |
| C11 | S17 | O24 | 112.3° | 106.4° |
| C11 | S17 | O25 | 107.0° | 107.3° |
| C11 | C6 | C10 | 120.1° | 119.4° |
| C11 | C6 | C3 | 122.6° | 121.2° |
| O23 | S17 | O24 | 108.6° | 123.1° |
| O23 | S17 | O25 | 108.5° | 106.4° |
| O24 | S17 | O25 | 109.4° | 106.4° |
| S17 | O25 | H25 | 109.5° | 114.0° |
| C10 | C16 | H16 | 120.0° | 120.2° |
| C16 | C10 | C15 | 117.5° | 121.2° |
| C16 | C10 | C6 | 119.1° | 119.3° |
| C15 | C10 | C6 | 123.4° | 119.5° |
| C10 | C15 | S21 | 124.2° | 120.0° |
| C10 | C15 | C12 | 117.0° | 119.9° |
| C10 | C6 | C3 | 117.3° | 119.3° |
| S21 | C15 | C12 | 118.8° | 120.0° |
| C15 | S21 | O28 | 108.7° | 106.4° |
| C15 | S21 | O29 | 112.9° | 106.4° |
| C15 | S21 | O30 | 107.3° | 107.2° |
| C15 | C12 | C7 | 120.5° | 121.1° |
| C15 | C12 | H12 | 119.8° | 119.5° |
| O28 | S21 | O29 | 108.8° | 123.2° |
| O28 | S21 | O30 | 109.7° | 106.4° |
| O29 | S21 | O30 | 109.5° | 106.4° |
| S21 | O30 | H30 | 109.5° | 114.0° |
| C7 | C12 | H12 | 119.8° | 119.5° |
| C12 | C7 | C3 | 122.6° | 120.8° |
| C12 | C7 | H7 | 118.7° | 119.6° |
| C3 | C7 | H7 | 118.7° | 119.6° |
| C7 | C3 | C6 | 119.2° | 119.4° |
| C7 | C3 | N1 | 117.7° | 120.3° |
| C6 | C3 | N1 | 122.9° | 120.3° |
| C3 | N1 | C2 | 127.8° | 120.0° |
| C3 | N1 | HN1 | 116.1° | 120.0° |
| C2 | N1 | HN1 | 116.1° | 120.0° |
| N1 | C2 | O4 | 124.3° | 120.0° |
| N1 | C2 | C5 | 117.3° | 120.0° |
| O4 | C2 | C5 | 118.4° | 120.0° |
| C2 | C5 | C8 | 118.3° | 120.1° |
| C2 | C5 | C9 | 120.3° | 120.1° |
| C8 | C5 | C9 | 121.3° | 119.8° |
| C5 | C8 | C13 | 118.8° | 119.8° |
| C5 | C8 | H8 | 120.6° | 120.1° |
| C5 | C9 | C14 | 119.4° | 120.0° |
| C5 | C9 | H9 | 120.3° | 120.0° |
| C13 | C8 | H8 | 120.6° | 120.1° |
| C8 | C13 | C20 | 120.0° | 120.0° |
| C8 | C13 | N19 | 120.5° | 120.0° |
| C14 | C9 | H9 | 120.3° | 120.0° |
| C9 | C14 | C20 | 119.5° | 120.3° |
| C9 | C14 | H14 | 120.2° | 119.9° |
| C20 | C14 | H14 | 120.3° | 119.9° |
| C14 | C20 | C27 | 119.5° | 119.9° |
| C14 | C20 | C13 | 120.9° | 120.2° |
| C27 | C20 | C13 | 119.6° | 119.9° |
| C20 | C27 | H271 | 109.5° | 109.5° |
| C20 | C27 | H272 | 109.4° | 109.4° |
| C20 | C27 | H273 | 109.5° | 109.4° |
| C20 | C13 | N19 | 119.4° | 120.0° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| C13 | N19 | C26 | 120.1° | 120.0° |
| C13 | N19 | H19 | 120.0° | 120.0° |
| C26 | N19 | H19 | 120.0° | 120.0° |
| N19 | C26 | O32 | 122.4° | 120.0° |
| N19 | C26 | C33 | 118.1° | 120.0° |
| O32 | C26 | C33 | 119.5° | 120.0° |
| C26 | C33 | C37 | 120.4° | 120.1° |
| C26 | C33 | C38 | 119.6° | 120.1° |
| C37 | C33 | C38 | 120.0° | 119.8° |
| C33 | C37 | C39 | 119.8° | 119.8° |
| C33 | C37 | H37 | 120.1° | 120.1° |
| C33 | C38 | C40 | 119.9° | 120.0° |
| C33 | C38 | H38 | 120.1° | 120.0° |
| C39 | C37 | H37 | 120.1° | 120.1° |
| C37 | C39 | C42 | 120.2° | 120.0° |
| C37 | C39 | N41 | 121.4° | 120.0° |
| C40 | C38 | H38 | 120.1° | 119.9° |
| C38 | C40 | C42 | 120.2° | 120.2° |
| C38 | C40 | H40 | 119.9° | 119.9° |
| C42 | C40 | H40 | 119.9° | 119.9° |
| C40 | C42 | C39 | 119.8° | 120.2° |
| C40 | C42 | H42 | 120.1° | 119.9° |
| C39 | C42 | H42 | 120.1° | 119.9° |
| C42 | C39 | N41 | 118.4° | 120.0° |
| C39 | N41 | C43 | 122.4° | 120.0° |
| C39 | N41 | H41 | 118.8° | 119.9° |
| C43 | N41 | H41 | 118.8° | 120.1° |
| N41 | C43 | O45 | 122.1° | 120.1° |
| N41 | C43 | N44 | 116.9° | 120.0° |
| O45 | C43 | N44 | 120.9° | 120.0° |
| C43 | N44 | C46 | 119.7° | 120.0° |
| C43 | N44 | H44 | 120.1° | 120.0° |
| C46 | N44 | H44 | 120.2° | 120.0° |
| N44 | C46 | C47 | 122.0° | 120.0° |
| N44 | C46 | C48 | 117.4° | 120.0° |
| C47 | C46 | C48 | 120.6° | 120.0° |
| C46 | C47 | C49 | 118.7° | 119.8° |
| C46 | C47 | H47 | 120.6° | 120.1° |
| C46 | C48 | C50 | 120.5° | 120.2° |
| C46 | C48 | H48 | 119.8° | 119.9° |
| C49 | C47 | H47 | 120.6° | 120.1° |
| C47 | C49 | C52 | 120.6° | 119.8° |
| C47 | C49 | C51 | 123.0° | 120.1° |
| C50 | C48 | H48 | 119.7° | 119.9° |
| C48 | C50 | C52 | 118.9° | 120.3° |
| C48 | C50 | H50 | 120.5° | 119.9° |
| C52 | C50 | H50 | 120.5° | 119.8° |
| C50 | C52 | C49 | 120.6° | 119.9° |
| C50 | C52 | H52 | 119.7° | 120.1° |
| C49 | C52 | H52 | 119.7° | 120.0° |
| C52 | C49 | C51 | 116.4° | 120.1° |
| C49 | C51 | O54 | 123.4° | 120.0° |
| C49 | C51 | N53 | 111.0° | 120.0° |
| O54 | C51 | N53 | 125.6° | 120.0° |
| C51 | N53 | C55 | 130.1° | 120.0° |
| C51 | N53 | H53 | 115.0° | 120.0° |
| C55 | N53 | H53 | 114.9° | 120.0° |
| N53 | C55 | C56 | 126.1° | 120.0° |
| N53 | C55 | C57 | 112.3° | 120.0° |
| C56 | C55 | C57 | 121.6° | 120.0° |
| C55 | C56 | C58 | 117.5° | 119.8° |
| C55 | C56 | H56 | 121.3° | 120.1° |
| C55 | C57 | C59 | 117.7° | 119.9° |
| C55 | C57 | C60 | 120.9° | 120.2° |
| C58 | C56 | H56 | 121.3° | 120.1° |
| C56 | C58 | C62 | 120.6° | 119.8° |
| C56 | C58 | C61 | 123.5° | 120.1° |
| C59 | C57 | C60 | 121.4° | 119.9° |
| C57 | C59 | H591 | 109.5° | 109.5° |
| C57 | C59 | H592 | 109.4° | 109.5° |
| C57 | C59 | H593 | 109.4° | 109.5° |
| C57 | C60 | C62 | 118.4° | 120.3° |
| C57 | C60 | H60 | 120.8° | 119.9° |
| H591 | C59 | H592 | 109.5° | 109.4° |
| H591 | C59 | H593 | 109.5° | 109.5° |
| H592 | C59 | H593 | 109.5° | 109.4° |
| C62 | C60 | H60 | 120.8° | 119.8° |
| C60 | C62 | C58 | 121.0° | 119.9° |
| C60 | C62 | H62 | 119.5° | 120.0° |
| C58 | C62 | H62 | 119.5° | 120.0° |
| C62 | C58 | C61 | 115.7° | 120.1° |
| C58 | C61 | O64 | 122.4° | 120.0° |
| C58 | C61 | N63 | 112.7° | 120.0° |
| O64 | C61 | N63 | 124.8° | 120.0° |
| C61 | N63 | C65 | 126.7° | 120.0° |
| C61 | N63 | H63 | 116.6° | 120.0° |
| C65 | N63 | H63 | 116.6° | 120.0° |
| N63 | C65 | C67 | 109.7° | 120.4° |
| N63 | C65 | C66 | 129.1° | 120.3° |
| C67 | C65 | C66 | 121.1° | 119.3° |
| C65 | C67 | C70 | 121.8° | 120.8° |
| C65 | C67 | H67 | 119.1° | 119.6° |
| C65 | C66 | C68 | 116.2° | 119.3° |
| C65 | C66 | C69 | 125.1° | 121.2° |
| C70 | C67 | H67 | 119.1° | 119.6° |
| C67 | C70 | C71 | 118.6° | 121.1° |
| C67 | C70 | H70 | 120.7° | 119.5° |
| C71 | C70 | H70 | 120.7° | 119.4° |
| C70 | C71 | S75 | 116.4° | 120.0° |
| C70 | C71 | C68 | 120.6° | 120.0° |
| S75 | C71 | C68 | 123.0° | 120.0° |
| C71 | S75 | O80 | 111.0° | 106.4° |
| C71 | S75 | O81 | 108.5° | 106.4° |
| C71 | S75 | O82 | 108.6° | 107.2° |
| C71 | C68 | C66 | 121.7° | 119.5° |
| C71 | C68 | C72 | 117.6° | 121.2° |
| O80 | S75 | O81 | 109.6° | 123.2° |
| O80 | S75 | O82 | 109.9° | 106.4° |
| O81 | S75 | O82 | 109.3° | 106.4° |
| S75 | O82 | H82 | 109.5° | 114.0° |
| C68 | C66 | C69 | 118.7° | 119.4° |
| C66 | C68 | C72 | 120.7° | 119.3° |
| C66 | C69 | S73 | 124.8° | 120.2° |
| C66 | C69 | C74 | 119.5° | 119.6° |
| C68 | C72 | C76 | 120.7° | 119.6° |
| C68 | C72 | H72 | 119.6° | 120.2° |
| C76 | C72 | H72 | 119.7° | 120.2° |
| C72 | C76 | C74 | 119.6° | 121.0° |
| C72 | C76 | S83 | 118.0° | 119.5° |
| S73 | C69 | C74 | 115.6° | 120.1° |
| C69 | S73 | O77 | 111.4° | 106.4° |
| C69 | S73 | O78 | 110.1° | 106.4° |
| C69 | S73 | O79 | 108.4° | 107.2° |
| C69 | C74 | C76 | 120.8° | 121.0° |
| C69 | C74 | H74 | 119.6° | 119.5° |
| O77 | S73 | O78 | 109.7° | 123.1° |
| O77 | S73 | O79 | 107.5° | 106.4° |
| O78 | S73 | O79 | 109.7° | 106.4° |
| S73 | O79 | H79 | 109.5° | 114.0° |
| C76 | C74 | H74 | 119.6° | 119.5° |
| C74 | C76 | S83 | 122.4° | 119.5° |
| C76 | S83 | O85 | 108.1° | 107.2° |
| C76 | S83 | O86 | 110.2° | 106.4° |
| C76 | S83 | O84 | 109.5° | 106.4° |
| O85 | S83 | O86 | 109.1° | 106.4° |
| O85 | S83 | O84 | 109.5° | 106.4° |
| S83 | O85 | H85 | 109.5° | 114.0° |
| O86 | S83 | O84 | 110.2° | 123.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | S31 | O36 | O34 | 123.7° | 122.9° |
| O35 | S31 | O36 | C22 | 116.0° | 122.9° |
| O35 | S31 | O34 | C22 | 117.2° | 113.5° |
| O35 | S31 | O34 | H34 | 122.3° | 66.5° |
| O35 | S31 | C22 | C18 | 160.0° | 23.5° |
| O35 | S31 | C22 | C16 | 19.6° | 156.2° |
| O36 | S31 | O34 | C22 | 120.6° | 113.6° |
| O36 | S31 | O34 | H34 | 0.0° | 66.4° |
| O36 | S31 | C22 | C18 | 42.3° | 156.4° |
| O36 | S31 | C22 | C16 | 137.3° | 23.3° |
| O34 | S31 | C22 | C18 | 79.5° | 90.0° |
| O34 | S31 | C22 | C16 | 100.8° | 90.3° |
| C22 | S31 | O34 | H34 | 120.6° | 180.0° |
| S31 | C22 | C18 | C16 | 179.6° | 179.7° |
| S31 | C22 | C18 | C11 | 179.6° | 180.0° |
| S31 | C22 | C18 | H18 | 0.5° | 0.0° |
| S31 | C22 | C16 | C10 | 179.8° | 180.0° |
| S31 | C22 | C16 | H16 | 0.2° | 0.1° |
| C22 | C18 | C11 | H18 | 180.0° | 179.9° |
| C22 | C18 | C11 | S17 | 179.1° | 180.0° |
| C22 | C18 | C11 | C6 | 0.1° | 0.0° |
| C18 | C22 | C16 | C10 | 0.2° | 0.3° |
| C18 | C22 | C16 | H16 | 179.9° | 179.6° |
| C16 | C22 | C18 | C11 | 0.0° | 0.3° |
| C16 | C22 | C18 | H18 | 179.9° | 179.7° |
| C22 | C16 | C10 | H16 | 180.0° | 179.9° |
| C22 | C16 | C10 | C15 | 179.6° | 179.9° |
| C22 | C16 | C10 | C6 | 0.3° | 0.1° |
| C18 | C11 | S17 | C6 | 178.9° | 180.0° |
| C18 | C11 | S17 | O23 | 113.5° | 124.9° |
| C18 | C11 | S17 | O24 | 124.8° | 102.2° |
| C18 | C11 | S17 | O25 | 4.8° | 11.3° |
| C18 | C11 | C6 | C10 | 0.0° | 0.3° |
| C18 | C11 | C6 | C3 | 179.4° | 179.8° |
| H18 | C18 | C11 | S17 | 0.8° | 0.0° |
| H18 | C18 | C11 | C6 | 179.9° | 180.0° |
| C11 | S17 | O23 | O24 | 123.9° | 123.0° |
| C11 | S17 | O23 | O25 | 117.3° | 114.1° |
| C11 | S17 | O24 | O25 | 118.6° | 114.1° |
| C11 | S17 | O25 | H25 | 119.9° | 180.0° |
| S17 | C11 | C6 | C10 | 178.8° | 179.7° |
| S17 | C11 | C6 | C3 | 0.5° | 0.1° |
| C6 | C11 | S17 | O23 | 65.5° | 55.1° |
| C6 | C11 | S17 | O24 | 56.3° | 77.8° |
| C6 | C11 | S17 | O25 | 176.3° | 168.7° |
| C11 | C6 | C10 | C16 | 0.3° | 0.3° |
| C11 | C6 | C10 | C15 | 179.5° | 179.7° |
| C11 | C6 | C10 | C3 | 179.3° | 179.6° |
| C11 | C6 | C3 | C7 | 178.8° | 179.7° |
| C11 | C6 | C3 | N1 | 3.4° | 0.3° |
| O23 | S17 | O24 | O25 | 118.3° | 122.9° |
| O23 | S17 | O25 | H25 | 0.0° | 66.4° |
| O24 | S17 | O25 | H25 | 118.3° | 66.5° |
| C16 | C10 | C15 | C6 | 179.2° | 180.0° |
| C16 | C10 | C15 | S21 | 0.9° | 0.1° |
| C16 | C10 | C15 | C12 | 179.6° | 180.0° |
| C16 | C10 | C6 | C3 | 179.6° | 179.9° |
| H16 | C16 | C10 | C15 | 0.4° | 0.0° |
| H16 | C16 | C10 | C6 | 179.7° | 180.0° |
| C10 | C15 | S21 | C12 | 179.5° | 179.9° |
| C10 | C15 | S21 | O28 | 57.1° | 96.5° |
| C10 | C15 | S21 | O29 | 63.7° | 36.5° |
| C10 | C15 | S21 | O30 | 175.7° | 150.0° |
| C10 | C15 | C12 | C7 | 0.2° | 0.1° |
| C10 | C15 | C12 | H12 | 179.8° | 180.0° |
| C15 | C10 | C6 | C3 | 1.2° | 0.1° |
| C6 | C10 | C15 | S21 | 179.9° | 179.9° |
| C6 | C10 | C15 | C12 | 0.4° | 0.0° |
| C10 | C6 | C3 | C7 | 1.8° | 0.2° |
| C10 | C6 | C3 | N1 | 177.2° | 179.9° |
| C15 | S21 | O28 | O29 | 123.2° | 123.0° |
| C15 | S21 | O28 | O30 | 117.1° | 114.1° |
| C15 | S21 | O29 | O30 | 119.4° | 114.1° |
| C15 | S21 | O30 | H30 | 122.8° | 180.0° |
| S21 | C15 | C12 | C7 | 179.8° | 180.0° |
| S21 | C15 | C12 | H12 | 0.2° | 0.1° |
| C12 | C15 | S21 | O28 | 122.5° | 83.6° |
| C12 | C15 | S21 | O29 | 116.8° | 143.5° |
| C12 | C15 | S21 | O30 | 3.9° | 30.0° |
| C15 | C12 | C7 | H12 | 180.0° | 179.9° |
| C15 | C12 | C7 | C3 | 0.9° | 0.0° |
| C15 | C12 | C7 | H7 | 179.1° | 179.9° |
| O28 | S21 | O29 | O30 | 119.9° | 123.0° |
| O28 | S21 | O30 | H30 | 119.3° | 66.4° |
| O29 | S21 | O30 | H30 | 0.0° | 66.5° |
| C12 | C7 | C3 | H7 | 180.0° | 179.9° |
| C12 | C7 | C3 | C6 | 1.8° | 0.1° |
| C12 | C7 | C3 | N1 | 177.4° | 179.9° |
| H12 | C12 | C7 | C3 | 179.1° | 179.9° |
| H12 | C12 | C7 | H7 | 0.9° | 0.0° |
| C7 | C3 | C6 | N1 | 175.4° | 180.0° |
| C7 | C3 | N1 | C2 | 51.7° | 50.3° |
| C7 | C3 | N1 | HN1 | 128.3° | 129.6° |
| H7 | C7 | C3 | C6 | 178.2° | 180.0° |
| H7 | C7 | C3 | N1 | 2.6° | 0.0° |
| C6 | C3 | N1 | C2 | 132.8° | 129.8° |
| C6 | C3 | N1 | HN1 | 47.2° | 50.3° |
| C3 | N1 | C2 | HN1 | 180.0° | 179.9° |
| C3 | N1 | C2 | O4 | 2.5° | 3.6° |
| C3 | N1 | C2 | C5 | 177.1° | 176.3° |
| N1 | C2 | O4 | C5 | 179.6° | 179.9° |
| N1 | C2 | C5 | C8 | 45.8° | 174.0° |
| N1 | C2 | C5 | C9 | 135.9° | 6.4° |
| HN1 | N1 | C2 | O4 | 177.5° | 176.3° |
| HN1 | N1 | C2 | C5 | 2.9° | 3.8° |
| O4 | C2 | C5 | C8 | 133.8° | 5.9° |
| O4 | C2 | C5 | C9 | 44.4° | 173.7° |
| C2 | C5 | C8 | C9 | 178.2° | 179.6° |
| C2 | C5 | C8 | C13 | 179.0° | 179.9° |
| C2 | C5 | C8 | H8 | 0.9° | 0.2° |
| C2 | C5 | C9 | C14 | 178.9° | 179.9° |
| C2 | C5 | C9 | H9 | 1.1° | 0.1° |
| C5 | C8 | C13 | H8 | 180.0° | 179.9° |
| C8 | C5 | C9 | C14 | 0.7° | 0.3° |
| C8 | C5 | C9 | H9 | 179.3° | 179.7° |
| C5 | C8 | C13 | C20 | 0.5° | 0.1° |
| C5 | C8 | C13 | N19 | 179.5° | 179.9° |
| C9 | C5 | C8 | C13 | 0.8° | 0.3° |
| C9 | C5 | C8 | H8 | 179.1° | 179.8° |
| C5 | C9 | C14 | H9 | 180.0° | 180.0° |
| C5 | C9 | C14 | C20 | 0.4° | 0.1° |
| C5 | C9 | C14 | H14 | 179.6° | 180.0° |
| C8 | C13 | C20 | C14 | 0.2° | 0.2° |
| C8 | C13 | C20 | C27 | 179.9° | 180.0° |
| C8 | C13 | C20 | N19 | 179.9° | 179.9° |
| C8 | C13 | N19 | C26 | 99.2° | 32.4° |
| C8 | C13 | N19 | H19 | 80.8° | 147.7° |
| H8 | C8 | C13 | C20 | 179.4° | 180.0° |
| H8 | C8 | C13 | N19 | 0.5° | 0.0° |
| C9 | C14 | C20 | H14 | 180.0° | 180.0° |
| C9 | C14 | C20 | C27 | 179.9° | 180.0° |
| C9 | C14 | C20 | C13 | 0.1° | 0.2° |
| H9 | C9 | C14 | C20 | 179.7° | 179.9° |
| H9 | C9 | C14 | H14 | 0.4° | 0.0° |
| C14 | C20 | C27 | C13 | 179.8° | 179.8° |
| C14 | C20 | C27 | H271 | 90.1° | 90.0° |
| C14 | C20 | C27 | H272 | 149.9° | 150.0° |
| C14 | C20 | C27 | H273 | 29.9° | 30.1° |
| C14 | C20 | C13 | N19 | 179.9° | 179.9° |
| H14 | C14 | C20 | C27 | 0.1° | 0.1° |
| H14 | C14 | C20 | C13 | 179.9° | 179.8° |
| C20 | C27 | H271 | H272 | 120.0° | 120.0° |
| C20 | C27 | H271 | H273 | 120.0° | 120.0° |
| C20 | C27 | H272 | H273 | 120.0° | 119.9° |
| C27 | C20 | C13 | N19 | 0.1° | 0.0° |
| C13 | C20 | C27 | H271 | 90.1° | 90.2° |
| C13 | C20 | C27 | H272 | 29.9° | 29.8° |
| C13 | C20 | C27 | H273 | 149.9° | 149.8° |
| C20 | C13 | N19 | C26 | 80.9° | 147.6° |
| C20 | C13 | N19 | H19 | 99.1° | 32.3° |
| H271 | C27 | H272 | H273 | 120.0° | 120.1° |
| C13 | N19 | C26 | H19 | 180.0° | 179.9° |
| C13 | N19 | C26 | O32 | 0.0° | 4.8° |
| C13 | N19 | C26 | C33 | 179.3° | 175.1° |
| N19 | C26 | O32 | C33 | 179.3° | 179.9° |
| N19 | C26 | C33 | C37 | 167.2° | 180.0° |
| N19 | C26 | C33 | C38 | 12.3° | 0.3° |
| H19 | N19 | C26 | O32 | 180.0° | 175.1° |
| H19 | N19 | C26 | C33 | 0.7° | 5.0° |
| O32 | C26 | C33 | C37 | 12.2° | 0.1° |
| O32 | C26 | C33 | C38 | 168.4° | 179.8° |
| C26 | C33 | C37 | C38 | 179.4° | 179.7° |
| C26 | C33 | C37 | C39 | 179.4° | 180.0° |
| C26 | C33 | C37 | H37 | 0.6° | 0.0° |
| C26 | C33 | C38 | C40 | 179.7° | 180.0° |
| C26 | C33 | C38 | H38 | 0.3° | 0.0° |
| C33 | C37 | C39 | H37 | 180.0° | 180.0° |
| C37 | C33 | C38 | C40 | 0.3° | 0.3° |
| C37 | C33 | C38 | H38 | 179.7° | 179.7° |
| C33 | C37 | C39 | C42 | 0.4° | 0.0° |
| C33 | C37 | C39 | N41 | 179.2° | 180.0° |
| C38 | C33 | C37 | C39 | 0.0° | 0.3° |
| C38 | C33 | C37 | H37 | 179.9° | 179.7° |
| C33 | C38 | C40 | H38 | 180.0° | 180.0° |
| C33 | C38 | C40 | C42 | 0.2° | 0.0° |
| C33 | C38 | C40 | H40 | 179.9° | 180.0° |
| C37 | C39 | C42 | C40 | 0.6° | 0.2° |
| C37 | C39 | C42 | N41 | 178.8° | 180.0° |
| C37 | C39 | C42 | H42 | 179.4° | 179.9° |
| C37 | C39 | N41 | C43 | 20.9° | 32.3° |
| C37 | C39 | N41 | H41 | 159.1° | 147.7° |
| H37 | C37 | C39 | C42 | 179.5° | 180.0° |
| H37 | C37 | C39 | N41 | 0.8° | 0.0° |
| C38 | C40 | C42 | H40 | 180.0° | 180.0° |
| C38 | C40 | C42 | C39 | 0.3° | 0.3° |
| C38 | C40 | C42 | H42 | 179.7° | 179.9° |
| H38 | C38 | C40 | C42 | 179.9° | 180.0° |
| H38 | C38 | C40 | H40 | 0.1° | 0.0° |
| C40 | C42 | C39 | H42 | 180.0° | 179.7° |
| C40 | C42 | C39 | N41 | 179.4° | 179.8° |
| H40 | C40 | C42 | C39 | 179.7° | 179.7° |
| H40 | C40 | C42 | H42 | 0.3° | 0.0° |
| C42 | C39 | N41 | C43 | 157.9° | 147.7° |
| C42 | C39 | N41 | H41 | 22.1° | 32.3° |
| H42 | C42 | C39 | N41 | 0.6° | 0.1° |
| C39 | N41 | C43 | H41 | 180.0° | 179.9° |
| C39 | N41 | C43 | O45 | 0.8° | 4.0° |
| C39 | N41 | C43 | N44 | 179.6° | 176.0° |
| N41 | C43 | O45 | N44 | 179.5° | 180.0° |
| N41 | C43 | N44 | C46 | 179.1° | 176.0° |
| N41 | C43 | N44 | H44 | 0.9° | 3.9° |
| H41 | N41 | C43 | O45 | 179.2° | 176.0° |
| H41 | N41 | C43 | N44 | 0.4° | 4.1° |
| O45 | C43 | N44 | C46 | 1.3° | 4.0° |
| O45 | C43 | N44 | H44 | 178.7° | 176.0° |
| C43 | N44 | C46 | H44 | 180.0° | 180.0° |
| C43 | N44 | C46 | C47 | 72.9° | 147.8° |
| C43 | N44 | C46 | C48 | 106.1° | 32.5° |
| N44 | C46 | C47 | C48 | 179.0° | 179.7° |
| N44 | C46 | C47 | C49 | 179.0° | 179.9° |
| N44 | C46 | C47 | H47 | 1.0° | 0.1° |
| N44 | C46 | C48 | C50 | 179.4° | 179.9° |
| N44 | C46 | C48 | H48 | 0.6° | 0.0° |
| H44 | N44 | C46 | C47 | 107.1° | 32.2° |
| H44 | N44 | C46 | C48 | 73.9° | 147.5° |
| C46 | C47 | C49 | H47 | 180.0° | 180.0° |
| C47 | C46 | C48 | C50 | 0.4° | 0.2° |
| C47 | C46 | C48 | H48 | 179.6° | 179.7° |
| C46 | C47 | C49 | C52 | 0.8° | 0.0° |
| C46 | C47 | C49 | C51 | 178.8° | 180.0° |
| C48 | C46 | C47 | C49 | 0.0° | 0.2° |
| C48 | C46 | C47 | H47 | 180.0° | 179.8° |
| C46 | C48 | C50 | H48 | 180.0° | 180.0° |
| C46 | C48 | C50 | C52 | 0.0° | 0.0° |
| C46 | C48 | C50 | H50 | 179.9° | 179.9° |
| C47 | C49 | C52 | C50 | 1.3° | 0.3° |
| C47 | C49 | C52 | C51 | 178.1° | 180.0° |
| C47 | C49 | C52 | H52 | 178.7° | 180.0° |
| C47 | C49 | C51 | O54 | 14.3° | 0.0° |
| C47 | C49 | C51 | N53 | 165.6° | 180.0° |
| H47 | C47 | C49 | C52 | 179.2° | 180.0° |
| H47 | C47 | C49 | C51 | 1.2° | 0.0° |
| C48 | C50 | C52 | H50 | 180.0° | 179.9° |
| C48 | C50 | C52 | C49 | 0.9° | 0.3° |
| C48 | C50 | C52 | H52 | 179.1° | 180.0° |
| H48 | C48 | C50 | C52 | 180.0° | 180.0° |
| H48 | C48 | C50 | H50 | 0.1° | 0.0° |
| C50 | C52 | C49 | H52 | 180.0° | 179.7° |
| C50 | C52 | C49 | C51 | 179.4° | 179.8° |
| H50 | C50 | C52 | C49 | 179.1° | 179.7° |
| H50 | C50 | C52 | H52 | 0.9° | 0.0° |
| C52 | C49 | C51 | O54 | 167.7° | 180.0° |
| C52 | C49 | C51 | N53 | 12.4° | 0.0° |
| H52 | C52 | C49 | C51 | 0.6° | 0.1° |
| C49 | C51 | O54 | N53 | 179.9° | 180.0° |
| C49 | C51 | N53 | C55 | 178.1° | 175.6° |
| C49 | C51 | N53 | H53 | 1.9° | 4.4° |
| O54 | C51 | N53 | C55 | 1.8° | 4.4° |
| O54 | C51 | N53 | H53 | 178.2° | 175.6° |
| C51 | N53 | C55 | H53 | 180.0° | 180.0° |
| C51 | N53 | C55 | C56 | 3.8° | 34.1° |
| C51 | N53 | C55 | C57 | 174.4° | 145.7° |
| N53 | C55 | C56 | C57 | 178.1° | 179.8° |
| N53 | C55 | C56 | C58 | 179.6° | 180.0° |
| N53 | C55 | C56 | H56 | 0.4° | 0.0° |
| N53 | C55 | C57 | C59 | 1.5° | 0.0° |
| N53 | C55 | C57 | C60 | 179.0° | 180.0° |
| H53 | N53 | C55 | C56 | 176.1° | 146.0° |
| H53 | N53 | C55 | C57 | 5.6° | 34.3° |
| C55 | C56 | C58 | H56 | 180.0° | 180.0° |
| C56 | C55 | C57 | C59 | 179.8° | 179.7° |
| C56 | C55 | C57 | C60 | 0.7° | 0.2° |
| C55 | C56 | C58 | C62 | 3.3° | 0.0° |
| C55 | C56 | C58 | C61 | 177.4° | 180.0° |
| C57 | C55 | C56 | C58 | 2.3° | 0.2° |
| C57 | C55 | C56 | H56 | 177.8° | 179.7° |
| C55 | C57 | C59 | C60 | 179.5° | 180.0° |
| C55 | C57 | C59 | H591 | 89.8° | 90.0° |
| C55 | C57 | C59 | H592 | 150.2° | 150.0° |
| C55 | C57 | C59 | H593 | 30.2° | 30.0° |
| C55 | C57 | C60 | C62 | 0.1° | 0.0° |
| C55 | C57 | C60 | H60 | 179.9° | 180.0° |
| C56 | C58 | C62 | C60 | 2.8° | 0.3° |
| C56 | C58 | C62 | C61 | 174.5° | 180.0° |
| C56 | C58 | C62 | H62 | 177.2° | 180.0° |
| C56 | C58 | C61 | O64 | 139.5° | 4.4° |
| C56 | C58 | C61 | N63 | 43.5° | 175.6° |
| H56 | C56 | C58 | C62 | 176.7° | 180.0° |
| H56 | C56 | C58 | C61 | 2.6° | 0.0° |
| C57 | C59 | H591 | H592 | 120.0° | 120.0° |
| C57 | C59 | H591 | H593 | 120.0° | 120.1° |
| C57 | C59 | H592 | H593 | 120.0° | 120.1° |
| C59 | C57 | C60 | C62 | 179.5° | 180.0° |
| C59 | C57 | C60 | H60 | 0.4° | 0.0° |
| C60 | C57 | C59 | H591 | 89.7° | 90.0° |
| C60 | C57 | C59 | H592 | 30.3° | 30.0° |
| C60 | C57 | C59 | H593 | 150.3° | 150.0° |
| C57 | C60 | C62 | H60 | 180.0° | 180.0° |
| C57 | C60 | C62 | C58 | 1.1° | 0.3° |
| C57 | C60 | C62 | H62 | 178.9° | 180.0° |
| H591 | C59 | H592 | H593 | 120.0° | 120.0° |
| C60 | C62 | C58 | H62 | 180.0° | 179.7° |
| C60 | C62 | C58 | C61 | 177.3° | 179.7° |
| H60 | C60 | C62 | C58 | 178.9° | 179.8° |
| H60 | C60 | C62 | H62 | 1.1° | 0.1° |
| C62 | C58 | C61 | O64 | 46.1° | 175.6° |
| C62 | C58 | C61 | N63 | 130.8° | 4.4° |
| H62 | C62 | C58 | C61 | 2.7° | 0.0° |
| C58 | C61 | O64 | N63 | 176.5° | 180.0° |
| C58 | C61 | N63 | C65 | 174.1° | 175.5° |
| C58 | C61 | N63 | H63 | 5.9° | 4.4° |
| O64 | C61 | N63 | C65 | 2.7° | 4.5° |
| O64 | C61 | N63 | H63 | 177.2° | 175.6° |
| C61 | N63 | C65 | H63 | 180.0° | 179.9° |
| C61 | N63 | C65 | C67 | 71.9° | 50.5° |
| C61 | N63 | C65 | C66 | 112.1° | 129.2° |
| N63 | C65 | C67 | C66 | 176.4° | 179.7° |
| N63 | C65 | C67 | C70 | 178.4° | 179.9° |
| N63 | C65 | C67 | H67 | 1.6° | 0.1° |
| N63 | C65 | C66 | C68 | 177.4° | 179.8° |
| N63 | C65 | C66 | C69 | 3.6° | 0.0° |
| H63 | N63 | C65 | C67 | 108.2° | 129.4° |
| H63 | N63 | C65 | C66 | 67.9° | 50.9° |
| C65 | C67 | C70 | H67 | 180.0° | 180.0° |
| C65 | C67 | C70 | C71 | 1.0° | 0.1° |
| C65 | C67 | C70 | H70 | 179.0° | 179.9° |
| C67 | C65 | C66 | C68 | 1.8° | 0.5° |
| C67 | C65 | C66 | C69 | 179.3° | 179.7° |
| C66 | C65 | C67 | C70 | 1.9° | 0.2° |
| C66 | C65 | C67 | H67 | 178.0° | 179.8° |
| C65 | C66 | C68 | C71 | 0.8° | 0.5° |
| C65 | C66 | C68 | C69 | 179.0° | 179.8° |
| C65 | C66 | C68 | C72 | 179.2° | 179.7° |
| C65 | C66 | C69 | S73 | 1.1° | 0.0° |
| C65 | C66 | C69 | C74 | 179.1° | 180.0° |
| C67 | C70 | C71 | H70 | 180.0° | 179.8° |
| C67 | C70 | C71 | S75 | 179.6° | 180.0° |
| C67 | C70 | C71 | C68 | 0.1° | 0.1° |
| H67 | C67 | C70 | C71 | 178.9° | 179.9° |
| H67 | C67 | C70 | H70 | 1.0° | 0.1° |
| C70 | C71 | S75 | C68 | 179.6° | 179.9° |
| C70 | C71 | S75 | O80 | 132.0° | 83.5° |
| C70 | C71 | S75 | O81 | 107.5° | 143.6° |
| C70 | C71 | S75 | O82 | 11.1° | 30.1° |
| C70 | C71 | C68 | C66 | 0.0° | 0.2° |
| C70 | C71 | C68 | C72 | 180.0° | 180.0° |
| H70 | C70 | C71 | S75 | 0.4° | 0.2° |
| H70 | C70 | C71 | C68 | 180.0° | 179.9° |
| C71 | S75 | O80 | O81 | 119.8° | 122.9° |
| C71 | S75 | O80 | O82 | 120.1° | 114.1° |
| C71 | S75 | O81 | O82 | 118.2° | 114.1° |
| C71 | S75 | O82 | H82 | 118.2° | 180.0° |
| S75 | C71 | C68 | C66 | 179.6° | 179.7° |
| S75 | C71 | C68 | C72 | 0.3° | 0.1° |
| C68 | C71 | S75 | O80 | 48.4° | 96.4° |
| C68 | C71 | S75 | O81 | 72.1° | 36.5° |
| C68 | C71 | S75 | O82 | 169.3° | 150.1° |
| C71 | C68 | C66 | C72 | 180.0° | 179.8° |
| C71 | C68 | C66 | C69 | 179.9° | 179.7° |
| C71 | C68 | C72 | C76 | 179.8° | 179.9° |
| C71 | C68 | C72 | H72 | 0.2° | 0.0° |
| O80 | S75 | O81 | O82 | 120.5° | 123.0° |
| O80 | S75 | O82 | H82 | 120.3° | 66.5° |
| O81 | S75 | O82 | H82 | 0.0° | 66.4° |
| C66 | C68 | C72 | C76 | 0.2° | 0.3° |
| C66 | C68 | C72 | H72 | 179.7° | 179.8° |
| C68 | C66 | C69 | S73 | 180.0° | 179.8° |
| C68 | C66 | C69 | C74 | 0.2° | 0.2° |
| C69 | C66 | C68 | C72 | 0.2° | 0.1° |
| C66 | C69 | S73 | C74 | 179.8° | 180.0° |
| C66 | C69 | S73 | O77 | 56.1° | 54.8° |
| C66 | C69 | S73 | O78 | 65.8° | 78.1° |
| C66 | C69 | S73 | O79 | 174.2° | 168.3° |
| C66 | C69 | C74 | C76 | 0.2° | 0.9° |
| C66 | C69 | C74 | H74 | 179.8° | 180.0° |
| C68 | C72 | C76 | H72 | 180.0° | 179.9° |
| C68 | C72 | C76 | C74 | 0.3° | 0.9° |
| C68 | C72 | C76 | S83 | 179.9° | 180.0° |
| C72 | C76 | C74 | C69 | 0.3° | 1.3° |
| C72 | C76 | C74 | S83 | 179.6° | 179.1° |
| C72 | C76 | C74 | H74 | 179.7° | 179.6° |
| C72 | C76 | S83 | O85 | 22.3° | 90.0° |
| C72 | C76 | S83 | O86 | 97.0° | 156.5° |
| C72 | C76 | S83 | O84 | 141.5° | 23.6° |
| H72 | C72 | C76 | C74 | 179.7° | 179.2° |
| H72 | C72 | C76 | S83 | 0.1° | 0.1° |
| C69 | S73 | O77 | O78 | 122.1° | 122.9° |
| C69 | S73 | O77 | O79 | 118.6° | 114.1° |
| C69 | S73 | O78 | O79 | 119.2° | 114.1° |
| C69 | S73 | O79 | H79 | 120.5° | 180.0° |
| S73 | C69 | C74 | C76 | 179.9° | 179.1° |
| S73 | C69 | C74 | H74 | 0.1° | 0.0° |
| C74 | C69 | S73 | O77 | 124.1° | 125.2° |
| C74 | C69 | S73 | O78 | 114.0° | 101.9° |
| C74 | C69 | S73 | O79 | 6.0° | 11.7° |
| C69 | C74 | C76 | H74 | 180.0° | 179.1° |
| C69 | C74 | C76 | S83 | 179.9° | 179.7° |
| O77 | S73 | O78 | O79 | 117.9° | 123.0° |
| O77 | S73 | O79 | H79 | 0.0° | 66.4° |
| O78 | S73 | O79 | H79 | 119.2° | 66.5° |
| C74 | C76 | S83 | O85 | 157.4° | 89.1° |
| C74 | C76 | S83 | O86 | 83.4° | 24.4° |
| C74 | C76 | S83 | O84 | 38.1° | 157.3° |
| H74 | C74 | C76 | S83 | 0.1° | 0.6° |
| C76 | S83 | O85 | O86 | 119.9° | 113.5° |
| C76 | S83 | O85 | O84 | 119.3° | 113.6° |
| C76 | S83 | O86 | O84 | 121.1° | 122.9° |
| C76 | S83 | O85 | H85 | 119.9° | 180.0° |
| O85 | S83 | O86 | O84 | 120.3° | 122.9° |
| O86 | S83 | O85 | H85 | 0.0° | 66.5° |
| O84 | S83 | O85 | H85 | 120.8° | 66.4° |
