SG9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O52 | C52 | doub | 1.23Å | 1.23Å | |
| C52 | C53 | sing | 1.50Å | 1.50Å | |
| C52 | O5 | sing | 1.35Å | 1.35Å | |
| O5 | C5 | sing | 1.44Å | 1.44Å | |
| C5 | C6 | sing | 1.55Å | 1.55Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.55Å | 1.55Å | |
| C4 | C3 | sing | 1.54Å | 1.54Å | |
| C7 | O11 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.54Å | 1.54Å | |
| C7 | O7 | sing | 1.43Å | 1.43Å | |
| O11 | C11 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.54Å | 1.54Å | |
| C3 | O7 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.54Å | 1.54Å | |
| C12 | C11 | sing | 1.55Å | 1.55Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C10 | C9 | sing | 1.54Å | 1.54Å | |
| C9 | C54 | sing | 1.53Å | 1.53Å | |
| C9 | O9 | sing | 1.43Å | 1.43Å | |
| C13 | C55 | doub | 1.34Å | 1.34Å | |
| C13 | C14 | sing | 1.52Å | 1.52Å | |
| C56 | C14 | sing | 1.55Å | 1.55Å | |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C1 | O41 | sing | 1.36Å | 1.36Å | |
| C14 | C15 | sing | 1.58Å | 1.58Å | |
| O15 | C57 | sing | 1.38Å | 1.38Å | |
| O15 | C15 | sing | 1.45Å | 1.45Å | |
| O41 | C41 | sing | 1.45Å | 1.45Å | |
| C58 | C57 | sing | 1.50Å | 1.50Å | |
| C57 | O57 | doub | 1.23Å | 1.23Å | |
| C15 | C16 | sing | 1.56Å | 1.56Å | |
| C62 | C40 | sing | 1.55Å | 1.55Å | |
| C41 | C40 | sing | 1.55Å | 1.55Å | |
| C41 | C42 | sing | 1.55Å | 1.55Å | |
| C16 | C59 | sing | 1.54Å | 1.54Å | |
| C16 | C17 | sing | 1.50Å | 1.50Å | |
| C40 | C39 | sing | 1.55Å | 1.55Å | |
| O42 | C42 | sing | 1.44Å | 1.44Å | |
| C42 | C43 | sing | 1.54Å | 1.54Å | |
| C17 | C18 | sing | 1.52Å | 1.52Å | |
| C17 | O17 | doub | 1.22Å | 1.22Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.56Å | 1.56Å | |
| C39 | O43 | sing | 1.45Å | 1.45Å | |
| C43 | O43 | sing | 1.42Å | 1.42Å | |
| C43 | C44 | sing | 1.55Å | 1.55Å | |
| C38 | O38 | sing | 1.43Å | 1.43Å | |
| C38 | C37 | sing | 1.56Å | 1.56Å | |
| C19 | C20 | sing | 1.52Å | 1.52Å | |
| C19 | O23 | sing | 1.45Å | 1.45Å | |
| C51 | C50 | doub | 1.35Å | 1.35Å | |
| O25 | C25 | sing | 1.44Å | 1.44Å | |
| C44 | C45 | sing | 1.52Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| O23 | C23 | sing | 1.44Å | 1.44Å | |
| C37 | O33 | sing | 1.44Å | 1.44Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C37 | O37 | sing | 1.43Å | 1.43Å | |
| C49 | C50 | sing | 1.47Å | 1.47Å | |
| C49 | C48 | doub | 1.35Å | 1.35Å | |
| C50 | CL1 | sing | 1.75Å | 1.75Å | |
| O33 | C33 | sing | 1.44Å | 1.44Å | |
| C36 | C35 | sing | 1.54Å | 1.54Å | |
| C21 | O21 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | sing | 1.54Å | 1.54Å | |
| C25 | C24 | sing | 1.54Å | 1.54Å | |
| C25 | C26 | sing | 1.54Å | 1.54Å | |
| C61 | C34 | sing | 1.53Å | 1.53Å | |
| C45 | C63 | doub | 1.33Å | 1.33Å | |
| C45 | C46 | sing | 1.51Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C47 | C48 | sing | 1.52Å | 1.52Å | |
| C47 | C46 | sing | 1.54Å | 1.54Å | |
| C47 | O47 | sing | 1.42Å | 1.42Å | |
| O21 | C60 | sing | 1.42Å | 1.42Å | |
| C23 | C22 | sing | 1.54Å | 1.54Å | |
| C23 | O27 | sing | 1.45Å | 1.45Å | |
| C30 | C31 | sing | 1.54Å | 1.54Å | |
| C30 | C29 | sing | 1.51Å | 1.51Å | |
| C31 | C32 | sing | 1.54Å | 1.54Å | |
| C32 | C33 | sing | 1.54Å | 1.54Å | |
| C33 | C34 | sing | 1.55Å | 1.55Å | |
| C26 | C27 | sing | 1.54Å | 1.54Å | |
| C35 | C34 | sing | 1.54Å | 1.54Å | |
| C35 | O35 | sing | 1.43Å | 1.43Å | |
| C27 | O27 | sing | 1.45Å | 1.45Å | |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C29 | C28 | doub | 1.34Å | 1.34Å | |
| C4 | H041 | sing | 1.10Å | 1.10Å | |
| C4 | H042 | sing | 1.10Å | 1.10Å | |
| C5 | H05 | sing | 1.10Å | 1.10Å | |
| C6 | H062 | sing | 1.10Å | 1.10Å | |
| C6 | H061 | sing | 1.10Å | 1.10Å | |
| C8 | H081 | sing | 1.10Å | 1.10Å | |
| C8 | H082 | sing | 1.10Å | 1.10Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C15 | H15 | sing | 1.10Å | 1.10Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C20 | H202 | sing | 1.10Å | 1.10Å | |
| C21 | H21 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.10Å | 1.10Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C24 | H241 | sing | 1.10Å | 1.10Å | |
| C24 | H242 | sing | 1.10Å | 1.10Å | |
| C26 | H262 | sing | 1.10Å | 1.10Å | |
| C26 | H261 | sing | 1.10Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.10Å | 1.10Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C12 | H122 | sing | 1.10Å | 1.10Å | |
| C14 | H14 | sing | 1.10Å | 1.10Å | |
| C16 | H16 | sing | 1.10Å | 1.10Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| C19 | H19 | sing | 1.10Å | 1.10Å | |
| C2 | H022 | sing | 1.10Å | 1.10Å | |
| C2 | H021 | sing | 1.10Å | 1.10Å | |
| C25 | H25 | sing | 1.10Å | 1.10Å | |
| C27 | H27 | sing | 1.10Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C3 | H03 | sing | 1.10Å | 1.10Å | |
| C30 | H302 | sing | 1.10Å | 1.10Å | |
| C30 | H301 | sing | 1.10Å | 1.10Å | |
| C31 | H311 | sing | 1.10Å | 1.10Å | |
| C31 | H312 | sing | 1.10Å | 1.10Å | |
| C32 | H321 | sing | 1.10Å | 1.10Å | |
| C32 | H322 | sing | 1.10Å | 1.10Å | |
| C33 | H33 | sing | 1.10Å | 1.10Å | |
| C34 | H34 | sing | 1.10Å | 1.10Å | |
| C35 | H351 | sing | 1.10Å | 1.10Å | |
| C36 | H362 | sing | 1.10Å | 1.10Å | |
| C36 | H361 | sing | 1.10Å | 1.10Å | |
| C38 | H381 | sing | 1.10Å | 1.10Å | |
| C39 | H39 | sing | 1.10Å | 1.10Å | |
| C40 | H40 | sing | 1.10Å | 1.10Å | |
| C41 | H41 | sing | 1.10Å | 1.10Å | |
| C42 | H421 | sing | 1.10Å | 1.10Å | |
| C43 | H43 | sing | 1.10Å | 1.10Å | |
| C44 | H441 | sing | 1.10Å | 1.10Å | |
| C44 | H442 | sing | 1.10Å | 1.10Å | |
| C46 | H461 | sing | 1.10Å | 1.10Å | |
| C46 | H462 | sing | 1.10Å | 1.10Å | |
| C47 | H471 | sing | 1.10Å | 1.10Å | |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C51 | H511 | sing | 1.08Å | 1.08Å | |
| C51 | H512 | sing | 1.08Å | 1.08Å | |
| C53 | H533 | sing | 1.10Å | 1.10Å | |
| C53 | H532 | sing | 1.10Å | 1.10Å | |
| C53 | H531 | sing | 1.10Å | 1.10Å | |
| C54 | H543 | sing | 1.10Å | 1.10Å | |
| C54 | H541 | sing | 1.10Å | 1.10Å | |
| C54 | H542 | sing | 1.10Å | 1.10Å | |
| C55 | H551 | sing | 1.08Å | 1.08Å | |
| C55 | H552 | sing | 1.08Å | 1.08Å | |
| C56 | H563 | sing | 1.10Å | 1.10Å | |
| C56 | H562 | sing | 1.10Å | 1.10Å | |
| C56 | H561 | sing | 1.10Å | 1.10Å | |
| C58 | H582 | sing | 1.10Å | 1.10Å | |
| C58 | H583 | sing | 1.10Å | 1.10Å | |
| C58 | H581 | sing | 1.10Å | 1.10Å | |
| C59 | H592 | sing | 1.10Å | 1.10Å | |
| C59 | H593 | sing | 1.10Å | 1.10Å | |
| C59 | H591 | sing | 1.10Å | 1.10Å | |
| C60 | H601 | sing | 1.10Å | 1.10Å | |
| C60 | H602 | sing | 1.10Å | 1.10Å | |
| C60 | H603 | sing | 1.10Å | 1.10Å | |
| C61 | H612 | sing | 1.10Å | 1.10Å | |
| C61 | H613 | sing | 1.10Å | 1.10Å | |
| C61 | H611 | sing | 1.10Å | 1.10Å | |
| C62 | H621 | sing | 1.10Å | 1.10Å | |
| C62 | H623 | sing | 1.10Å | 1.10Å | |
| C62 | H622 | sing | 1.10Å | 1.10Å | |
| C63 | H631 | sing | 1.08Å | 1.08Å | |
| C63 | H632 | sing | 1.08Å | 1.08Å | |
| O25 | H025 | sing | 0.95Å | 0.95Å | |
| O35 | H352 | sing | 0.95Å | 0.95Å | |
| O37 | H37 | sing | 0.95Å | 0.95Å | |
| O38 | H382 | sing | 0.95Å | 0.95Å | |
| O42 | H422 | sing | 0.95Å | 0.95Å | |
| O47 | H472 | sing | 0.95Å | 0.95Å | |
| O9 | H09 | sing | 0.95Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O52 | C52 | C53 | 123.2° | 123.2° |
| O52 | C52 | O5 | 120.9° | 120.9° |
| C53 | C52 | O5 | 116.0° | 116.0° |
| C52 | C53 | H533 | 109.5° | 109.5° |
| C52 | C53 | H532 | 109.5° | 109.5° |
| C52 | C53 | H531 | 109.5° | 109.5° |
| C52 | O5 | C5 | 124.2° | 124.2° |
| O5 | C5 | C6 | 109.5° | 109.5° |
| O5 | C5 | C4 | 108.6° | 108.6° |
| O5 | C5 | H05 | 110.6° | 110.6° |
| C6 | C5 | C4 | 109.8° | 109.8° |
| C5 | C6 | C7 | 110.1° | 110.1° |
| C6 | C5 | H05 | 109.1° | 109.1° |
| C5 | C6 | H062 | 109.3° | 109.3° |
| C5 | C6 | H061 | 109.3° | 109.3° |
| C5 | C4 | C3 | 112.7° | 112.7° |
| C5 | C4 | H041 | 108.7° | 108.7° |
| C5 | C4 | H042 | 108.7° | 108.7° |
| C4 | C5 | H05 | 109.3° | 109.3° |
| C6 | C7 | O11 | 110.1° | 110.1° |
| C6 | C7 | C8 | 110.2° | 110.2° |
| C6 | C7 | O7 | 109.1° | 109.1° |
| C7 | C6 | H062 | 109.3° | 109.3° |
| C7 | C6 | H061 | 109.3° | 109.3° |
| C4 | C3 | O7 | 110.0° | 110.0° |
| C4 | C3 | C2 | 107.9° | 107.9° |
| C3 | C4 | H041 | 108.7° | 108.7° |
| C3 | C4 | H042 | 108.7° | 108.7° |
| C4 | C3 | H03 | 109.6° | 109.6° |
| O11 | C7 | C8 | 109.6° | 109.6° |
| O11 | C7 | O7 | 109.5° | 109.5° |
| C7 | O11 | C11 | 118.9° | 118.9° |
| C8 | C7 | O7 | 108.3° | 108.3° |
| C7 | C8 | C9 | 108.9° | 108.9° |
| C7 | C8 | H081 | 109.7° | 109.7° |
| C7 | C8 | H082 | 109.6° | 109.6° |
| C7 | O7 | C3 | 113.9° | 113.9° |
| O11 | C11 | C12 | 106.6° | 106.6° |
| O11 | C11 | C10 | 109.8° | 109.8° |
| O11 | C11 | H11 | 109.7° | 109.7° |
| C8 | C9 | C10 | 110.6° | 110.6° |
| C8 | C9 | C54 | 109.0° | 109.0° |
| C8 | C9 | O9 | 109.5° | 109.5° |
| C9 | C8 | H081 | 109.6° | 109.6° |
| C9 | C8 | H082 | 109.6° | 109.6° |
| O7 | C3 | C2 | 108.7° | 108.7° |
| O7 | C3 | H03 | 111.2° | 111.2° |
| C3 | C2 | C1 | 113.0° | 113.0° |
| C3 | C2 | H022 | 108.6° | 108.6° |
| C3 | C2 | H021 | 108.6° | 108.6° |
| C2 | C3 | H03 | 109.5° | 109.5° |
| C11 | C12 | C13 | 114.9° | 114.9° |
| C12 | C11 | C10 | 114.2° | 114.2° |
| C12 | C11 | H11 | 108.1° | 108.1° |
| C11 | C12 | H121 | 108.1° | 108.1° |
| C11 | C12 | H122 | 108.1° | 108.1° |
| C12 | C13 | C55 | 121.9° | 121.9° |
| C12 | C13 | C14 | 114.3° | 114.3° |
| C13 | C12 | H121 | 108.1° | 108.1° |
| C13 | C12 | H122 | 108.1° | 108.1° |
| C11 | C10 | C9 | 110.7° | 110.7° |
| C11 | C10 | H101 | 109.2° | 109.2° |
| C11 | C10 | H102 | 109.2° | 109.2° |
| C10 | C11 | H11 | 108.3° | 108.3° |
| C2 | C1 | O1 | 121.1° | 121.1° |
| C2 | C1 | O41 | 118.1° | 118.1° |
| C1 | C2 | H022 | 108.6° | 108.6° |
| C1 | C2 | H021 | 108.6° | 108.6° |
| C10 | C9 | C54 | 107.1° | 107.1° |
| C10 | C9 | O9 | 111.8° | 111.8° |
| C9 | C10 | H101 | 109.2° | 109.2° |
| C9 | C10 | H102 | 109.2° | 109.2° |
| C54 | C9 | O9 | 108.8° | 108.8° |
| C9 | C54 | H543 | 109.5° | 109.5° |
| C9 | C54 | H541 | 109.4° | 109.4° |
| C9 | C54 | H542 | 109.5° | 109.5° |
| C9 | O9 | H09 | 109.5° | 109.5° |
| C55 | C13 | C14 | 123.7° | 123.7° |
| C13 | C55 | H551 | 120.0° | 120.0° |
| C13 | C55 | H552 | 120.0° | 120.0° |
| C13 | C14 | C56 | 118.1° | 118.1° |
| C13 | C14 | C15 | 106.7° | 106.7° |
| C13 | C14 | H14 | 106.6° | 106.6° |
| C56 | C14 | C15 | 112.3° | 112.3° |
| C56 | C14 | H14 | 106.3° | 106.3° |
| C14 | C56 | H563 | 109.5° | 109.5° |
| C14 | C56 | H562 | 109.5° | 109.5° |
| C14 | C56 | H561 | 109.5° | 109.5° |
| O1 | C1 | O41 | 120.8° | 120.8° |
| C1 | O41 | C41 | 123.9° | 123.9° |
| C14 | C15 | O15 | 110.4° | 110.4° |
| C14 | C15 | C16 | 117.9° | 117.9° |
| C14 | C15 | H15 | 106.1° | 106.1° |
| C15 | C14 | H14 | 106.0° | 106.0° |
| C57 | O15 | C15 | 126.8° | 126.8° |
| O15 | C57 | C58 | 116.4° | 116.4° |
| O15 | C57 | O57 | 122.2° | 122.2° |
| O15 | C15 | C16 | 108.0° | 108.0° |
| O15 | C15 | H15 | 107.6° | 107.6° |
| O41 | C41 | C40 | 108.5° | 108.5° |
| O41 | C41 | C42 | 109.3° | 109.3° |
| O41 | C41 | H41 | 110.1° | 110.1° |
| C58 | C57 | O57 | 121.4° | 121.4° |
| C57 | C58 | H582 | 109.5° | 109.5° |
| C57 | C58 | H583 | 109.4° | 109.4° |
| C57 | C58 | H581 | 109.5° | 109.5° |
| C15 | C16 | C59 | 110.3° | 110.3° |
| C15 | C16 | C17 | 115.9° | 115.9° |
| C16 | C15 | H15 | 106.3° | 106.3° |
| C15 | C16 | H16 | 106.1° | 106.1° |
| C62 | C40 | C41 | 109.3° | 109.3° |
| C62 | C40 | C39 | 110.3° | 110.3° |
| C62 | C40 | H40 | 110.7° | 110.7° |
| C40 | C62 | H621 | 109.5° | 109.5° |
| C40 | C62 | H623 | 109.5° | 109.5° |
| C40 | C62 | H622 | 109.5° | 109.5° |
| C40 | C41 | C42 | 111.3° | 111.3° |
| C41 | C40 | C39 | 105.1° | 105.1° |
| C41 | C40 | H40 | 110.6° | 110.6° |
| C40 | C41 | H41 | 108.8° | 108.8° |
| C41 | C42 | O42 | 109.6° | 109.6° |
| C41 | C42 | C43 | 113.8° | 113.8° |
| C42 | C41 | H41 | 108.8° | 108.8° |
| C41 | C42 | H421 | 107.2° | 107.2° |
| C59 | C16 | C17 | 111.0° | 111.0° |
| C59 | C16 | H16 | 106.2° | 106.2° |
| C16 | C59 | H592 | 109.5° | 109.5° |
| C16 | C59 | H593 | 109.5° | 109.5° |
| C16 | C59 | H591 | 109.5° | 109.5° |
| C16 | C17 | C18 | 117.7° | 117.7° |
| C16 | C17 | O17 | 118.6° | 118.6° |
| C17 | C16 | H16 | 106.6° | 106.6° |
| C40 | C39 | C38 | 117.2° | 117.2° |
| C40 | C39 | O43 | 115.5° | 115.5° |
| C40 | C39 | H39 | 107.4° | 107.4° |
| C39 | C40 | H40 | 110.6° | 110.6° |
| O42 | C42 | C43 | 110.4° | 110.4° |
| O42 | C42 | H421 | 108.5° | 108.5° |
| C42 | O42 | H422 | 109.5° | 109.5° |
| C42 | C43 | O43 | 102.6° | 102.6° |
| C42 | C43 | C44 | 110.1° | 110.1° |
| C43 | C42 | H421 | 107.2° | 107.2° |
| C42 | C43 | H43 | 109.4° | 109.4° |
| C18 | C17 | O17 | 123.7° | 123.7° |
| C17 | C18 | C19 | 113.0° | 113.0° |
| C17 | C18 | H181 | 108.6° | 108.6° |
| C17 | C18 | H182 | 108.6° | 108.6° |
| C18 | C19 | C20 | 115.1° | 115.1° |
| C18 | C19 | O23 | 104.8° | 104.8° |
| C19 | C18 | H181 | 108.6° | 108.6° |
| C19 | C18 | H182 | 108.5° | 108.6° |
| C18 | C19 | H19 | 109.2° | 109.2° |
| C38 | C39 | O43 | 100.2° | 100.2° |
| C39 | C38 | O38 | 109.4° | 109.4° |
| C39 | C38 | C37 | 111.2° | 111.2° |
| C39 | C38 | H381 | 108.0° | 108.0° |
| C38 | C39 | H39 | 107.3° | 107.3° |
| C39 | O43 | C43 | 119.5° | 119.5° |
| O43 | C39 | H39 | 108.6° | 108.6° |
| O43 | C43 | C44 | 114.1° | 114.1° |
| O43 | C43 | H43 | 111.2° | 111.2° |
| C43 | C44 | C45 | 115.2° | 115.2° |
| C44 | C43 | H43 | 109.2° | 109.2° |
| C43 | C44 | H441 | 108.0° | 108.0° |
| C43 | C44 | H442 | 108.0° | 108.0° |
| O38 | C38 | C37 | 110.5° | 110.5° |
| O38 | C38 | H381 | 109.7° | 109.7° |
| C38 | O38 | H382 | 109.5° | 109.5° |
| C38 | C37 | O33 | 115.2° | 115.2° |
| C38 | C37 | C36 | 108.4° | 108.4° |
| C38 | C37 | O37 | 105.9° | 105.9° |
| C37 | C38 | H381 | 108.0° | 108.0° |
| C20 | C19 | O23 | 107.8° | 107.8° |
| C19 | C20 | C21 | 104.4° | 104.4° |
| C19 | C20 | H201 | 110.7° | 110.7° |
| C19 | C20 | H202 | 110.7° | 110.7° |
| C20 | C19 | H19 | 109.4° | 109.4° |
| C19 | O23 | C23 | 119.9° | 119.9° |
| O23 | C19 | H19 | 110.5° | 110.5° |
| C51 | C50 | C49 | 122.5° | 122.5° |
| C51 | C50 | CL1 | 120.4° | 120.4° |
| C50 | C51 | H511 | 120.0° | 120.0° |
| C50 | C51 | H512 | 120.0° | 120.0° |
| O25 | C25 | C24 | 110.3° | 110.3° |
| O25 | C25 | C26 | 108.7° | 108.7° |
| O25 | C25 | H25 | 108.2° | 108.2° |
| C25 | O25 | H025 | 109.5° | 109.5° |
| C44 | C45 | C63 | 119.5° | 119.5° |
| C44 | C45 | C46 | 121.3° | 121.3° |
| C45 | C44 | H441 | 108.0° | 108.0° |
| C45 | C44 | H442 | 108.0° | 108.0° |
| C20 | C21 | O21 | 109.1° | 109.1° |
| C20 | C21 | C22 | 110.7° | 110.7° |
| C21 | C20 | H201 | 110.7° | 110.7° |
| C21 | C20 | H202 | 110.7° | 110.7° |
| C20 | C21 | H21 | 107.1° | 107.1° |
| O23 | C23 | C24 | 108.0° | 108.0° |
| O23 | C23 | C22 | 111.4° | 111.4° |
| O23 | C23 | O27 | 110.8° | 110.8° |
| O33 | C37 | C36 | 109.8° | 109.8° |
| O33 | C37 | O37 | 108.8° | 108.8° |
| C37 | O33 | C33 | 119.8° | 119.8° |
| C36 | C37 | O37 | 108.6° | 108.6° |
| C37 | C36 | C35 | 112.0° | 112.0° |
| C37 | C36 | H362 | 108.8° | 108.8° |
| C37 | C36 | H361 | 108.8° | 108.8° |
| C37 | O37 | H37 | 109.5° | 109.5° |
| C50 | C49 | C48 | 124.4° | 124.4° |
| C49 | C50 | CL1 | 117.1° | 117.1° |
| C50 | C49 | H49 | 117.8° | 117.8° |
| C49 | C48 | C47 | 123.7° | 123.7° |
| C49 | C48 | H48 | 118.2° | 118.2° |
| C48 | C49 | H49 | 117.8° | 117.8° |
| O33 | C33 | C32 | 107.5° | 107.5° |
| O33 | C33 | C34 | 111.9° | 111.9° |
| O33 | C33 | H33 | 109.7° | 109.7° |
| C36 | C35 | C34 | 111.4° | 111.4° |
| C36 | C35 | O35 | 110.3° | 110.3° |
| C36 | C35 | H351 | 108.6° | 108.6° |
| C35 | C36 | H362 | 108.8° | 108.8° |
| C35 | C36 | H361 | 108.8° | 108.8° |
| O21 | C21 | C22 | 114.5° | 114.5° |
| C21 | O21 | C60 | 113.0° | 113.0° |
| O21 | C21 | H21 | 108.3° | 108.3° |
| C21 | C22 | C23 | 109.3° | 109.3° |
| C22 | C21 | H21 | 107.0° | 107.0° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| C21 | C22 | H221 | 109.5° | 109.5° |
| C24 | C25 | C26 | 115.0° | 115.0° |
| C25 | C24 | C23 | 111.6° | 111.6° |
| C25 | C24 | H241 | 108.9° | 108.9° |
| C25 | C24 | H242 | 108.9° | 108.9° |
| C24 | C25 | H25 | 107.1° | 107.1° |
| C25 | C26 | C27 | 113.8° | 113.8° |
| C25 | C26 | H262 | 108.4° | 108.4° |
| C25 | C26 | H261 | 108.4° | 108.4° |
| C26 | C25 | H25 | 107.1° | 107.1° |
| C61 | C34 | C33 | 109.3° | 109.3° |
| C61 | C34 | C35 | 112.2° | 112.2° |
| C61 | C34 | H34 | 109.0° | 109.0° |
| C34 | C61 | H612 | 109.5° | 109.5° |
| C34 | C61 | H613 | 109.5° | 109.5° |
| C34 | C61 | H611 | 109.5° | 109.5° |
| C63 | C45 | C46 | 119.2° | 119.2° |
| C45 | C63 | H631 | 120.0° | 120.0° |
| C45 | C63 | H632 | 120.0° | 120.0° |
| C45 | C46 | C47 | 112.4° | 112.4° |
| C45 | C46 | H461 | 108.7° | 108.7° |
| C45 | C46 | H462 | 108.7° | 108.7° |
| C24 | C23 | C22 | 107.8° | 107.8° |
| C24 | C23 | O27 | 111.2° | 111.2° |
| C23 | C24 | H241 | 109.0° | 109.0° |
| C23 | C24 | H242 | 108.9° | 108.9° |
| C48 | C47 | C46 | 110.7° | 110.7° |
| C48 | C47 | O47 | 113.0° | 113.0° |
| C48 | C47 | H471 | 107.8° | 107.8° |
| C47 | C48 | H48 | 118.2° | 118.2° |
| C46 | C47 | O47 | 108.7° | 108.7° |
| C47 | C46 | H461 | 108.7° | 108.7° |
| C47 | C46 | H462 | 108.7° | 108.8° |
| C46 | C47 | H471 | 107.5° | 107.5° |
| O47 | C47 | H471 | 109.0° | 109.0° |
| C47 | O47 | H472 | 109.5° | 109.5° |
| O21 | C60 | H601 | 109.5° | 109.5° |
| O21 | C60 | H602 | 109.4° | 109.4° |
| O21 | C60 | H603 | 109.5° | 109.5° |
| C22 | C23 | O27 | 107.7° | 107.7° |
| C23 | C22 | H222 | 109.5° | 109.5° |
| C23 | C22 | H221 | 109.5° | 109.5° |
| C23 | O27 | C27 | 117.0° | 117.0° |
| C31 | C30 | C29 | 112.5° | 112.5° |
| C30 | C31 | C32 | 113.6° | 113.6° |
| C31 | C30 | H302 | 108.7° | 108.7° |
| C31 | C30 | H301 | 108.7° | 108.7° |
| C30 | C31 | H311 | 108.5° | 108.4° |
| C30 | C31 | H312 | 108.4° | 108.4° |
| C30 | C29 | C28 | 123.6° | 123.6° |
| C30 | C29 | H29 | 118.2° | 118.2° |
| C29 | C30 | H302 | 108.7° | 108.7° |
| C29 | C30 | H301 | 108.7° | 108.7° |
| C31 | C32 | C33 | 109.8° | 109.8° |
| C32 | C31 | H311 | 108.4° | 108.5° |
| C32 | C31 | H312 | 108.4° | 108.4° |
| C31 | C32 | H321 | 109.4° | 109.4° |
| C31 | C32 | H322 | 109.4° | 109.4° |
| C32 | C33 | C34 | 110.8° | 110.8° |
| C33 | C32 | H321 | 109.4° | 109.4° |
| C33 | C32 | H322 | 109.4° | 109.4° |
| C32 | C33 | H33 | 108.4° | 108.4° |
| C33 | C34 | C35 | 108.5° | 108.5° |
| C34 | C33 | H33 | 108.4° | 108.4° |
| C33 | C34 | H34 | 108.8° | 108.8° |
| C26 | C27 | O27 | 110.0° | 110.0° |
| C26 | C27 | C28 | 108.6° | 108.6° |
| C27 | C26 | H262 | 108.4° | 108.4° |
| C27 | C26 | H261 | 108.4° | 108.4° |
| C26 | C27 | H27 | 108.1° | 108.1° |
| C34 | C35 | O35 | 107.8° | 107.8° |
| C35 | C34 | H34 | 109.0° | 108.9° |
| C34 | C35 | H351 | 108.6° | 108.6° |
| O35 | C35 | H351 | 110.1° | 110.1° |
| C35 | O35 | H352 | 109.5° | 109.5° |
| O27 | C27 | C28 | 112.4° | 112.4° |
| O27 | C27 | H27 | 109.3° | 109.3° |
| C27 | C28 | C29 | 122.5° | 122.5° |
| C27 | C28 | H28 | 118.8° | 118.8° |
| C28 | C27 | H27 | 108.4° | 108.4° |
| C29 | C28 | H28 | 118.8° | 118.8° |
| C28 | C29 | H29 | 118.2° | 118.2° |
| H041 | C4 | H042 | 109.5° | 109.5° |
| H062 | C6 | H061 | 109.5° | 109.5° |
| H081 | C8 | H082 | 109.4° | 109.4° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H262 | C26 | H261 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.4° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H022 | C2 | H021 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.4° | 109.4° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.4° | 109.4° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H461 | C46 | H462 | 109.5° | 109.4° |
| H511 | C51 | H512 | 120.0° | 120.0° |
| H533 | C53 | H532 | 109.5° | 109.5° |
| H533 | C53 | H531 | 109.5° | 109.5° |
| H532 | C53 | H531 | 109.5° | 109.5° |
| H543 | C54 | H541 | 109.5° | 109.5° |
| H543 | C54 | H542 | 109.5° | 109.5° |
| H541 | C54 | H542 | 109.5° | 109.5° |
| H551 | C55 | H552 | 120.0° | 120.0° |
| H563 | C56 | H562 | 109.5° | 109.5° |
| H563 | C56 | H561 | 109.4° | 109.5° |
| H562 | C56 | H561 | 109.5° | 109.5° |
| H582 | C58 | H583 | 109.4° | 109.4° |
| H582 | C58 | H581 | 109.5° | 109.5° |
| H583 | C58 | H581 | 109.5° | 109.5° |
| H592 | C59 | H593 | 109.5° | 109.4° |
| H592 | C59 | H591 | 109.5° | 109.5° |
| H593 | C59 | H591 | 109.4° | 109.4° |
| H601 | C60 | H602 | 109.5° | 109.5° |
| H601 | C60 | H603 | 109.5° | 109.4° |
| H602 | C60 | H603 | 109.5° | 109.5° |
| H612 | C61 | H613 | 109.5° | 109.5° |
| H612 | C61 | H611 | 109.5° | 109.5° |
| H613 | C61 | H611 | 109.4° | 109.4° |
| H621 | C62 | H623 | 109.5° | 109.5° |
| H621 | C62 | H622 | 109.5° | 109.5° |
| H623 | C62 | H622 | 109.5° | 109.5° |
| H631 | C63 | H632 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O52 | C52 | C53 | O5 | 179.6° | 179.6° |
| O52 | C52 | O5 | C5 | 19.3° | 19.3° |
| O52 | C52 | C53 | H533 | 0.0° | 0.0° |
| O52 | C52 | C53 | H532 | 120.0° | 120.0° |
| O52 | C52 | C53 | H531 | 120.0° | 120.0° |
| C53 | C52 | O5 | C5 | 161.1° | 161.1° |
| C52 | C53 | H533 | H532 | 120.0° | 120.0° |
| C52 | C53 | H533 | H531 | 120.0° | 120.0° |
| C52 | C53 | H532 | H531 | 120.0° | 120.0° |
| C52 | O5 | C5 | C6 | 150.6° | 150.6° |
| C52 | O5 | C5 | C4 | 89.5° | 89.5° |
| C52 | O5 | C5 | H05 | 30.4° | 30.4° |
| O5 | C52 | C53 | H533 | 179.6° | 179.6° |
| O5 | C52 | C53 | H532 | 59.6° | 59.6° |
| O5 | C52 | C53 | H531 | 60.4° | 60.4° |
| O5 | C5 | C6 | C4 | 119.2° | 119.2° |
| O5 | C5 | C6 | H05 | 121.1° | 121.1° |
| O5 | C5 | C4 | H05 | 120.7° | 120.7° |
| O5 | C5 | C6 | C7 | 67.3° | 67.3° |
| O5 | C5 | C4 | C3 | 70.1° | 70.1° |
| O5 | C5 | C4 | H041 | 169.4° | 169.4° |
| O5 | C5 | C4 | H042 | 50.4° | 50.4° |
| O5 | C5 | C6 | H062 | 52.8° | 52.8° |
| O5 | C5 | C6 | H061 | 172.6° | 172.6° |
| C6 | C5 | C4 | H05 | 119.6° | 119.6° |
| C5 | C6 | C7 | H062 | 120.1° | 120.1° |
| C5 | C6 | C7 | H061 | 120.1° | 120.1° |
| C6 | C5 | C4 | C3 | 49.6° | 49.6° |
| C5 | C6 | C7 | O11 | 62.1° | 62.1° |
| C5 | C6 | C7 | C8 | 176.8° | 176.8° |
| C5 | C6 | C7 | O7 | 58.1° | 58.1° |
| C6 | C5 | C4 | H041 | 70.8° | 70.8° |
| C6 | C5 | C4 | H042 | 170.1° | 170.1° |
| C5 | C6 | H062 | H061 | 119.7° | 119.7° |
| C4 | C5 | C6 | C7 | 51.9° | 51.9° |
| C5 | C4 | C3 | H041 | 120.5° | 120.5° |
| C5 | C4 | C3 | H042 | 120.5° | 120.5° |
| C5 | C4 | C3 | O7 | 52.5° | 52.5° |
| C5 | C4 | C3 | C2 | 170.9° | 170.9° |
| C5 | C4 | H041 | H042 | 118.5° | 118.5° |
| C4 | C5 | C6 | H062 | 172.0° | 172.0° |
| C4 | C5 | C6 | H061 | 68.2° | 68.2° |
| C5 | C4 | C3 | H03 | 69.9° | 69.9° |
| C6 | C7 | O11 | C8 | 121.4° | 121.4° |
| C6 | C7 | O11 | O7 | 119.9° | 119.9° |
| C6 | C7 | C8 | O7 | 119.2° | 119.2° |
| C6 | C7 | O11 | C11 | 178.2° | 178.2° |
| C6 | C7 | C8 | C9 | 176.3° | 176.3° |
| C6 | C7 | O7 | C3 | 63.8° | 63.8° |
| C7 | C6 | C5 | H05 | 171.6° | 171.6° |
| C7 | C6 | H062 | H061 | 119.8° | 119.8° |
| C6 | C7 | C8 | H081 | 56.4° | 56.4° |
| C6 | C7 | C8 | H082 | 63.8° | 63.8° |
| C4 | C3 | O7 | C7 | 60.4° | 60.4° |
| C4 | C3 | O7 | C2 | 117.9° | 117.9° |
| C4 | C3 | O7 | H03 | 121.5° | 121.5° |
| C4 | C3 | C2 | H03 | 119.2° | 119.2° |
| C4 | C3 | C2 | C1 | 165.4° | 165.4° |
| C3 | C4 | H041 | H042 | 118.5° | 118.5° |
| C3 | C4 | C5 | H05 | 169.2° | 169.2° |
| C4 | C3 | C2 | H022 | 74.1° | 74.1° |
| C4 | C3 | C2 | H021 | 44.9° | 44.9° |
| O11 | C7 | C8 | O7 | 119.5° | 119.5° |
| O11 | C7 | C8 | C9 | 55.0° | 55.0° |
| O11 | C7 | O7 | C3 | 56.7° | 56.7° |
| C7 | O11 | C11 | C12 | 178.6° | 178.6° |
| C7 | O11 | C11 | C10 | 54.3° | 54.3° |
| O11 | C7 | C6 | H062 | 57.9° | 57.9° |
| O11 | C7 | C6 | H061 | 177.8° | 177.8° |
| O11 | C7 | C8 | H081 | 64.9° | 64.9° |
| O11 | C7 | C8 | H082 | 174.9° | 174.9° |
| C7 | O11 | C11 | H11 | 64.6° | 64.6° |
| C8 | C7 | O11 | C11 | 56.8° | 56.8° |
| C7 | C8 | C9 | H081 | 119.9° | 119.9° |
| C7 | C8 | C9 | H082 | 119.9° | 119.9° |
| C8 | C7 | O7 | C3 | 176.2° | 176.2° |
| C7 | C8 | C9 | C10 | 56.8° | 56.8° |
| C7 | C8 | C9 | C54 | 174.3° | 174.3° |
| C7 | C8 | C9 | O9 | 66.8° | 66.8° |
| C8 | C7 | C6 | H062 | 63.1° | 63.1° |
| C8 | C7 | C6 | H061 | 56.7° | 56.7° |
| C7 | C8 | H081 | H082 | 120.3° | 120.3° |
| O7 | C7 | O11 | C11 | 61.9° | 61.9° |
| O7 | C7 | C8 | C9 | 64.5° | 64.5° |
| C7 | O7 | C3 | C2 | 178.3° | 178.3° |
| O7 | C7 | C6 | H062 | 178.2° | 178.2° |
| O7 | C7 | C6 | H061 | 62.0° | 62.0° |
| O7 | C7 | C8 | H081 | 175.6° | 175.6° |
| O7 | C7 | C8 | H082 | 55.4° | 55.4° |
| C7 | O7 | C3 | H03 | 61.1° | 61.1° |
| O11 | C11 | C12 | C10 | 121.5° | 121.5° |
| O11 | C11 | C12 | H11 | 117.9° | 117.9° |
| O11 | C11 | C12 | C13 | 169.7° | 169.7° |
| O11 | C11 | C10 | H11 | 119.7° | 119.7° |
| O11 | C11 | C10 | C9 | 51.0° | 51.0° |
| O11 | C11 | C10 | H101 | 171.2° | 171.2° |
| O11 | C11 | C10 | H102 | 69.2° | 69.2° |
| O11 | C11 | C12 | H121 | 48.9° | 48.9° |
| O11 | C11 | C12 | H122 | 69.5° | 69.5° |
| C8 | C9 | C10 | C11 | 55.3° | 55.3° |
| C8 | C9 | C10 | C54 | 118.7° | 118.7° |
| C8 | C9 | C10 | O9 | 122.3° | 122.3° |
| C8 | C9 | C54 | O9 | 119.3° | 119.3° |
| C9 | C8 | H081 | H082 | 120.2° | 120.2° |
| C8 | C9 | C10 | H101 | 175.5° | 175.5° |
| C8 | C9 | C10 | H102 | 64.9° | 64.9° |
| C8 | C9 | C54 | H543 | 180.0° | 180.0° |
| C8 | C9 | C54 | H541 | 60.0° | 60.0° |
| C8 | C9 | C54 | H542 | 60.0° | 60.0° |
| C8 | C9 | O9 | H09 | 180.0° | 180.0° |
| O7 | C3 | C2 | H03 | 121.6° | 121.6° |
| O7 | C3 | C2 | C1 | 75.4° | 75.4° |
| O7 | C3 | C4 | H041 | 67.9° | 67.9° |
| O7 | C3 | C4 | H042 | 173.0° | 173.0° |
| O7 | C3 | C2 | H022 | 45.1° | 45.1° |
| O7 | C3 | C2 | H021 | 164.1° | 164.1° |
| C3 | C2 | C1 | H022 | 120.5° | 120.5° |
| C3 | C2 | C1 | H021 | 120.5° | 120.5° |
| C3 | C2 | C1 | O1 | 11.7° | 11.7° |
| C3 | C2 | C1 | O41 | 168.1° | 168.1° |
| C2 | C3 | C4 | H041 | 50.5° | 50.5° |
| C2 | C3 | C4 | H042 | 68.6° | 68.6° |
| C3 | C2 | H022 | H021 | 118.4° | 118.4° |
| C11 | C12 | C13 | H121 | 120.8° | 120.8° |
| C11 | C12 | C13 | H122 | 120.8° | 120.8° |
| C12 | C11 | C10 | H11 | 120.5° | 120.5° |
| C12 | C11 | C10 | C9 | 170.7° | 170.7° |
| C11 | C12 | C13 | C55 | 110.9° | 110.9° |
| C11 | C12 | C13 | C14 | 65.8° | 65.8° |
| C12 | C11 | C10 | H101 | 69.1° | 69.1° |
| C12 | C11 | C10 | H102 | 50.5° | 50.5° |
| C11 | C12 | H121 | H122 | 117.5° | 117.5° |
| C13 | C12 | C11 | C10 | 68.8° | 68.8° |
| C12 | C13 | C55 | C14 | 176.4° | 176.4° |
| C12 | C13 | C14 | C56 | 47.2° | 47.2° |
| C12 | C13 | C14 | C15 | 174.8° | 174.8° |
| C13 | C12 | C11 | H11 | 51.8° | 51.8° |
| C13 | C12 | H121 | H122 | 117.5° | 117.5° |
| C12 | C13 | C14 | H14 | 72.2° | 72.2° |
| C12 | C13 | C55 | H551 | 176.4° | 176.4° |
| C12 | C13 | C55 | H552 | 3.6° | 3.6° |
| C11 | C10 | C9 | H101 | 120.2° | 120.2° |
| C11 | C10 | C9 | H102 | 120.2° | 120.2° |
| C11 | C10 | C9 | C54 | 174.0° | 174.0° |
| C11 | C10 | C9 | O9 | 67.0° | 67.0° |
| C11 | C10 | H101 | H102 | 119.4° | 119.4° |
| C10 | C11 | C12 | H121 | 170.4° | 170.4° |
| C10 | C11 | C12 | H122 | 52.0° | 52.0° |
| C2 | C1 | O1 | O41 | 179.8° | 179.8° |
| C2 | C1 | O41 | C41 | 175.6° | 175.6° |
| C1 | C2 | H022 | H021 | 118.4° | 118.4° |
| C1 | C2 | C3 | H03 | 46.2° | 46.2° |
| C10 | C9 | C54 | O9 | 121.0° | 121.0° |
| C10 | C9 | C8 | H081 | 63.1° | 63.1° |
| C10 | C9 | C8 | H082 | 176.7° | 176.7° |
| C9 | C10 | H101 | H102 | 119.4° | 119.4° |
| C9 | C10 | C11 | H11 | 68.8° | 68.8° |
| C10 | C9 | C54 | H543 | 60.3° | 60.3° |
| C10 | C9 | C54 | H541 | 59.7° | 59.7° |
| C10 | C9 | C54 | H542 | 179.7° | 179.7° |
| C10 | C9 | O9 | H09 | 57.1° | 57.1° |
| C54 | C9 | C8 | H081 | 54.4° | 54.4° |
| C54 | C9 | C8 | H082 | 65.8° | 65.8° |
| C54 | C9 | C10 | H101 | 65.8° | 65.8° |
| C54 | C9 | C10 | H102 | 53.8° | 53.8° |
| C9 | C54 | H543 | H541 | 120.0° | 120.0° |
| C9 | C54 | H543 | H542 | 120.0° | 120.0° |
| C9 | C54 | H541 | H542 | 120.0° | 120.0° |
| C54 | C9 | O9 | H09 | 61.0° | 61.0° |
| O9 | C9 | C8 | H081 | 173.2° | 173.2° |
| O9 | C9 | C8 | H082 | 53.1° | 53.1° |
| O9 | C9 | C10 | H101 | 53.2° | 53.2° |
| O9 | C9 | C10 | H102 | 172.8° | 172.8° |
| O9 | C9 | C54 | H543 | 60.7° | 60.7° |
| O9 | C9 | C54 | H541 | 179.3° | 179.3° |
| O9 | C9 | C54 | H542 | 59.3° | 59.3° |
| C55 | C13 | C14 | C56 | 136.1° | 136.1° |
| C55 | C13 | C14 | C15 | 8.6° | 8.6° |
| C55 | C13 | C12 | H121 | 128.3° | 128.3° |
| C55 | C13 | C12 | H122 | 10.0° | 10.0° |
| C55 | C13 | C14 | H14 | 104.4° | 104.4° |
| C13 | C55 | H551 | H552 | 180.0° | 180.0° |
| C13 | C14 | C56 | C15 | 124.8° | 124.8° |
| C13 | C14 | C56 | H14 | 119.6° | 119.6° |
| C13 | C14 | C15 | H14 | 113.3° | 113.3° |
| C13 | C14 | C15 | O15 | 56.4° | 56.4° |
| C13 | C14 | C15 | C16 | 178.8° | 178.8° |
| C13 | C14 | C15 | H15 | 59.9° | 59.9° |
| C14 | C13 | C12 | H121 | 55.0° | 55.0° |
| C14 | C13 | C12 | H122 | 173.4° | 173.4° |
| C14 | C13 | C55 | H551 | 0.0° | 0.0° |
| C14 | C13 | C55 | H552 | 180.0° | 180.0° |
| C13 | C14 | C56 | H563 | 180.0° | 180.0° |
| C13 | C14 | C56 | H562 | 60.0° | 60.0° |
| C13 | C14 | C56 | H561 | 60.0° | 60.0° |
| C56 | C14 | C15 | H14 | 115.7° | 115.7° |
| C56 | C14 | C15 | O15 | 74.5° | 74.5° |
| C56 | C14 | C15 | C16 | 50.2° | 50.2° |
| C56 | C14 | C15 | H15 | 169.2° | 169.2° |
| C14 | C56 | H563 | H562 | 120.0° | 120.0° |
| C14 | C56 | H563 | H561 | 120.0° | 120.0° |
| C14 | C56 | H562 | H561 | 120.0° | 120.0° |
| O1 | C1 | O41 | C41 | 4.7° | 4.7° |
| O1 | C1 | C2 | H022 | 108.8° | 108.8° |
| O1 | C1 | C2 | H021 | 132.2° | 132.2° |
| C1 | O41 | C41 | C40 | 116.3° | 116.3° |
| C1 | O41 | C41 | C42 | 122.1° | 122.1° |
| O41 | C1 | C2 | H022 | 71.4° | 71.4° |
| O41 | C1 | C2 | H021 | 47.6° | 47.6° |
| C1 | O41 | C41 | H41 | 2.6° | 2.6° |
| C14 | C15 | O15 | C57 | 146.8° | 146.8° |
| C14 | C15 | O15 | C16 | 130.2° | 130.2° |
| C14 | C15 | O15 | H15 | 115.4° | 115.4° |
| C14 | C15 | C16 | H15 | 118.8° | 118.8° |
| C14 | C15 | C16 | C59 | 53.2° | 53.2° |
| C14 | C15 | C16 | C17 | 179.5° | 179.5° |
| C14 | C15 | C16 | H16 | 61.4° | 61.4° |
| C15 | C14 | C56 | H563 | 55.1° | 55.2° |
| C15 | C14 | C56 | H562 | 175.2° | 175.2° |
| C15 | C14 | C56 | H561 | 64.8° | 64.8° |
| O15 | C57 | C58 | O57 | 178.0° | 178.0° |
| C57 | O15 | C15 | C16 | 83.0° | 83.0° |
| C57 | O15 | C15 | H15 | 31.5° | 31.5° |
| O15 | C57 | C58 | H582 | 178.0° | 178.0° |
| O15 | C57 | C58 | H583 | 62.1° | 62.1° |
| O15 | C57 | C58 | H581 | 57.9° | 57.9° |
| C15 | O15 | C57 | C58 | 138.0° | 138.0° |
| C15 | O15 | C57 | O57 | 44.0° | 44.0° |
| O15 | C15 | C16 | H15 | 115.3° | 115.3° |
| O15 | C15 | C16 | C59 | 179.1° | 179.1° |
| O15 | C15 | C16 | C17 | 53.7° | 53.7° |
| O15 | C15 | C14 | H14 | 169.7° | 169.7° |
| O15 | C15 | C16 | H16 | 64.5° | 64.5° |
| O41 | C41 | C40 | C62 | 71.1° | 71.1° |
| O41 | C41 | C40 | C42 | 120.3° | 120.3° |
| O41 | C41 | C40 | H41 | 119.8° | 119.8° |
| O41 | C41 | C42 | H41 | 120.3° | 120.3° |
| O41 | C41 | C40 | C39 | 170.5° | 170.5° |
| O41 | C41 | C42 | O42 | 55.0° | 55.0° |
| O41 | C41 | C42 | C43 | 179.1° | 179.1° |
| O41 | C41 | C40 | H40 | 51.0° | 51.0° |
| O41 | C41 | C42 | H421 | 62.6° | 62.6° |
| C57 | C58 | H582 | H583 | 120.0° | 120.0° |
| C57 | C58 | H582 | H581 | 120.0° | 120.0° |
| C57 | C58 | H583 | H581 | 120.0° | 120.0° |
| O57 | C57 | C58 | H582 | 0.0° | 0.0° |
| O57 | C57 | C58 | H583 | 120.0° | 120.0° |
| O57 | C57 | C58 | H581 | 120.0° | 120.0° |
| C15 | C16 | C59 | C17 | 129.9° | 129.9° |
| C15 | C16 | C59 | H16 | 114.5° | 114.5° |
| C15 | C16 | C17 | H16 | 117.8° | 117.8° |
| C15 | C16 | C17 | C18 | 126.9° | 126.9° |
| C15 | C16 | C17 | O17 | 53.6° | 53.6° |
| C16 | C15 | C14 | H14 | 65.5° | 65.5° |
| C15 | C16 | C59 | H592 | 180.0° | 180.0° |
| C15 | C16 | C59 | H593 | 60.0° | 60.0° |
| C15 | C16 | C59 | H591 | 60.0° | 60.0° |
| C62 | C40 | C41 | C39 | 118.4° | 118.4° |
| C62 | C40 | C41 | H40 | 122.1° | 122.1° |
| C62 | C40 | C41 | C42 | 168.5° | 168.5° |
| C62 | C40 | C39 | H40 | 122.8° | 122.8° |
| C62 | C40 | C39 | C38 | 76.8° | 76.8° |
| C62 | C40 | C39 | O43 | 165.4° | 165.4° |
| C62 | C40 | C39 | H39 | 44.0° | 44.0° |
| C62 | C40 | C41 | H41 | 48.7° | 48.7° |
| C40 | C62 | H621 | H623 | 120.0° | 120.0° |
| C40 | C62 | H621 | H622 | 120.0° | 120.0° |
| C40 | C62 | H623 | H622 | 120.0° | 120.0° |
| C40 | C41 | C42 | H41 | 119.8° | 119.8° |
| C41 | C40 | C39 | H40 | 119.4° | 119.4° |
| C40 | C41 | C42 | O42 | 174.8° | 174.8° |
| C40 | C41 | C42 | C43 | 61.1° | 61.1° |
| C41 | C40 | C39 | C38 | 165.5° | 165.5° |
| C41 | C40 | C39 | O43 | 47.6° | 47.6° |
| C41 | C40 | C39 | H39 | 73.7° | 73.7° |
| C40 | C41 | C42 | H421 | 57.2° | 57.2° |
| C41 | C40 | C62 | H621 | 180.0° | 180.0° |
| C41 | C40 | C62 | H623 | 60.0° | 60.0° |
| C41 | C40 | C62 | H622 | 60.0° | 60.0° |
| C42 | C41 | C40 | C39 | 50.1° | 50.1° |
| C41 | C42 | O42 | C43 | 126.1° | 126.1° |
| C41 | C42 | O42 | H421 | 116.7° | 116.7° |
| C41 | C42 | C43 | H421 | 118.3° | 118.3° |
| C41 | C42 | C43 | O43 | 58.4° | 58.4° |
| C41 | C42 | C43 | C44 | 179.8° | 179.8° |
| C42 | C41 | C40 | H40 | 69.3° | 69.3° |
| C41 | C42 | C43 | H43 | 59.7° | 59.7° |
| C41 | C42 | O42 | H422 | 180.0° | 180.0° |
| C59 | C16 | C17 | H16 | 115.3° | 115.3° |
| C59 | C16 | C17 | C18 | 106.3° | 106.3° |
| C59 | C16 | C17 | O17 | 73.3° | 73.3° |
| C59 | C16 | C15 | H15 | 65.6° | 65.6° |
| C16 | C59 | H592 | H593 | 120.0° | 120.0° |
| C16 | C59 | H592 | H591 | 120.0° | 120.0° |
| C16 | C59 | H593 | H591 | 120.0° | 120.0° |
| C16 | C17 | C18 | O17 | 179.5° | 179.5° |
| C16 | C17 | C18 | C19 | 171.4° | 171.4° |
| C17 | C16 | C15 | H15 | 61.6° | 61.6° |
| C16 | C17 | C18 | H181 | 50.9° | 50.9° |
| C16 | C17 | C18 | H182 | 68.1° | 68.0° |
| C17 | C16 | C59 | H592 | 50.1° | 50.0° |
| C17 | C16 | C59 | H593 | 69.9° | 69.9° |
| C17 | C16 | C59 | H591 | 170.1° | 170.1° |
| C40 | C39 | C38 | O43 | 125.8° | 125.8° |
| C40 | C39 | C38 | H39 | 120.8° | 120.8° |
| C40 | C39 | O43 | H39 | 120.7° | 120.7° |
| C40 | C39 | O43 | C43 | 57.1° | 57.1° |
| C40 | C39 | C38 | O38 | 76.6° | 76.6° |
| C40 | C39 | C38 | C37 | 161.2° | 161.2° |
| C40 | C39 | C38 | H381 | 42.8° | 42.8° |
| C39 | C40 | C41 | H41 | 69.7° | 69.7° |
| C39 | C40 | C62 | H621 | 64.9° | 64.9° |
| C39 | C40 | C62 | H623 | 175.1° | 175.1° |
| C39 | C40 | C62 | H622 | 55.1° | 55.1° |
| O42 | C42 | C43 | H421 | 118.0° | 118.0° |
| O42 | C42 | C43 | O43 | 177.9° | 177.9° |
| O42 | C42 | C43 | C44 | 56.1° | 56.1° |
| O42 | C42 | C41 | H41 | 65.4° | 65.4° |
| O42 | C42 | C43 | H43 | 64.0° | 64.0° |
| C42 | C43 | O43 | C39 | 56.9° | 56.9° |
| C42 | C43 | O43 | C44 | 119.1° | 119.1° |
| C42 | C43 | O43 | H43 | 116.8° | 116.8° |
| C42 | C43 | C44 | H43 | 120.1° | 120.1° |
| C42 | C43 | C44 | C45 | 176.8° | 176.8° |
| C43 | C42 | C41 | H41 | 58.7° | 58.7° |
| C42 | C43 | C44 | H441 | 62.4° | 62.4° |
| C42 | C43 | C44 | H442 | 55.9° | 55.9° |
| C43 | C42 | O42 | H422 | 53.9° | 53.9° |
| C17 | C18 | C19 | H181 | 120.5° | 120.5° |
| C17 | C18 | C19 | H182 | 120.5° | 120.5° |
| C17 | C18 | C19 | C20 | 161.3° | 161.3° |
| C17 | C18 | C19 | O23 | 43.1° | 43.1° |
| C18 | C17 | C16 | H16 | 9.0° | 9.0° |
| C17 | C18 | H181 | H182 | 118.4° | 118.3° |
| C17 | C18 | C19 | H19 | 75.2° | 75.2° |
| O17 | C17 | C18 | C19 | 8.1° | 8.1° |
| O17 | C17 | C16 | H16 | 171.4° | 171.4° |
| O17 | C17 | C18 | H181 | 128.6° | 128.6° |
| O17 | C17 | C18 | H182 | 112.4° | 112.5° |
| C18 | C19 | C20 | O23 | 116.5° | 116.5° |
| C18 | C19 | C20 | H19 | 123.4° | 123.4° |
| C18 | C19 | O23 | H19 | 117.5° | 117.5° |
| C18 | C19 | C20 | C21 | 179.4° | 179.4° |
| C18 | C19 | O23 | C23 | 179.3° | 179.3° |
| C18 | C19 | C20 | H201 | 60.2° | 60.2° |
| C18 | C19 | C20 | H202 | 61.4° | 61.4° |
| C19 | C18 | H181 | H182 | 118.3° | 118.4° |
| C38 | C39 | O43 | H39 | 112.3° | 112.3° |
| C38 | C39 | O43 | C43 | 175.9° | 175.9° |
| C39 | C38 | O38 | C37 | 122.7° | 122.7° |
| C39 | C38 | O38 | H381 | 118.4° | 118.4° |
| C39 | C38 | C37 | H381 | 118.4° | 118.4° |
| C39 | C38 | C37 | O33 | 27.6° | 27.6° |
| C39 | C38 | C37 | C36 | 150.9° | 150.9° |
| C39 | C38 | C37 | O37 | 92.7° | 92.7° |
| C38 | C39 | C40 | H40 | 46.0° | 46.0° |
| C39 | C38 | O38 | H382 | 180.0° | 180.0° |
| C39 | O43 | C43 | C44 | 176.0° | 176.0° |
| O43 | C39 | C38 | O38 | 49.3° | 49.3° |
| O43 | C39 | C38 | C37 | 73.0° | 73.0° |
| O43 | C39 | C38 | H381 | 168.7° | 168.7° |
| O43 | C39 | C40 | H40 | 71.8° | 71.8° |
| C39 | O43 | C43 | H43 | 59.9° | 59.9° |
| O43 | C43 | C44 | H43 | 125.1° | 125.1° |
| O43 | C43 | C44 | C45 | 62.0° | 62.0° |
| C43 | O43 | C39 | H39 | 63.5° | 63.5° |
| O43 | C43 | C42 | H421 | 59.9° | 59.9° |
| O43 | C43 | C44 | H441 | 177.1° | 177.1° |
| O43 | C43 | C44 | H442 | 58.8° | 58.8° |
| C43 | C44 | C45 | H441 | 120.8° | 120.8° |
| C43 | C44 | C45 | H442 | 120.8° | 120.8° |
| C43 | C44 | C45 | C63 | 110.7° | 110.7° |
| C43 | C44 | C45 | C46 | 69.0° | 69.0° |
| C44 | C43 | C42 | H421 | 62.0° | 62.0° |
| C43 | C44 | H441 | H442 | 117.4° | 117.4° |
| O38 | C38 | C37 | H381 | 120.0° | 120.0° |
| O38 | C38 | C37 | O33 | 149.2° | 149.2° |
| O38 | C38 | C37 | C36 | 87.4° | 87.4° |
| O38 | C38 | C37 | O37 | 28.9° | 28.9° |
| O38 | C38 | C39 | H39 | 162.6° | 162.6° |
| C38 | C37 | O33 | C36 | 122.6° | 122.6° |
| C38 | C37 | O33 | O37 | 118.7° | 118.7° |
| C38 | C37 | C36 | O37 | 114.6° | 114.6° |
| C38 | C37 | O33 | C33 | 172.6° | 172.6° |
| C38 | C37 | C36 | C35 | 176.1° | 176.1° |
| C38 | C37 | C36 | H362 | 63.5° | 63.5° |
| C38 | C37 | C36 | H361 | 55.7° | 55.7° |
| C37 | C38 | C39 | H39 | 40.3° | 40.3° |
| C38 | C37 | O37 | H37 | 180.0° | 180.0° |
| C37 | C38 | O38 | H382 | 57.3° | 57.3° |
| C20 | C19 | O23 | H19 | 119.4° | 119.4° |
| C19 | C20 | C21 | H201 | 119.2° | 119.2° |
| C19 | C20 | C21 | H202 | 119.2° | 119.2° |
| C20 | C19 | O23 | C23 | 57.7° | 57.7° |
| C19 | C20 | C21 | O21 | 166.4° | 166.4° |
| C19 | C20 | C21 | C22 | 66.8° | 66.8° |
| C19 | C20 | H201 | H202 | 122.4° | 122.4° |
| C19 | C20 | C21 | H21 | 49.4° | 49.4° |
| C20 | C19 | C18 | H181 | 40.8° | 40.8° |
| C20 | C19 | C18 | H182 | 78.1° | 78.2° |
| O23 | C19 | C20 | C21 | 62.9° | 62.9° |
| C19 | O23 | C23 | C24 | 70.8° | 70.8° |
| C19 | O23 | C23 | C22 | 47.4° | 47.4° |
| C19 | O23 | C23 | O27 | 167.2° | 167.2° |
| O23 | C19 | C20 | H201 | 56.2° | 56.2° |
| O23 | C19 | C20 | H202 | 177.9° | 177.9° |
| O23 | C19 | C18 | H181 | 77.4° | 77.4° |
| O23 | C19 | C18 | H182 | 163.6° | 163.6° |
| C51 | C50 | C49 | CL1 | 180.0° | 180.0° |
| C51 | C50 | C49 | C48 | 179.9° | 179.9° |
| C51 | C50 | C49 | H49 | 0.0° | 0.0° |
| C50 | C51 | H511 | H512 | 180.0° | 180.0° |
| O25 | C25 | C24 | C26 | 123.5° | 123.5° |
| O25 | C25 | C24 | H25 | 117.6° | 117.6° |
| O25 | C25 | C26 | H25 | 116.8° | 116.8° |
| O25 | C25 | C24 | C23 | 80.3° | 80.3° |
| O25 | C25 | C26 | C27 | 82.3° | 82.3° |
| O25 | C25 | C24 | H241 | 40.0° | 40.0° |
| O25 | C25 | C24 | H242 | 159.4° | 159.4° |
| O25 | C25 | C26 | H262 | 157.0° | 157.0° |
| O25 | C25 | C26 | H261 | 38.3° | 38.3° |
| C44 | C45 | C63 | C46 | 179.7° | 179.7° |
| C44 | C45 | C46 | C47 | 35.1° | 35.1° |
| C45 | C44 | C43 | H43 | 63.1° | 63.1° |
| C45 | C44 | H441 | H442 | 117.4° | 117.4° |
| C44 | C45 | C46 | H461 | 155.6° | 155.6° |
| C44 | C45 | C46 | H462 | 85.3° | 85.3° |
| C44 | C45 | C63 | H631 | 179.8° | 179.8° |
| C44 | C45 | C63 | H632 | 0.3° | 0.3° |
| C20 | C21 | O21 | C22 | 124.6° | 124.6° |
| C20 | C21 | O21 | H21 | 116.2° | 116.2° |
| C20 | C21 | C22 | H21 | 116.3° | 116.3° |
| C20 | C21 | O21 | C60 | 179.5° | 179.5° |
| C20 | C21 | C22 | C23 | 57.5° | 57.5° |
| C21 | C20 | H201 | H202 | 122.4° | 122.4° |
| C20 | C21 | C22 | H222 | 62.4° | 62.4° |
| C20 | C21 | C22 | H221 | 177.5° | 177.5° |
| C21 | C20 | C19 | H19 | 57.2° | 57.2° |
| O23 | C23 | C22 | C21 | 44.0° | 44.0° |
| O23 | C23 | C24 | C25 | 72.3° | 72.3° |
| O23 | C23 | C24 | C22 | 120.4° | 120.4° |
| O23 | C23 | C24 | O27 | 121.8° | 121.8° |
| O23 | C23 | C22 | O27 | 121.7° | 121.7° |
| O23 | C23 | O27 | C27 | 60.8° | 60.8° |
| O23 | C23 | C22 | H222 | 75.9° | 75.9° |
| O23 | C23 | C22 | H221 | 164.0° | 164.0° |
| O23 | C23 | C24 | H241 | 48.0° | 48.0° |
| O23 | C23 | C24 | H242 | 167.4° | 167.4° |
| C23 | O23 | C19 | H19 | 61.8° | 61.8° |
| O33 | C37 | C36 | O37 | 118.8° | 118.8° |
| O33 | C37 | C36 | C35 | 49.6° | 49.6° |
| C37 | O33 | C33 | C32 | 174.2° | 174.2° |
| C37 | O33 | C33 | C34 | 52.3° | 52.3° |
| C37 | O33 | C33 | H33 | 68.1° | 68.1° |
| O33 | C37 | C36 | H362 | 170.0° | 170.0° |
| O33 | C37 | C36 | H361 | 70.8° | 70.8° |
| O33 | C37 | C38 | H381 | 90.8° | 90.8° |
| O33 | C37 | O37 | H37 | 55.6° | 55.6° |
| C36 | C37 | O33 | C33 | 50.0° | 50.0° |
| C37 | C36 | C35 | H362 | 120.4° | 120.4° |
| C37 | C36 | C35 | H361 | 120.4° | 120.4° |
| C37 | C36 | C35 | C34 | 55.6° | 55.6° |
| C37 | C36 | C35 | O35 | 64.1° | 64.1° |
| C37 | C36 | C35 | H351 | 175.2° | 175.2° |
| C37 | C36 | H362 | H361 | 118.8° | 118.8° |
| C36 | C37 | C38 | H381 | 32.5° | 32.5° |
| C36 | C37 | O37 | H37 | 63.8° | 63.8° |
| O37 | C37 | O33 | C33 | 68.7° | 68.7° |
| O37 | C37 | C36 | C35 | 69.2° | 69.2° |
| O37 | C37 | C36 | H362 | 51.2° | 51.2° |
| O37 | C37 | C36 | H361 | 170.4° | 170.4° |
| O37 | C37 | C38 | H381 | 148.9° | 148.9° |
| C50 | C49 | C48 | H49 | 180.0° | 180.0° |
| C50 | C49 | C48 | C47 | 160.6° | 160.6° |
| C50 | C49 | C48 | H48 | 19.4° | 19.4° |
| C49 | C50 | C51 | H511 | 180.0° | 180.0° |
| C49 | C50 | C51 | H512 | 0.0° | 0.0° |
| C48 | C49 | C50 | CL1 | 0.0° | 0.0° |
| C49 | C48 | C47 | H48 | 180.0° | 180.0° |
| C49 | C48 | C47 | C46 | 121.5° | 121.5° |
| C49 | C48 | C47 | O47 | 116.4° | 116.4° |
| C49 | C48 | C47 | H471 | 4.2° | 4.2° |
| CL1 | C50 | C49 | H49 | 180.0° | 180.0° |
| CL1 | C50 | C51 | H511 | 0.0° | 0.0° |
| CL1 | C50 | C51 | H512 | 180.0° | 180.0° |
| O33 | C33 | C34 | C61 | 71.0° | 71.0° |
| O33 | C33 | C32 | C31 | 62.5° | 62.5° |
| O33 | C33 | C32 | C34 | 122.6° | 122.6° |
| O33 | C33 | C32 | H33 | 118.6° | 118.6° |
| O33 | C33 | C34 | H33 | 121.2° | 121.2° |
| O33 | C33 | C34 | C35 | 51.7° | 51.7° |
| O33 | C33 | C32 | H321 | 57.6° | 57.6° |
| O33 | C33 | C32 | H322 | 177.4° | 177.4° |
| O33 | C33 | C34 | H34 | 170.1° | 170.1° |
| C36 | C35 | C34 | C61 | 65.8° | 65.8° |
| C36 | C35 | C34 | C33 | 55.1° | 55.1° |
| C36 | C35 | C34 | O35 | 121.2° | 121.2° |
| C36 | C35 | C34 | H351 | 119.5° | 119.5° |
| C36 | C35 | O35 | H351 | 119.8° | 119.8° |
| C36 | C35 | C34 | H34 | 173.4° | 173.4° |
| C35 | C36 | H362 | H361 | 118.8° | 118.8° |
| C36 | C35 | O35 | H352 | 180.0° | 180.0° |
| O21 | C21 | C22 | H21 | 120.0° | 120.0° |
| O21 | C21 | C22 | C23 | 178.7° | 178.7° |
| O21 | C21 | C20 | H201 | 74.4° | 74.4° |
| O21 | C21 | C20 | H202 | 47.2° | 47.2° |
| O21 | C21 | C22 | H222 | 61.3° | 61.3° |
| O21 | C21 | C22 | H221 | 58.8° | 58.8° |
| C21 | O21 | C60 | H601 | 180.0° | 180.0° |
| C21 | O21 | C60 | H602 | 60.0° | 60.0° |
| C21 | O21 | C60 | H603 | 60.0° | 60.0° |
| C21 | C22 | C23 | C24 | 74.3° | 74.3° |
| C22 | C21 | O21 | C60 | 54.9° | 54.9° |
| C21 | C22 | C23 | H222 | 120.0° | 120.0° |
| C21 | C22 | C23 | H221 | 120.0° | 120.0° |
| C21 | C22 | C23 | O27 | 165.7° | 165.7° |
| C22 | C21 | C20 | H201 | 52.4° | 52.4° |
| C22 | C21 | C20 | H202 | 174.0° | 174.0° |
| C21 | C22 | H222 | H221 | 120.1° | 120.1° |
| C24 | C25 | C26 | H25 | 118.9° | 118.9° |
| C25 | C24 | C23 | H241 | 120.3° | 120.3° |
| C25 | C24 | C23 | H242 | 120.3° | 120.3° |
| C25 | C24 | C23 | C22 | 167.3° | 167.3° |
| C25 | C24 | C23 | O27 | 49.4° | 49.4° |
| C24 | C25 | C26 | C27 | 42.0° | 42.0° |
| C25 | C24 | H241 | H242 | 119.0° | 119.0° |
| C24 | C25 | C26 | H262 | 78.7° | 78.7° |
| C24 | C25 | C26 | H261 | 162.6° | 162.6° |
| C24 | C25 | O25 | H025 | 54.9° | 54.9° |
| C26 | C25 | C24 | C23 | 43.1° | 43.1° |
| C25 | C26 | C27 | H262 | 120.6° | 120.6° |
| C25 | C26 | C27 | H261 | 120.6° | 120.6° |
| C25 | C26 | C27 | O27 | 45.8° | 45.8° |
| C25 | C26 | C27 | C28 | 169.1° | 169.1° |
| C26 | C25 | C24 | H241 | 163.5° | 163.5° |
| C26 | C25 | C24 | H242 | 77.2° | 77.2° |
| C25 | C26 | H262 | H261 | 118.0° | 118.0° |
| C25 | C26 | C27 | H27 | 73.5° | 73.5° |
| C26 | C25 | O25 | H025 | 72.1° | 72.1° |
| C61 | C34 | C33 | C32 | 49.0° | 49.0° |
| C61 | C34 | C33 | C35 | 122.6° | 122.6° |
| C61 | C34 | C33 | H34 | 118.9° | 119.0° |
| C61 | C34 | C35 | H34 | 120.7° | 120.8° |
| C61 | C34 | C35 | O35 | 172.9° | 172.9° |
| C61 | C34 | C33 | H33 | 167.9° | 167.9° |
| C61 | C34 | C35 | H351 | 53.7° | 53.7° |
| C34 | C61 | H612 | H613 | 120.0° | 120.0° |
| C34 | C61 | H612 | H611 | 120.0° | 120.0° |
| C34 | C61 | H613 | H611 | 120.0° | 120.0° |
| C63 | C45 | C46 | C47 | 145.1° | 145.1° |
| C63 | C45 | C44 | H441 | 128.5° | 128.5° |
| C63 | C45 | C44 | H442 | 10.1° | 10.1° |
| C63 | C45 | C46 | H461 | 24.7° | 24.7° |
| C63 | C45 | C46 | H462 | 94.4° | 94.4° |
| C45 | C63 | H631 | H632 | 180.0° | 180.0° |
| C45 | C46 | C47 | C48 | 65.0° | 65.0° |
| C45 | C46 | C47 | H461 | 120.4° | 120.4° |
| C45 | C46 | C47 | H462 | 120.4° | 120.4° |
| C45 | C46 | C47 | O47 | 170.4° | 170.4° |
| C46 | C45 | C44 | H441 | 51.8° | 51.8° |
| C46 | C45 | C44 | H442 | 170.1° | 170.1° |
| C45 | C46 | H461 | H462 | 118.6° | 118.6° |
| C45 | C46 | C47 | H471 | 52.5° | 52.5° |
| C46 | C45 | C63 | H631 | 0.0° | 0.0° |
| C46 | C45 | C63 | H632 | 180.0° | 180.0° |
| C24 | C23 | C22 | O27 | 120.0° | 120.0° |
| C24 | C23 | O27 | C27 | 59.3° | 59.3° |
| C24 | C23 | C22 | H222 | 165.8° | 165.8° |
| C24 | C23 | C22 | H221 | 45.7° | 45.7° |
| C23 | C24 | H241 | H242 | 119.1° | 119.1° |
| C23 | C24 | C25 | H25 | 162.1° | 162.1° |
| C48 | C47 | C46 | O47 | 124.7° | 124.7° |
| C48 | C47 | C46 | H471 | 117.5° | 117.5° |
| C48 | C47 | O47 | H471 | 119.9° | 119.9° |
| C48 | C47 | C46 | H461 | 55.5° | 55.5° |
| C48 | C47 | C46 | H462 | 174.6° | 174.6° |
| C47 | C48 | C49 | H49 | 19.4° | 19.4° |
| C48 | C47 | O47 | H472 | 180.0° | 180.0° |
| C46 | C47 | O47 | H471 | 116.9° | 116.9° |
| C47 | C46 | H461 | H462 | 118.7° | 118.7° |
| C46 | C47 | C48 | H48 | 58.5° | 58.5° |
| C46 | C47 | O47 | H472 | 56.7° | 56.7° |
| O47 | C47 | C46 | H461 | 69.2° | 69.2° |
| O47 | C47 | C46 | H462 | 49.9° | 49.9° |
| O47 | C47 | C48 | H48 | 63.6° | 63.6° |
| C60 | O21 | C21 | H21 | 64.3° | 64.3° |
| O21 | C60 | H601 | H602 | 120.0° | 120.0° |
| O21 | C60 | H601 | H603 | 120.0° | 120.0° |
| O21 | C60 | H602 | H603 | 120.0° | 120.0° |
| C22 | C23 | O27 | C27 | 177.2° | 177.2° |
| C23 | C22 | C21 | H21 | 58.8° | 58.8° |
| C23 | C22 | H222 | H221 | 120.1° | 120.1° |
| C22 | C23 | C24 | H241 | 72.4° | 72.4° |
| C22 | C23 | C24 | H242 | 47.0° | 47.0° |
| C23 | O27 | C27 | C26 | 56.4° | 56.4° |
| C23 | O27 | C27 | C28 | 177.5° | 177.5° |
| O27 | C23 | C22 | H222 | 45.7° | 45.7° |
| O27 | C23 | C22 | H221 | 74.3° | 74.3° |
| O27 | C23 | C24 | H241 | 169.8° | 169.8° |
| O27 | C23 | C24 | H242 | 70.9° | 70.9° |
| C23 | O27 | C27 | H27 | 62.1° | 62.1° |
| C31 | C30 | C29 | H302 | 120.5° | 120.5° |
| C31 | C30 | C29 | H301 | 120.5° | 120.5° |
| C30 | C31 | C32 | H311 | 120.6° | 120.6° |
| C30 | C31 | C32 | H312 | 120.6° | 120.6° |
| C30 | C31 | C32 | C33 | 177.6° | 177.6° |
| C31 | C30 | C29 | C28 | 106.8° | 106.8° |
| C31 | C30 | C29 | H29 | 73.2° | 73.2° |
| C31 | C30 | H302 | H301 | 118.6° | 118.6° |
| C30 | C31 | H311 | H312 | 118.2° | 118.1° |
| C30 | C31 | C32 | H321 | 62.4° | 62.4° |
| C30 | C31 | C32 | H322 | 57.5° | 57.5° |
| C29 | C30 | C31 | C32 | 69.1° | 69.1° |
| C30 | C29 | C28 | C27 | 1.1° | 1.1° |
| C30 | C29 | C28 | H29 | 180.0° | 180.0° |
| C30 | C29 | C28 | H28 | 178.8° | 178.8° |
| C29 | C30 | H302 | H301 | 118.6° | 118.6° |
| C29 | C30 | C31 | H311 | 51.5° | 51.6° |
| C29 | C30 | C31 | H312 | 170.4° | 170.4° |
| C31 | C32 | C33 | H321 | 120.0° | 120.0° |
| C31 | C32 | C33 | H322 | 120.1° | 120.1° |
| C31 | C32 | C33 | C34 | 174.9° | 174.9° |
| C32 | C31 | C30 | H302 | 51.4° | 51.4° |
| C32 | C31 | C30 | H301 | 170.5° | 170.5° |
| C32 | C31 | H311 | H312 | 118.1° | 118.1° |
| C31 | C32 | H321 | H322 | 119.8° | 119.8° |
| C31 | C32 | C33 | H33 | 56.1° | 56.1° |
| C32 | C33 | C34 | H33 | 118.9° | 118.9° |
| C32 | C33 | C34 | C35 | 171.6° | 171.6° |
| C33 | C32 | C31 | H311 | 56.9° | 57.0° |
| C33 | C32 | C31 | H312 | 61.8° | 61.8° |
| C33 | C32 | H321 | H322 | 119.8° | 119.8° |
| C32 | C33 | C34 | H34 | 69.9° | 70.0° |
| C33 | C34 | C35 | H34 | 118.4° | 118.3° |
| C33 | C34 | C35 | O35 | 66.2° | 66.2° |
| C34 | C33 | C32 | H321 | 65.0° | 65.0° |
| C34 | C33 | C32 | H322 | 54.9° | 54.9° |
| C33 | C34 | C35 | H351 | 174.6° | 174.6° |
| C33 | C34 | C61 | H612 | 180.0° | 180.0° |
| C33 | C34 | C61 | H613 | 60.0° | 60.0° |
| C33 | C34 | C61 | H611 | 60.0° | 60.0° |
| C26 | C27 | O27 | C28 | 121.1° | 121.1° |
| C26 | C27 | O27 | H27 | 118.5° | 118.5° |
| C26 | C27 | C28 | H27 | 117.2° | 117.2° |
| C26 | C27 | C28 | C29 | 124.9° | 124.9° |
| C27 | C26 | H262 | H261 | 118.0° | 118.0° |
| C26 | C27 | C28 | H28 | 55.1° | 55.1° |
| C27 | C26 | C25 | H25 | 160.9° | 160.9° |
| C34 | C35 | O35 | H351 | 118.3° | 118.3° |
| C35 | C34 | C33 | H33 | 69.5° | 69.5° |
| C34 | C35 | C36 | H362 | 176.0° | 176.0° |
| C34 | C35 | C36 | H361 | 64.8° | 64.8° |
| C35 | C34 | C61 | H612 | 59.6° | 59.6° |
| C35 | C34 | C61 | H613 | 60.5° | 60.5° |
| C35 | C34 | C61 | H611 | 179.6° | 179.6° |
| C34 | C35 | O35 | H352 | 58.1° | 58.1° |
| O35 | C35 | C34 | H34 | 52.2° | 52.2° |
| O35 | C35 | C36 | H362 | 56.3° | 56.3° |
| O35 | C35 | C36 | H361 | 175.5° | 175.5° |
| O27 | C27 | C28 | H27 | 120.9° | 120.9° |
| O27 | C27 | C28 | C29 | 113.3° | 113.3° |
| O27 | C27 | C26 | H262 | 74.9° | 74.9° |
| O27 | C27 | C26 | H261 | 166.4° | 166.4° |
| O27 | C27 | C28 | H28 | 66.8° | 66.8° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C28 | C27 | C26 | H262 | 48.5° | 48.5° |
| C28 | C27 | C26 | H261 | 70.3° | 70.3° |
| C27 | C28 | C29 | H29 | 178.9° | 178.9° |
| C29 | C28 | C27 | H27 | 7.7° | 7.7° |
| C28 | C29 | C30 | H302 | 13.7° | 13.7° |
| C28 | C29 | C30 | H301 | 132.8° | 132.8° |
| H041 | C4 | C5 | H05 | 48.7° | 48.7° |
| H041 | C4 | C3 | H03 | 169.6° | 169.6° |
| H042 | C4 | C5 | H05 | 70.3° | 70.3° |
| H042 | C4 | C3 | H03 | 50.5° | 50.5° |
| H05 | C5 | C6 | H062 | 68.3° | 68.3° |
| H05 | C5 | C6 | H061 | 51.5° | 51.5° |
| H101 | C10 | C11 | H11 | 51.4° | 51.4° |
| H102 | C10 | C11 | H11 | 171.0° | 171.0° |
| H15 | C15 | C14 | H14 | 53.5° | 53.5° |
| H15 | C15 | C16 | H16 | 179.7° | 179.7° |
| H201 | C20 | C21 | H21 | 168.6° | 168.6° |
| H201 | C20 | C19 | H19 | 176.4° | 176.4° |
| H202 | C20 | C21 | H21 | 69.8° | 69.8° |
| H202 | C20 | C19 | H19 | 62.0° | 62.0° |
| H21 | C21 | C22 | H222 | 178.7° | 178.7° |
| H21 | C21 | C22 | H221 | 61.2° | 61.2° |
| H241 | C24 | C25 | H25 | 77.6° | 77.6° |
| H242 | C24 | C25 | H25 | 41.8° | 41.8° |
| H262 | C26 | C25 | H25 | 40.2° | 40.2° |
| H262 | C26 | C27 | H27 | 165.9° | 165.9° |
| H261 | C26 | C25 | H25 | 78.5° | 78.5° |
| H261 | C26 | C27 | H27 | 47.2° | 47.2° |
| H28 | C28 | C27 | H27 | 172.3° | 172.3° |
| H28 | C28 | C29 | H29 | 1.2° | 1.2° |
| H11 | C11 | C12 | H121 | 69.0° | 69.0° |
| H11 | C11 | C12 | H122 | 172.7° | 172.7° |
| H14 | C14 | C56 | H563 | 60.4° | 60.4° |
| H14 | C14 | C56 | H562 | 59.6° | 59.6° |
| H14 | C14 | C56 | H561 | 179.6° | 179.6° |
| H16 | C16 | C59 | H592 | 65.5° | 65.5° |
| H16 | C16 | C59 | H593 | 174.5° | 174.5° |
| H16 | C16 | C59 | H591 | 54.5° | 54.5° |
| H181 | C18 | C19 | H19 | 164.2° | 164.2° |
| H182 | C18 | C19 | H19 | 45.3° | 45.3° |
| H022 | C2 | C3 | H03 | 166.7° | 166.7° |
| H021 | C2 | C3 | H03 | 74.3° | 74.3° |
| H25 | C25 | O25 | H025 | 171.9° | 171.9° |
| H29 | C29 | C30 | H302 | 166.3° | 166.3° |
| H29 | C29 | C30 | H301 | 47.2° | 47.2° |
| H302 | C30 | C31 | H311 | 172.0° | 172.0° |
| H302 | C30 | C31 | H312 | 69.2° | 69.2° |
| H301 | C30 | C31 | H311 | 68.9° | 68.9° |
| H301 | C30 | C31 | H312 | 49.9° | 49.9° |
| H311 | C31 | C32 | H321 | 177.0° | 177.0° |
| H311 | C31 | C32 | H322 | 63.1° | 63.1° |
| H312 | C31 | C32 | H321 | 58.2° | 58.2° |
| H312 | C31 | C32 | H322 | 178.1° | 178.1° |
| H321 | C32 | C33 | H33 | 176.1° | 176.1° |
| H322 | C32 | C33 | H33 | 64.0° | 64.0° |
| H33 | C33 | C34 | H34 | 48.9° | 48.9° |
| H34 | C34 | C35 | H351 | 67.0° | 67.0° |
| H34 | C34 | C61 | H612 | 61.2° | 61.2° |
| H34 | C34 | C61 | H613 | 178.8° | 178.8° |
| H34 | C34 | C61 | H611 | 58.8° | 58.8° |
| H351 | C35 | C36 | H362 | 64.4° | 64.4° |
| H351 | C35 | C36 | H361 | 54.8° | 54.8° |
| H351 | C35 | O35 | H352 | 60.2° | 60.2° |
| H381 | C38 | C39 | H39 | 78.0° | 78.0° |
| H381 | C38 | O38 | H382 | 61.6° | 61.6° |
| H39 | C39 | C40 | H40 | 166.8° | 166.8° |
| H40 | C40 | C41 | H41 | 170.8° | 170.8° |
| H40 | C40 | C62 | H621 | 57.9° | 57.9° |
| H40 | C40 | C62 | H623 | 62.1° | 62.1° |
| H40 | C40 | C62 | H622 | 177.9° | 177.9° |
| H41 | C41 | C42 | H421 | 177.1° | 177.1° |
| H421 | C42 | C43 | H43 | 178.0° | 178.0° |
| H421 | C42 | O42 | H422 | 63.3° | 63.3° |
| H43 | C43 | C44 | H441 | 57.7° | 57.7° |
| H43 | C43 | C44 | H442 | 176.1° | 176.1° |
| H461 | C46 | C47 | H471 | 173.0° | 173.0° |
| H462 | C46 | C47 | H471 | 67.9° | 67.9° |
| H471 | C47 | C48 | H48 | 175.8° | 175.8° |
| H471 | C47 | O47 | H472 | 60.2° | 60.2° |
| H48 | C48 | C49 | H49 | 160.6° | 160.6° |
| H533 | C53 | H532 | H531 | 120.0° | 120.0° |
| H543 | C54 | H541 | H542 | 120.0° | 120.0° |
| H563 | C56 | H562 | H561 | 120.0° | 120.0° |
| H582 | C58 | H583 | H581 | 120.0° | 120.0° |
| H592 | C59 | H593 | H591 | 120.0° | 120.0° |
| H601 | C60 | H602 | H603 | 120.0° | 120.0° |
| H612 | C61 | H613 | H611 | 120.0° | 120.0° |
| H621 | C62 | H623 | H622 | 120.0° | 120.0° |
