RGC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.21Å | |
| C1 | O25 | sing | 1.36Å | 1.36Å | |
| C1 | C2 | sing | 1.48Å | 1.51Å | |
| O25 | C25 | sing | 1.45Å | 1.43Å | |
| C2 | C3 | doub | 1.34Å | 1.33Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.45Å | 1.53Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.35Å | 1.35Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C38 | sing | 1.51Å | 1.57Å | |
| C5 | C6 | sing | 1.52Å | 1.53Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C38 | H383 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H61 | sing | 1.10Å | 1.11Å | |
| C6 | H62 | sing | 1.10Å | 1.11Å | |
| C7 | O7 | sing | 1.43Å | 1.51Å | |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| C7 | H7 | sing | 1.10Å | 1.12Å | |
| O7 | C48 | sing | 1.42Å | 1.52Å | |
| C48 | H481 | sing | 1.09Å | 1.12Å | |
| C48 | H482 | sing | 1.09Å | 1.12Å | |
| C48 | H483 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.51Å | 1.48Å | |
| C8 | H81 | sing | 1.10Å | 1.11Å | |
| C8 | H82 | sing | 1.10Å | 1.11Å | |
| C9 | C39 | doub | 1.34Å | 1.32Å | |
| C9 | C10 | sing | 1.50Å | 1.50Å | |
| C39 | C40 | sing | 1.48Å | 1.49Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | O40 | doub | 1.23Å | 1.21Å | |
| C40 | O11 | sing | 1.36Å | 1.38Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.10Å | 1.11Å | |
| C10 | H102 | sing | 1.10Å | 1.11Å | |
| C11 | O11 | sing | 1.45Å | 1.47Å | |
| C11 | C12 | sing | 1.55Å | 1.51Å | |
| C11 | H11 | sing | 1.10Å | 1.12Å | |
| C12 | C41 | sing | 1.54Å | 1.53Å | |
| C12 | C13 | sing | 1.56Å | 1.52Å | |
| C12 | H12 | sing | 1.10Å | 1.11Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| C41 | H413 | sing | 1.09Å | 1.12Å | |
| C13 | O13 | sing | 1.43Å | 1.40Å | |
| C13 | C14 | sing | 1.54Å | 1.52Å | |
| C13 | H13 | sing | 1.09Å | 1.11Å | |
| O13 | C49 | sing | 1.42Å | 1.42Å | |
| C49 | H491 | sing | 1.09Å | 1.11Å | |
| C49 | H492 | sing | 1.09Å | 1.11Å | |
| C49 | H493 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.54Å | 1.57Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.10Å | 1.12Å | |
| C15 | O15 | sing | 1.43Å | 1.46Å | |
| C15 | C16 | sing | 1.51Å | 1.57Å | |
| C15 | H15 | sing | 1.10Å | 1.11Å | |
| O15 | C50 | sing | 1.42Å | 1.45Å | |
| C50 | H501 | sing | 1.09Å | 1.12Å | |
| C50 | H502 | sing | 1.09Å | 1.12Å | |
| C50 | H503 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | doub | 1.34Å | 1.33Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | C42 | sing | 1.53Å | 1.50Å | |
| C18 | C19 | sing | 1.55Å | 1.54Å | |
| C18 | H18 | sing | 1.10Å | 1.12Å | |
| C42 | H421 | sing | 1.09Å | 1.11Å | |
| C42 | H422 | sing | 1.09Å | 1.11Å | |
| C42 | H423 | sing | 1.09Å | 1.11Å | |
| C19 | O19 | sing | 1.43Å | 1.43Å | |
| C19 | C20 | sing | 1.54Å | 1.51Å | |
| C19 | H19 | sing | 1.10Å | 1.12Å | |
| O19 | C51 | sing | 1.42Å | 1.43Å | |
| C51 | H511 | sing | 1.09Å | 1.12Å | |
| C51 | H512 | sing | 1.09Å | 1.12Å | |
| C51 | H513 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.54Å | 1.51Å | |
| C20 | H201 | sing | 1.10Å | 1.12Å | |
| C20 | H202 | sing | 1.10Å | 1.11Å | |
| C21 | O21 | sing | 1.43Å | 1.41Å | |
| C21 | C22 | sing | 1.50Å | 1.50Å | |
| C21 | H21 | sing | 1.10Å | 1.12Å | |
| O21 | C52 | sing | 1.42Å | 1.42Å | |
| C52 | H521 | sing | 1.09Å | 1.12Å | |
| C52 | H522 | sing | 1.09Å | 1.11Å | |
| C52 | H523 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | doub | 1.34Å | 1.33Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | C43 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.55Å | 1.54Å | |
| C24 | H24 | sing | 1.10Å | 1.11Å | |
| C43 | H431 | sing | 1.09Å | 1.12Å | |
| C43 | H432 | sing | 1.09Å | 1.11Å | |
| C43 | H433 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.53Å | 1.58Å | |
| C25 | H25 | sing | 1.10Å | 1.12Å | |
| C26 | C44 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.55Å | 1.55Å | |
| C26 | H26 | sing | 1.10Å | 1.12Å | |
| C44 | H441 | sing | 1.10Å | 1.11Å | |
| C44 | H442 | sing | 1.10Å | 1.11Å | |
| C44 | H443 | sing | 1.09Å | 1.12Å | |
| C27 | O27 | sing | 1.43Å | 1.46Å | |
| C27 | C28 | sing | 1.55Å | 1.56Å | |
| C27 | H27 | sing | 1.10Å | 1.11Å | |
| O27 | C53 | sing | 1.42Å | 1.43Å | |
| C53 | H531 | sing | 1.09Å | 1.11Å | |
| C53 | H532 | sing | 1.09Å | 1.12Å | |
| C53 | H533 | sing | 1.09Å | 1.12Å | |
| C28 | C45 | sing | 1.53Å | 1.56Å | |
| C28 | C29 | sing | 1.55Å | 1.53Å | |
| C28 | H28 | sing | 1.10Å | 1.11Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C45 | H452 | sing | 1.09Å | 1.11Å | |
| C45 | H453 | sing | 1.09Å | 1.11Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | H291 | sing | 1.10Å | 1.11Å | |
| C29 | H292 | sing | 1.10Å | 1.11Å | |
| C30 | C31 | sing | 1.52Å | 1.55Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.10Å | 1.12Å | |
| C31 | O31 | doub | 1.23Å | 1.20Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C46 | sing | 1.53Å | 1.60Å | |
| C32 | C33 | sing | 1.54Å | 1.58Å | |
| C32 | H32 | sing | 1.10Å | 1.12Å | |
| C46 | H461 | sing | 1.10Å | 1.12Å | |
| C46 | H462 | sing | 1.10Å | 1.11Å | |
| C46 | H463 | sing | 1.09Å | 1.12Å | |
| C33 | O33 | sing | 1.43Å | 1.42Å | |
| C33 | C34 | sing | 1.54Å | 1.58Å | |
| C33 | H33 | sing | 1.10Å | 1.11Å | |
| O33 | C54 | sing | 1.42Å | 1.43Å | |
| C54 | H541 | sing | 1.09Å | 1.11Å | |
| C54 | H542 | sing | 1.09Å | 1.12Å | |
| C54 | H543 | sing | 1.09Å | 1.11Å | |
| C34 | C35 | sing | 1.53Å | 1.56Å | |
| C34 | H341 | sing | 1.10Å | 1.11Å | |
| C34 | H342 | sing | 1.10Å | 1.11Å | |
| C35 | C36 | sing | 1.51Å | 139.92Å | |
| C35 | H351 | sing | 1.10Å | 1.11Å | |
| C35 | H352 | sing | 1.10Å | 1.11Å | |
| O2 | C36 | sing | 1.36Å | 0.00Å | |
| O2 | HO2 | sing | 0.98Å | 0.95Å | |
| C36 | O3 | doub | 1.22Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O25 | 124.4° | 127.3° |
| O1 | C1 | C2 | 125.5° | 125.5° |
| O25 | C1 | C2 | 110.1° | 107.2° |
| C1 | O25 | C25 | 115.4° | 117.9° |
| C1 | C2 | C3 | 117.6° | 120.1° |
| C1 | C2 | H2 | 127.2° | 118.1° |
| O25 | C25 | C24 | 105.1° | 107.0° |
| O25 | C25 | C26 | 107.0° | 107.2° |
| O25 | C25 | H25 | 114.2° | 110.0° |
| C3 | C2 | H2 | 115.2° | 121.8° |
| C2 | C3 | C4 | 119.1° | 122.1° |
| C2 | C3 | H3 | 113.9° | 119.8° |
| C4 | C3 | H3 | 127.0° | 118.2° |
| C3 | C4 | C5 | 124.1° | 127.7° |
| C3 | C4 | H4 | 124.6° | 114.8° |
| C5 | C4 | H4 | 111.3° | 117.5° |
| C4 | C5 | C38 | 123.8° | 125.8° |
| C4 | C5 | C6 | 113.7° | 119.2° |
| C38 | C5 | C6 | 122.4° | 115.0° |
| C5 | C38 | H381 | 107.1° | 109.3° |
| C5 | C38 | H382 | 123.9° | 109.3° |
| C5 | C38 | H383 | 107.1° | 109.2° |
| C5 | C6 | C7 | 111.5° | 112.5° |
| C5 | C6 | H61 | 111.5° | 109.4° |
| C5 | C6 | H62 | 111.5° | 108.6° |
| H381 | C38 | H382 | 107.1° | 109.9° |
| H381 | C38 | H383 | 102.6° | 109.8° |
| H382 | C38 | H383 | 107.1° | 109.4° |
| C7 | C6 | H61 | 111.5° | 110.1° |
| C7 | C6 | H62 | 111.5° | 109.8° |
| C6 | C7 | O7 | 103.9° | 109.8° |
| C6 | C7 | C8 | 109.3° | 111.0° |
| C6 | C7 | H7 | 113.4° | 110.3° |
| H61 | C6 | H62 | 98.9° | 106.3° |
| O7 | C7 | C8 | 110.3° | 107.5° |
| O7 | C7 | H7 | 112.4° | 107.8° |
| C7 | O7 | C48 | 112.3° | 111.3° |
| C8 | C7 | H7 | 107.4° | 110.3° |
| C7 | C8 | C9 | 111.2° | 111.7° |
| C7 | C8 | H81 | 111.6° | 110.7° |
| C7 | C8 | H82 | 111.6° | 109.7° |
| O7 | C48 | H481 | 111.2° | 109.5° |
| O7 | C48 | H482 | 112.2° | 109.6° |
| O7 | C48 | H483 | 111.2° | 109.0° |
| H481 | C48 | H482 | 111.2° | 110.0° |
| H481 | C48 | H483 | 99.1° | 109.3° |
| H482 | C48 | H483 | 111.2° | 109.4° |
| C9 | C8 | H81 | 111.6° | 108.0° |
| C9 | C8 | H82 | 111.6° | 109.9° |
| C8 | C9 | C39 | 120.4° | 122.6° |
| C8 | C9 | C10 | 118.9° | 117.5° |
| H81 | C8 | H82 | 98.8° | 106.7° |
| C39 | C9 | C10 | 120.7° | 119.9° |
| C9 | C39 | C40 | 122.5° | 121.0° |
| C9 | C39 | H39 | 112.6° | 121.7° |
| C9 | C10 | C11 | 114.0° | 108.1° |
| C9 | C10 | H101 | 110.6° | 108.0° |
| C9 | C10 | H102 | 110.6° | 111.2° |
| C40 | C39 | H39 | 125.0° | 117.3° |
| C39 | C40 | O40 | 123.0° | 120.8° |
| C39 | C40 | O11 | 118.6° | 116.8° |
| O40 | C40 | O11 | 118.3° | 122.4° |
| C40 | O11 | C11 | 119.4° | 119.9° |
| C11 | C10 | H101 | 110.6° | 112.4° |
| C11 | C10 | H102 | 110.6° | 109.3° |
| C10 | C11 | O11 | 113.5° | 109.7° |
| C10 | C11 | C12 | 115.0° | 113.2° |
| C10 | C11 | H11 | 101.1° | 108.0° |
| H101 | C10 | H102 | 99.7° | 107.8° |
| O11 | C11 | C12 | 104.3° | 109.5° |
| O11 | C11 | H11 | 112.4° | 106.7° |
| C12 | C11 | H11 | 110.9° | 109.5° |
| C11 | C12 | C41 | 111.8° | 111.5° |
| C11 | C12 | C13 | 117.0° | 111.5° |
| C11 | C12 | H12 | 101.1° | 108.6° |
| C41 | C12 | C13 | 104.9° | 110.4° |
| C41 | C12 | H12 | 114.0° | 106.9° |
| C12 | C41 | H411 | 111.3° | 110.5° |
| C12 | C41 | H412 | 111.8° | 110.6° |
| C12 | C41 | H413 | 111.3° | 110.5° |
| C13 | C12 | H12 | 108.4° | 107.7° |
| C12 | C13 | O13 | 115.0° | 109.8° |
| C12 | C13 | C14 | 123.5° | 112.3° |
| C12 | C13 | H13 | 92.3° | 109.5° |
| H411 | C41 | H412 | 111.3° | 108.4° |
| H411 | C41 | H413 | 99.0° | 108.4° |
| H412 | C41 | H413 | 111.4° | 108.4° |
| O13 | C13 | C14 | 109.6° | 107.8° |
| O13 | C13 | H13 | 113.1° | 106.9° |
| C13 | O13 | C49 | 137.7° | 111.2° |
| C14 | C13 | H13 | 100.4° | 110.3° |
| C13 | C14 | C15 | 113.4° | 113.6° |
| C13 | C14 | H141 | 110.8° | 109.6° |
| C13 | C14 | H142 | 110.8° | 108.6° |
| O13 | C49 | H491 | 102.6° | 109.5° |
| O13 | C49 | H492 | 137.7° | 109.5° |
| O13 | C49 | H493 | 102.6° | 108.9° |
| H491 | C49 | H492 | 102.6° | 110.1° |
| H491 | C49 | H493 | 105.7° | 109.3° |
| H492 | C49 | H493 | 102.6° | 109.4° |
| C15 | C14 | H141 | 110.8° | 108.2° |
| C15 | C14 | H142 | 110.8° | 108.8° |
| C14 | C15 | O15 | 102.5° | 107.9° |
| C14 | C15 | C16 | 102.3° | 115.8° |
| C14 | C15 | H15 | 118.3° | 109.5° |
| H141 | C14 | H142 | 99.6° | 107.9° |
| O15 | C15 | C16 | 110.1° | 108.0° |
| O15 | C15 | H15 | 111.4° | 107.3° |
| C15 | O15 | C50 | 115.0° | 111.2° |
| C16 | C15 | H15 | 111.6° | 108.0° |
| C15 | C16 | C17 | 112.5° | 127.4° |
| C15 | C16 | H16 | 130.9° | 114.8° |
| O15 | C50 | H501 | 110.2° | 109.5° |
| O15 | C50 | H502 | 115.0° | 109.5° |
| O15 | C50 | H503 | 110.2° | 109.0° |
| H501 | C50 | H502 | 110.2° | 110.0° |
| H501 | C50 | H503 | 100.1° | 109.4° |
| H502 | C50 | H503 | 110.2° | 109.4° |
| C17 | C16 | H16 | 116.6° | 117.8° |
| C16 | C17 | C18 | 118.5° | 123.5° |
| C16 | C17 | H17 | 114.1° | 120.1° |
| C18 | C17 | H17 | 127.4° | 116.4° |
| C17 | C18 | C42 | 109.6° | 109.7° |
| C17 | C18 | C19 | 111.8° | 113.0° |
| C17 | C18 | H18 | 108.6° | 108.1° |
| C42 | C18 | C19 | 111.8° | 112.1° |
| C42 | C18 | H18 | 108.6° | 106.8° |
| C18 | C42 | H421 | 112.2° | 110.6° |
| C18 | C42 | H422 | 109.6° | 110.5° |
| C18 | C42 | H423 | 112.2° | 110.5° |
| C19 | C18 | H18 | 106.3° | 106.8° |
| C18 | C19 | O19 | 109.9° | 107.3° |
| C18 | C19 | C20 | 108.8° | 115.5° |
| C18 | C19 | H19 | 109.0° | 107.8° |
| H421 | C42 | H422 | 112.2° | 108.4° |
| H421 | C42 | H423 | 98.3° | 108.4° |
| H422 | C42 | H423 | 112.1° | 108.4° |
| O19 | C19 | C20 | 107.6° | 110.3° |
| O19 | C19 | H19 | 110.2° | 106.6° |
| C19 | O19 | C51 | 117.6° | 111.2° |
| C20 | C19 | H19 | 111.3° | 109.1° |
| C19 | C20 | C21 | 116.0° | 112.2° |
| C19 | C20 | H201 | 109.8° | 109.9° |
| C19 | C20 | H202 | 109.8° | 109.0° |
| O19 | C51 | H511 | 109.3° | 109.5° |
| O19 | C51 | H512 | 117.6° | 109.5° |
| O19 | C51 | H513 | 109.3° | 109.0° |
| H511 | C51 | H512 | 109.3° | 110.1° |
| H511 | C51 | H513 | 100.8° | 109.4° |
| H512 | C51 | H513 | 109.3° | 109.4° |
| C21 | C20 | H201 | 109.8° | 108.8° |
| C21 | C20 | H202 | 109.8° | 108.5° |
| C20 | C21 | O21 | 109.3° | 109.5° |
| C20 | C21 | C22 | 117.5° | 112.1° |
| C20 | C21 | H21 | 103.4° | 109.2° |
| H201 | C20 | H202 | 100.4° | 108.3° |
| O21 | C21 | C22 | 107.7° | 107.9° |
| O21 | C21 | H21 | 113.9° | 107.4° |
| C21 | O21 | C52 | 126.7° | 111.3° |
| C22 | C21 | H21 | 105.1° | 110.6° |
| C21 | C22 | C23 | 130.7° | 123.3° |
| C21 | C22 | H22 | 121.9° | 117.2° |
| O21 | C52 | H521 | 106.2° | 109.5° |
| O21 | C52 | H522 | 126.7° | 109.5° |
| O21 | C52 | H523 | 106.1° | 109.0° |
| H521 | C52 | H522 | 106.1° | 110.1° |
| H521 | C52 | H523 | 103.3° | 109.3° |
| H522 | C52 | H523 | 106.2° | 109.4° |
| C23 | C22 | H22 | 107.4° | 119.5° |
| C22 | C23 | C24 | 125.3° | 124.4° |
| C22 | C23 | H23 | 109.5° | 119.0° |
| C24 | C23 | H23 | 125.2° | 116.7° |
| C23 | C24 | C43 | 101.4° | 108.2° |
| C23 | C24 | C25 | 106.9° | 109.9° |
| C23 | C24 | H24 | 116.3° | 108.8° |
| C43 | C24 | C25 | 110.2° | 113.2° |
| C43 | C24 | H24 | 113.4° | 108.0° |
| C24 | C43 | H431 | 115.3° | 110.5° |
| C24 | C43 | H432 | 101.4° | 110.6° |
| C24 | C43 | H433 | 115.3° | 110.6° |
| C25 | C24 | H24 | 108.4° | 108.6° |
| C24 | C25 | C26 | 110.3° | 113.3° |
| C24 | C25 | H25 | 111.0° | 109.9° |
| H431 | C43 | H432 | 115.3° | 108.3° |
| H431 | C43 | H433 | 95.1° | 108.3° |
| H432 | C43 | H433 | 115.3° | 108.4° |
| C26 | C25 | H25 | 109.2° | 109.4° |
| C25 | C26 | C44 | 114.1° | 109.6° |
| C25 | C26 | C27 | 108.1° | 110.7° |
| C25 | C26 | H26 | 106.8° | 106.6° |
| C44 | C26 | C27 | 108.0° | 112.4° |
| C44 | C26 | H26 | 106.9° | 108.3° |
| C26 | C44 | H441 | 110.5° | 110.7° |
| C26 | C44 | H442 | 114.1° | 111.1° |
| C26 | C44 | H443 | 110.5° | 111.7° |
| C27 | C26 | H26 | 113.1° | 109.0° |
| C26 | C27 | O27 | 106.1° | 109.0° |
| C26 | C27 | C28 | 112.5° | 116.3° |
| C26 | C27 | H27 | 108.7° | 107.8° |
| H441 | C44 | H442 | 110.5° | 107.9° |
| H441 | C44 | H443 | 99.8° | 107.0° |
| H442 | C44 | H443 | 110.5° | 108.3° |
| O27 | C27 | C28 | 106.2° | 109.5° |
| O27 | C27 | H27 | 114.8° | 106.1° |
| C27 | O27 | C53 | 114.5° | 111.2° |
| C28 | C27 | H27 | 108.6° | 107.7° |
| C27 | C28 | C45 | 109.7° | 112.7° |
| C27 | C28 | C29 | 116.7° | 109.5° |
| C27 | C28 | H28 | 104.5° | 108.2° |
| O27 | C53 | H531 | 110.4° | 109.5° |
| O27 | C53 | H532 | 114.5° | 109.6° |
| O27 | C53 | H533 | 110.3° | 109.0° |
| H531 | C53 | H532 | 110.4° | 110.1° |
| H531 | C53 | H533 | 99.9° | 109.3° |
| H532 | C53 | H533 | 110.3° | 109.4° |
| C45 | C28 | C29 | 110.4° | 110.8° |
| C45 | C28 | H28 | 111.5° | 107.9° |
| C28 | C45 | H451 | 112.1° | 111.6° |
| C28 | C45 | H452 | 109.8° | 111.7° |
| C28 | C45 | H453 | 112.1° | 111.1° |
| C29 | C28 | H28 | 103.7° | 107.5° |
| C28 | C29 | C30 | 110.9° | 113.6° |
| C28 | C29 | H291 | 111.7° | 108.8° |
| C28 | C29 | H292 | 111.7° | 110.2° |
| H451 | C45 | H452 | 112.1° | 108.2° |
| H451 | C45 | H453 | 98.3° | 106.4° |
| H452 | C45 | H453 | 112.1° | 107.7° |
| C30 | C29 | H291 | 111.7° | 108.5° |
| C30 | C29 | H292 | 111.7° | 109.3° |
| C29 | C30 | C31 | 109.1° | 112.4° |
| C29 | C30 | H301 | 112.4° | 110.5° |
| C29 | C30 | H302 | 112.4° | 109.6° |
| H291 | C29 | H292 | 98.7° | 106.3° |
| C31 | C30 | H301 | 112.3° | 107.2° |
| C31 | C30 | H302 | 112.3° | 108.2° |
| C30 | C31 | O31 | 125.2° | 122.2° |
| C30 | C31 | C32 | 105.9° | 116.1° |
| H301 | C30 | H302 | 98.1° | 108.8° |
| O31 | C31 | C32 | 128.9° | 121.7° |
| C31 | C32 | C46 | 105.5° | 109.9° |
| C31 | C32 | C33 | 110.4° | 109.3° |
| C31 | C32 | H32 | 110.6° | 106.6° |
| C46 | C32 | C33 | 106.8° | 114.1° |
| C46 | C32 | H32 | 114.0° | 107.4° |
| C32 | C46 | H461 | 113.7° | 112.0° |
| C32 | C46 | H462 | 105.5° | 110.5° |
| C32 | C46 | H463 | 113.7° | 111.2° |
| C33 | C32 | H32 | 109.4° | 109.3° |
| C32 | C33 | O33 | 102.8° | 108.8° |
| C32 | C33 | C34 | 109.8° | 111.9° |
| C32 | C33 | H33 | 113.1° | 109.2° |
| H461 | C46 | H462 | 113.7° | 107.2° |
| H461 | C46 | H463 | 96.7° | 108.2° |
| H462 | C46 | H463 | 113.7° | 107.7° |
| O33 | C33 | C34 | 108.1° | 110.1° |
| O33 | C33 | H33 | 114.6° | 107.4° |
| C33 | O33 | C54 | 110.6° | 111.3° |
| C34 | C33 | H33 | 108.2° | 109.4° |
| C33 | C34 | C35 | 116.8° | 113.6° |
| C33 | C34 | H341 | 109.5° | 108.6° |
| C33 | C34 | H342 | 109.6° | 110.0° |
| O33 | C54 | H541 | 111.8° | 109.5° |
| O33 | C54 | H542 | 110.6° | 109.5° |
| O33 | C54 | H543 | 111.8° | 109.0° |
| H541 | C54 | H542 | 111.8° | 110.1° |
| H541 | C54 | H543 | 98.6° | 109.3° |
| H542 | C54 | H543 | 111.8° | 109.4° |
| C35 | C34 | H341 | 109.6° | 107.7° |
| C35 | C34 | H342 | 109.5° | 109.2° |
| C34 | C35 | C36 | 71.5° | 113.2° |
| C34 | C35 | H351 | 128.7° | 111.1° |
| C34 | C35 | H352 | 128.7° | 110.0° |
| H341 | C34 | H342 | 100.6° | 107.6° |
| C36 | C35 | H351 | 128.7° | 108.7° |
| C36 | C35 | H352 | 128.7° | 107.3° |
| C35 | C36 | O2 | 90.0° | 111.3° |
| C35 | C36 | O3 | 90.0° | 124.7° |
| H351 | C35 | H352 | 79.1° | 106.2° |
| C36 | O2 | HO2 | 90.0° | 111.9° |
| O2 | C36 | O3 | 90.0° | 124.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O25 | C2 | 178.7° | 178.8° |
| O1 | C1 | O25 | C25 | 7.3° | 3.8° |
| O1 | C1 | C2 | C3 | 2.2° | 0.4° |
| O1 | C1 | C2 | H2 | 177.9° | 178.7° |
| O25 | C1 | C2 | C3 | 176.6° | 179.2° |
| O25 | C1 | C2 | H2 | 3.4° | 0.1° |
| C1 | O25 | C25 | C24 | 113.0° | 152.1° |
| C1 | O25 | C25 | C26 | 129.7° | 86.1° |
| C1 | O25 | C25 | H25 | 8.8° | 32.7° |
| C2 | C1 | O25 | C25 | 171.5° | 175.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.1° |
| C1 | C2 | C3 | C4 | 179.0° | 178.5° |
| C1 | C2 | C3 | H3 | 0.9° | 0.8° |
| O25 | C25 | C24 | C23 | 69.5° | 70.8° |
| O25 | C25 | C24 | C43 | 178.8° | 168.0° |
| O25 | C25 | C24 | C26 | 114.9° | 117.9° |
| O25 | C25 | C24 | H25 | 123.8° | 119.4° |
| O25 | C25 | C24 | H24 | 56.6° | 48.1° |
| O25 | C25 | C26 | H25 | 124.0° | 119.2° |
| O25 | C25 | C26 | C44 | 51.2° | 60.8° |
| O25 | C25 | C26 | C27 | 69.0° | 63.8° |
| O25 | C25 | C26 | H26 | 169.1° | 177.8° |
| C2 | C3 | C4 | H3 | 180.0° | 179.4° |
| C2 | C3 | C4 | C5 | 179.0° | 176.4° |
| C2 | C3 | C4 | H4 | 1.0° | 3.2° |
| H2 | C2 | C3 | C4 | 0.9° | 0.6° |
| H2 | C2 | C3 | H3 | 179.1° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.6° |
| C3 | C4 | C5 | C38 | 1.1° | 0.7° |
| C3 | C4 | C5 | C6 | 178.5° | 179.4° |
| H3 | C3 | C4 | C5 | 1.0° | 4.2° |
| H3 | C3 | C4 | H4 | 179.0° | 176.2° |
| C4 | C5 | C38 | C6 | 179.6° | 178.7° |
| C4 | C5 | C38 | H381 | 54.7° | 147.4° |
| C4 | C5 | C38 | H382 | 180.0° | 92.4° |
| C4 | C5 | C38 | H383 | 54.7° | 27.3° |
| C4 | C5 | C6 | C7 | 111.7° | 78.9° |
| C4 | C5 | C6 | H61 | 13.6° | 158.5° |
| C4 | C5 | C6 | H62 | 123.1° | 42.9° |
| H4 | C4 | C5 | C38 | 178.9° | 179.7° |
| H4 | C4 | C5 | C6 | 1.5° | 1.0° |
| C5 | C38 | H381 | H382 | 134.8° | 119.9° |
| C5 | C38 | H381 | H383 | 112.6° | 119.8° |
| C5 | C38 | H382 | H383 | 125.3° | 119.5° |
| C38 | C5 | C6 | C7 | 68.7° | 102.3° |
| C38 | C5 | C6 | H61 | 166.1° | 20.3° |
| C38 | C5 | C6 | H62 | 56.6° | 135.9° |
| C6 | C5 | C38 | H381 | 124.9° | 33.9° |
| C6 | C5 | C38 | H382 | 0.4° | 86.4° |
| C6 | C5 | C38 | H383 | 125.7° | 154.0° |
| C5 | C6 | C7 | H61 | 125.3° | 122.2° |
| C5 | C6 | C7 | H62 | 125.2° | 121.1° |
| C5 | C6 | H61 | H62 | 117.4° | 117.1° |
| C5 | C6 | C7 | O7 | 76.6° | 69.4° |
| C5 | C6 | C7 | C8 | 165.6° | 171.8° |
| C5 | C6 | C7 | H7 | 45.8° | 49.3° |
| H381 | C38 | H382 | H383 | 109.5° | 120.6° |
| C7 | C6 | H61 | H62 | 117.4° | 118.9° |
| C6 | C7 | O7 | C8 | 117.1° | 120.9° |
| C6 | C7 | O7 | H7 | 123.1° | 120.2° |
| C6 | C7 | C8 | H7 | 123.4° | 122.6° |
| C6 | C7 | O7 | C48 | 166.5° | 60.8° |
| C6 | C7 | C8 | C9 | 69.7° | 163.3° |
| C6 | C7 | C8 | H81 | 55.6° | 42.8° |
| C6 | C7 | C8 | H82 | 165.1° | 74.6° |
| H61 | C6 | C7 | O7 | 158.1° | 52.8° |
| H61 | C6 | C7 | C8 | 40.4° | 65.9° |
| H61 | C6 | C7 | H7 | 79.4° | 171.5° |
| H62 | C6 | C7 | O7 | 48.6° | 169.5° |
| H62 | C6 | C7 | C8 | 69.1° | 50.8° |
| H62 | C6 | C7 | H7 | 171.1° | 71.8° |
| O7 | C7 | C8 | H7 | 122.9° | 117.3° |
| C7 | O7 | C48 | H481 | 54.7° | 112.5° |
| C7 | O7 | C48 | H482 | 180.0° | 8.2° |
| C7 | O7 | C48 | H483 | 54.7° | 127.9° |
| O7 | C7 | C8 | C9 | 176.6° | 76.6° |
| O7 | C7 | C8 | H81 | 58.1° | 163.0° |
| O7 | C7 | C8 | H82 | 51.4° | 45.5° |
| C8 | C7 | O7 | C48 | 76.4° | 60.1° |
| C7 | C8 | C9 | H81 | 125.3° | 122.0° |
| C7 | C8 | C9 | H82 | 125.2° | 122.0° |
| C7 | C8 | H81 | H82 | 117.5° | 119.3° |
| C7 | C8 | C9 | C39 | 115.4° | 101.4° |
| C7 | C8 | C9 | C10 | 61.5° | 78.8° |
| H7 | C7 | O7 | C48 | 43.5° | 178.9° |
| H7 | C7 | C8 | C9 | 53.8° | 40.7° |
| H7 | C7 | C8 | H81 | 179.1° | 79.8° |
| H7 | C7 | C8 | H82 | 71.5° | 162.8° |
| O7 | C48 | H481 | H482 | 125.9° | 120.5° |
| O7 | C48 | H481 | H483 | 117.1° | 119.4° |
| O7 | C48 | H482 | H483 | 125.3° | 119.5° |
| H481 | C48 | H482 | H483 | 109.5° | 120.1° |
| C9 | C8 | H81 | H82 | 117.5° | 118.1° |
| C8 | C9 | C39 | C10 | 176.8° | 179.9° |
| C8 | C9 | C39 | C40 | 178.6° | 178.8° |
| C8 | C9 | C39 | H39 | 1.4° | 1.3° |
| C8 | C9 | C10 | C11 | 162.4° | 147.1° |
| C8 | C9 | C10 | H101 | 37.1° | 91.0° |
| C8 | C9 | C10 | H102 | 72.4° | 27.1° |
| H81 | C8 | C9 | C39 | 9.9° | 136.6° |
| H81 | C8 | C9 | C10 | 173.2° | 43.2° |
| H82 | C8 | C9 | C39 | 119.3° | 20.6° |
| H82 | C8 | C9 | C10 | 63.8° | 159.2° |
| C9 | C39 | C40 | H39 | 180.0° | 177.6° |
| C9 | C39 | C40 | O40 | 177.9° | 165.8° |
| C9 | C39 | C40 | O11 | 0.3° | 13.7° |
| C39 | C9 | C10 | C11 | 20.8° | 33.0° |
| C39 | C9 | C10 | H101 | 146.0° | 88.9° |
| C39 | C9 | C10 | H102 | 104.5° | 153.0° |
| C10 | C9 | C39 | C40 | 1.8° | 1.1° |
| C10 | C9 | C39 | H39 | 178.2° | 178.5° |
| C9 | C10 | C11 | H101 | 125.3° | 119.1° |
| C9 | C10 | C11 | H102 | 125.3° | 121.2° |
| C9 | C10 | H101 | H102 | 116.4° | 120.3° |
| C9 | C10 | C11 | O11 | 36.9° | 54.8° |
| C9 | C10 | C11 | C12 | 156.9° | 177.4° |
| C9 | C10 | C11 | H11 | 83.6° | 61.2° |
| C39 | C40 | O40 | O11 | 178.2° | 179.4° |
| C39 | C40 | O11 | C11 | 18.4° | 12.5° |
| H39 | C39 | C40 | O40 | 2.1° | 11.8° |
| H39 | C39 | C40 | O11 | 179.7° | 168.7° |
| O40 | C40 | O11 | C11 | 163.4° | 168.1° |
| C40 | O11 | C11 | C10 | 36.9° | 47.3° |
| C40 | O11 | C11 | C12 | 162.8° | 172.1° |
| C40 | O11 | C11 | H11 | 77.0° | 69.5° |
| C11 | C10 | H101 | H102 | 116.4° | 120.6° |
| C10 | C11 | O11 | C12 | 125.9° | 124.8° |
| C10 | C11 | O11 | H11 | 113.9° | 116.8° |
| C10 | C11 | C12 | H11 | 113.8° | 120.5° |
| C10 | C11 | C12 | C41 | 170.6° | 71.3° |
| C10 | C11 | C12 | C13 | 49.6° | 164.8° |
| C10 | C11 | C12 | H12 | 67.9° | 46.3° |
| H101 | C10 | C11 | O11 | 162.2° | 64.3° |
| H101 | C10 | C11 | C12 | 77.8° | 58.3° |
| H101 | C10 | C11 | H11 | 41.6° | 179.7° |
| H102 | C10 | C11 | O11 | 88.4° | 176.0° |
| H102 | C10 | C11 | C12 | 31.6° | 61.4° |
| H102 | C10 | C11 | H11 | 151.1° | 60.0° |
| O11 | C11 | C12 | H11 | 121.2° | 116.7° |
| O11 | C11 | C12 | C41 | 64.4° | 51.4° |
| O11 | C11 | C12 | C13 | 174.6° | 72.5° |
| O11 | C11 | C12 | H12 | 57.1° | 169.0° |
| C11 | C12 | C41 | C13 | 127.7° | 124.6° |
| C11 | C12 | C41 | H12 | 113.8° | 118.6° |
| C11 | C12 | C13 | H12 | 113.4° | 119.1° |
| C11 | C12 | C41 | H411 | 54.8° | 35.3° |
| C11 | C12 | C41 | H412 | 180.0° | 84.7° |
| C11 | C12 | C41 | H413 | 54.7° | 155.3° |
| C11 | C12 | C13 | O13 | 44.0° | 170.2° |
| C11 | C12 | C13 | C14 | 177.1° | 69.8° |
| C11 | C12 | C13 | H13 | 72.9° | 53.1° |
| H11 | C11 | C12 | C41 | 56.7° | 168.2° |
| H11 | C11 | C12 | C13 | 64.2° | 44.2° |
| H11 | C11 | C12 | H12 | 178.3° | 74.3° |
| C41 | C12 | C13 | H12 | 122.1° | 116.4° |
| C12 | C41 | H411 | H412 | 125.5° | 121.3° |
| C12 | C41 | H411 | H413 | 117.3° | 121.3° |
| C12 | C41 | H412 | H413 | 125.3° | 121.3° |
| C41 | C12 | C13 | O13 | 80.5° | 45.7° |
| C41 | C12 | C13 | C14 | 58.5° | 165.6° |
| C41 | C12 | C13 | H13 | 162.6° | 71.5° |
| C13 | C12 | C41 | H411 | 177.5° | 89.3° |
| C13 | C12 | C41 | H412 | 52.3° | 150.7° |
| C13 | C12 | C41 | H413 | 73.0° | 30.7° |
| C12 | C13 | O13 | C14 | 144.5° | 122.6° |
| C12 | C13 | O13 | H13 | 104.3° | 118.8° |
| C12 | C13 | C14 | H13 | 99.9° | 122.5° |
| C12 | C13 | O13 | C49 | 153.7° | 62.6° |
| C12 | C13 | C14 | C15 | 64.6° | 179.0° |
| C12 | C13 | C14 | H141 | 60.6° | 57.8° |
| C12 | C13 | C14 | H142 | 170.1° | 59.9° |
| H12 | C12 | C41 | H411 | 59.0° | 153.9° |
| H12 | C12 | C41 | H412 | 66.2° | 33.8° |
| H12 | C12 | C41 | H413 | 168.5° | 86.1° |
| H12 | C12 | C13 | O13 | 157.3° | 70.7° |
| H12 | C12 | C13 | C14 | 63.7° | 49.2° |
| H12 | C12 | C13 | H13 | 40.5° | 172.1° |
| H411 | C41 | H412 | H413 | 109.5° | 117.4° |
| O13 | C13 | C14 | H13 | 119.3° | 116.4° |
| C13 | O13 | C49 | H491 | 54.8° | 11.0° |
| C13 | O13 | C49 | H492 | 180.0° | 131.9° |
| C13 | O13 | C49 | H493 | 54.8° | 108.5° |
| O13 | C13 | C14 | C15 | 154.6° | 59.9° |
| O13 | C13 | C14 | H141 | 80.2° | 178.9° |
| O13 | C13 | C14 | H142 | 29.3° | 61.3° |
| C14 | C13 | O13 | C49 | 61.8° | 60.0° |
| C13 | C14 | C15 | H141 | 125.2° | 121.9° |
| C13 | C14 | C15 | H142 | 125.3° | 121.1° |
| C13 | C14 | H141 | H142 | 116.6° | 118.1° |
| C13 | C14 | C15 | O15 | 164.6° | 59.0° |
| C13 | C14 | C15 | C16 | 81.3° | 179.8° |
| C13 | C14 | C15 | H15 | 41.7° | 57.5° |
| H13 | C13 | O13 | C49 | 49.4° | 178.6° |
| H13 | C13 | C14 | C15 | 35.3° | 56.5° |
| H13 | C13 | C14 | H141 | 160.5° | 64.6° |
| H13 | C13 | C14 | H142 | 90.0° | 177.7° |
| O13 | C49 | H491 | H492 | 145.7° | 120.5° |
| O13 | C49 | H491 | H493 | 107.1° | 119.3° |
| O13 | C49 | H492 | H493 | 125.3° | 119.3° |
| H491 | C49 | H492 | H493 | 109.5° | 120.2° |
| C15 | C14 | H141 | H142 | 116.7° | 117.6° |
| C14 | C15 | O15 | C16 | 108.2° | 125.9° |
| C14 | C15 | O15 | H15 | 127.5° | 117.9° |
| C14 | C15 | C16 | H15 | 127.4° | 123.2° |
| C14 | C15 | O15 | C50 | 168.6° | 174.1° |
| C14 | C15 | C16 | C17 | 124.4° | 7.2° |
| C14 | C15 | C16 | H16 | 55.6° | 173.3° |
| H141 | C14 | C15 | O15 | 39.4° | 62.9° |
| H141 | C14 | C15 | C16 | 153.5° | 58.3° |
| H141 | C14 | C15 | H15 | 83.5° | 179.4° |
| H142 | C14 | C15 | O15 | 70.1° | 179.9° |
| H142 | C14 | C15 | C16 | 44.0° | 58.8° |
| H142 | C14 | C15 | H15 | 167.0° | 63.6° |
| O15 | C15 | C16 | H15 | 124.2° | 115.8° |
| C15 | O15 | C50 | H501 | 54.7° | 74.7° |
| C15 | O15 | C50 | H502 | 180.0° | 46.0° |
| C15 | O15 | C50 | H503 | 54.8° | 165.6° |
| O15 | C15 | C16 | C17 | 127.3° | 128.3° |
| O15 | C15 | C16 | H16 | 52.7° | 52.2° |
| C16 | C15 | O15 | C50 | 83.2° | 60.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.5° |
| C15 | C16 | C17 | C18 | 178.9° | 178.9° |
| C15 | C16 | C17 | H17 | 1.0° | 0.4° |
| H15 | C15 | O15 | C50 | 41.2° | 56.2° |
| H15 | C15 | C16 | C17 | 3.1° | 116.0° |
| H15 | C15 | C16 | H16 | 176.9° | 63.5° |
| O15 | C50 | H501 | H502 | 128.0° | 120.4° |
| O15 | C50 | H501 | H503 | 116.0° | 119.4° |
| O15 | C50 | H502 | H503 | 125.3° | 119.4° |
| H501 | C50 | H502 | H503 | 109.5° | 120.2° |
| C16 | C17 | C18 | H17 | 180.0° | 179.4° |
| C16 | C17 | C18 | C42 | 115.9° | 126.9° |
| C16 | C17 | C18 | C19 | 119.6° | 107.3° |
| C16 | C17 | C18 | H18 | 2.6° | 10.7° |
| H16 | C16 | C17 | C18 | 1.1° | 1.6° |
| H16 | C16 | C17 | H17 | 179.0° | 179.1° |
| C17 | C18 | C42 | C19 | 124.6° | 126.3° |
| C17 | C18 | C42 | H18 | 118.5° | 117.0° |
| C17 | C18 | C19 | H18 | 118.3° | 118.8° |
| C17 | C18 | C42 | H421 | 54.7° | 146.7° |
| C17 | C18 | C42 | H422 | 180.0° | 93.2° |
| C17 | C18 | C42 | H423 | 54.7° | 26.7° |
| C17 | C18 | C19 | O19 | 178.2° | 66.6° |
| C17 | C18 | C19 | C20 | 60.6° | 56.8° |
| C17 | C18 | C19 | H19 | 61.0° | 179.0° |
| H17 | C17 | C18 | C42 | 64.2° | 52.5° |
| H17 | C17 | C18 | C19 | 60.4° | 73.3° |
| H17 | C17 | C18 | H18 | 177.4° | 168.7° |
| C42 | C18 | C19 | H18 | 118.3° | 116.7° |
| C18 | C42 | H421 | H422 | 123.9° | 121.3° |
| C18 | C42 | H421 | H423 | 118.1° | 121.3° |
| C18 | C42 | H422 | H423 | 125.3° | 121.3° |
| C42 | C18 | C19 | O19 | 58.5° | 168.9° |
| C42 | C18 | C19 | C20 | 176.1° | 67.7° |
| C42 | C18 | C19 | H19 | 62.4° | 54.5° |
| C19 | C18 | C42 | H421 | 179.3° | 87.0° |
| C19 | C18 | C42 | H422 | 55.4° | 33.1° |
| C19 | C18 | C42 | H423 | 69.8° | 153.1° |
| C18 | C19 | O19 | C20 | 118.3° | 126.6° |
| C18 | C19 | O19 | H19 | 120.2° | 115.2° |
| C18 | C19 | C20 | H19 | 120.2° | 121.5° |
| C18 | C19 | O19 | C51 | 113.8° | 53.4° |
| C18 | C19 | C20 | C21 | 171.5° | 170.4° |
| C18 | C19 | C20 | H201 | 46.2° | 49.2° |
| C18 | C19 | C20 | H202 | 63.3° | 69.4° |
| H18 | C18 | C42 | H421 | 63.8° | 29.7° |
| H18 | C18 | C42 | H422 | 61.5° | 149.8° |
| H18 | C18 | C42 | H423 | 173.3° | 90.3° |
| H18 | C18 | C19 | O19 | 59.8° | 52.2° |
| H18 | C18 | C19 | C20 | 57.8° | 175.6° |
| H18 | C18 | C19 | H19 | 179.3° | 62.2° |
| H421 | C42 | H422 | H423 | 109.4° | 117.4° |
| O19 | C19 | C20 | H19 | 120.8° | 116.7° |
| C19 | O19 | C51 | H511 | 54.7° | 11.3° |
| C19 | O19 | C51 | H512 | 180.0° | 109.5° |
| C19 | O19 | C51 | H513 | 54.7° | 130.9° |
| O19 | C19 | C20 | C21 | 69.5° | 67.8° |
| O19 | C19 | C20 | H201 | 165.3° | 171.0° |
| O19 | C19 | C20 | H202 | 55.8° | 52.4° |
| C20 | C19 | O19 | C51 | 127.8° | 180.0° |
| C19 | C20 | C21 | H201 | 125.2° | 121.9° |
| C19 | C20 | C21 | H202 | 125.3° | 120.5° |
| C19 | C20 | H201 | H202 | 115.6° | 119.0° |
| C19 | C20 | C21 | O21 | 163.9° | 66.4° |
| C19 | C20 | C21 | C22 | 73.0° | 173.9° |
| C19 | C20 | C21 | H21 | 42.2° | 51.0° |
| H19 | C19 | O19 | C51 | 6.4° | 61.8° |
| H19 | C19 | C20 | C21 | 51.3° | 48.9° |
| H19 | C19 | C20 | H201 | 73.9° | 72.3° |
| H19 | C19 | C20 | H202 | 176.6° | 169.1° |
| O19 | C51 | H511 | H512 | 130.0° | 120.4° |
| O19 | C51 | H511 | H513 | 115.0° | 119.3° |
| O19 | C51 | H512 | H513 | 125.3° | 119.3° |
| H511 | C51 | H512 | H513 | 109.5° | 120.2° |
| C21 | C20 | H201 | H202 | 115.6° | 117.8° |
| C20 | C21 | O21 | C22 | 128.7° | 122.2° |
| C20 | C21 | O21 | H21 | 115.1° | 118.5° |
| C20 | C21 | C22 | H21 | 114.3° | 122.1° |
| C20 | C21 | O21 | C52 | 149.9° | 177.7° |
| C20 | C21 | C22 | C23 | 131.4° | 114.9° |
| C20 | C21 | C22 | H22 | 48.6° | 66.9° |
| H201 | C20 | C21 | O21 | 70.8° | 171.8° |
| H201 | C20 | C21 | C22 | 52.2° | 52.0° |
| H201 | C20 | C21 | H21 | 167.5° | 70.9° |
| H202 | C20 | C21 | O21 | 38.7° | 54.1° |
| H202 | C20 | C21 | C22 | 161.7° | 65.6° |
| H202 | C20 | C21 | H21 | 83.0° | 171.4° |
| O21 | C21 | C22 | H21 | 121.9° | 117.2° |
| C21 | O21 | C52 | H521 | 54.7° | 5.0° |
| C21 | O21 | C52 | H522 | 180.0° | 115.8° |
| C21 | O21 | C52 | H523 | 54.7° | 124.5° |
| O21 | C21 | C22 | C23 | 104.7° | 124.5° |
| O21 | C21 | C22 | H22 | 75.2° | 53.8° |
| C22 | C21 | O21 | C52 | 81.4° | 60.0° |
| C21 | C22 | C23 | H22 | 180.0° | 178.2° |
| C21 | C22 | C23 | C24 | 176.9° | 176.5° |
| C21 | C22 | C23 | H23 | 3.1° | 1.8° |
| H21 | C21 | O21 | C52 | 34.8° | 59.3° |
| H21 | C21 | C22 | C23 | 17.1° | 7.2° |
| H21 | C21 | C22 | H22 | 162.9° | 171.0° |
| O21 | C52 | H521 | H522 | 137.1° | 120.5° |
| O21 | C52 | H521 | H523 | 111.5° | 119.4° |
| O21 | C52 | H522 | H523 | 125.3° | 119.4° |
| H521 | C52 | H522 | H523 | 109.5° | 120.2° |
| C22 | C23 | C24 | H23 | 180.0° | 178.4° |
| C22 | C23 | C24 | C43 | 124.4° | 120.2° |
| C22 | C23 | C24 | C25 | 120.2° | 115.7° |
| C22 | C23 | C24 | H24 | 1.0° | 3.1° |
| H22 | C22 | C23 | C24 | 3.1° | 1.7° |
| H22 | C22 | C23 | H23 | 176.9° | 180.0° |
| C23 | C24 | C43 | C25 | 113.0° | 122.1° |
| C23 | C24 | C43 | H24 | 125.4° | 117.6° |
| C23 | C24 | C25 | H24 | 126.1° | 118.9° |
| C23 | C24 | C43 | H431 | 54.7° | 82.8° |
| C23 | C24 | C43 | H432 | 180.0° | 157.3° |
| C23 | C24 | C43 | H433 | 54.7° | 37.2° |
| C23 | C24 | C25 | C26 | 175.6° | 171.3° |
| C23 | C24 | C25 | H25 | 54.4° | 48.5° |
| H23 | C23 | C24 | C43 | 55.5° | 58.2° |
| H23 | C23 | C24 | C25 | 59.9° | 65.9° |
| H23 | C23 | C24 | H24 | 178.9° | 175.3° |
| C43 | C24 | C25 | H24 | 124.6° | 119.9° |
| C24 | C43 | H431 | H432 | 117.7° | 121.3° |
| C24 | C43 | H431 | H433 | 121.1° | 121.3° |
| C24 | C43 | H432 | H433 | 125.3° | 121.4° |
| C43 | C24 | C25 | C26 | 66.2° | 50.2° |
| C43 | C24 | C25 | H25 | 55.0° | 72.6° |
| C25 | C24 | C43 | H431 | 167.7° | 155.1° |
| C25 | C24 | C43 | H432 | 67.0° | 35.2° |
| C25 | C24 | C43 | H433 | 58.3° | 84.9° |
| C24 | C25 | C26 | H25 | 122.3° | 123.0° |
| C24 | C25 | C26 | C44 | 62.5° | 57.0° |
| C24 | C25 | C26 | C27 | 177.3° | 178.4° |
| C24 | C25 | C26 | H26 | 55.4° | 60.0° |
| H24 | C24 | C43 | H431 | 70.6° | 34.9° |
| H24 | C24 | C43 | H432 | 54.6° | 85.1° |
| H24 | C24 | C43 | H433 | 179.9° | 154.9° |
| H24 | C24 | C25 | C26 | 58.3° | 69.8° |
| H24 | C24 | C25 | H25 | 179.5° | 167.5° |
| H431 | C43 | H432 | H433 | 109.4° | 117.3° |
| C25 | C26 | C44 | C27 | 120.2° | 123.6° |
| C25 | C26 | C44 | H26 | 117.8° | 115.9° |
| C25 | C26 | C27 | H26 | 118.0° | 117.0° |
| C25 | C26 | C44 | H441 | 54.7° | 51.9° |
| C25 | C26 | C44 | H442 | 180.0° | 68.0° |
| C25 | C26 | C44 | H443 | 54.8° | 171.0° |
| C25 | C26 | C27 | O27 | 62.1° | 54.7° |
| C25 | C26 | C27 | C28 | 177.9° | 178.9° |
| C25 | C26 | C27 | H27 | 61.8° | 60.1° |
| H25 | C25 | C26 | C44 | 175.2° | 180.0° |
| H25 | C25 | C26 | C27 | 55.1° | 55.4° |
| H25 | C25 | C26 | H26 | 66.9° | 63.0° |
| C44 | C26 | C27 | H26 | 118.1° | 120.1° |
| C26 | C44 | H441 | H442 | 127.3° | 121.8° |
| C26 | C44 | H441 | H443 | 116.4° | 121.9° |
| C26 | C44 | H442 | H443 | 125.2° | 123.0° |
| C44 | C26 | C27 | O27 | 173.9° | 177.6° |
| C44 | C26 | C27 | C28 | 58.2° | 58.2° |
| C44 | C26 | C27 | H27 | 62.1° | 62.9° |
| C27 | C26 | C44 | H441 | 65.5° | 175.4° |
| C27 | C26 | C44 | H442 | 59.8° | 55.6° |
| C27 | C26 | C44 | H443 | 175.0° | 65.5° |
| C26 | C27 | O27 | C28 | 119.9° | 128.1° |
| C26 | C27 | O27 | H27 | 120.1° | 115.9° |
| C26 | C27 | C28 | H27 | 120.4° | 121.1° |
| C26 | C27 | O27 | C53 | 136.3° | 64.1° |
| C26 | C27 | C28 | C45 | 178.6° | 61.1° |
| C26 | C27 | C28 | C29 | 54.9° | 175.0° |
| C26 | C27 | C28 | H28 | 58.9° | 58.1° |
| H26 | C26 | C44 | H441 | 172.6° | 64.0° |
| H26 | C26 | C44 | H442 | 62.2° | 176.1° |
| H26 | C26 | C44 | H443 | 63.1° | 55.1° |
| H26 | C26 | C27 | O27 | 55.9° | 62.3° |
| H26 | C26 | C27 | C28 | 59.9° | 61.9° |
| H26 | C26 | C27 | H27 | 179.8° | 177.0° |
| H441 | C44 | H442 | H443 | 109.5° | 115.5° |
| O27 | C27 | C28 | H27 | 123.9° | 114.9° |
| C27 | O27 | C53 | H531 | 54.7° | 8.2° |
| C27 | O27 | C53 | H532 | 180.0° | 112.5° |
| C27 | O27 | C53 | H533 | 54.7° | 127.8° |
| O27 | C27 | C28 | C45 | 65.7° | 174.9° |
| O27 | C27 | C28 | C29 | 60.8° | 51.0° |
| O27 | C27 | C28 | H28 | 174.5° | 65.8° |
| C28 | C27 | O27 | C53 | 103.7° | 64.0° |
| C27 | C28 | C45 | C29 | 130.0° | 123.1° |
| C27 | C28 | C45 | H28 | 115.3° | 119.4° |
| C27 | C28 | C29 | H28 | 114.2° | 117.3° |
| C27 | C28 | C45 | H451 | 54.7° | 176.5° |
| C27 | C28 | C45 | H452 | 180.0° | 55.3° |
| C27 | C28 | C45 | H453 | 54.8° | 65.0° |
| C27 | C28 | C29 | C30 | 176.2° | 65.9° |
| C27 | C28 | C29 | H291 | 51.0° | 55.0° |
| C27 | C28 | C29 | H292 | 58.5° | 171.2° |
| H27 | C27 | O27 | C53 | 16.3° | 180.0° |
| H27 | C27 | C28 | C45 | 58.2° | 60.0° |
| H27 | C27 | C28 | C29 | 175.3° | 63.9° |
| H27 | C27 | C28 | H28 | 61.5° | 179.2° |
| O27 | C53 | H531 | H532 | 127.6° | 120.5° |
| O27 | C53 | H531 | H533 | 116.2° | 119.3° |
| O27 | C53 | H532 | H533 | 125.2° | 119.4° |
| H531 | C53 | H532 | H533 | 109.5° | 120.2° |
| C45 | C28 | C29 | H28 | 119.6° | 117.7° |
| C28 | C45 | H451 | H452 | 124.0° | 123.2° |
| C28 | C45 | H451 | H453 | 118.0° | 121.3° |
| C28 | C45 | H452 | H453 | 125.2° | 122.3° |
| C45 | C28 | C29 | C30 | 57.6° | 59.1° |
| C45 | C28 | C29 | H291 | 177.2° | 180.0° |
| C45 | C28 | C29 | H292 | 67.7° | 63.9° |
| C29 | C28 | C45 | H451 | 75.2° | 53.3° |
| C29 | C28 | C45 | H452 | 50.0° | 67.8° |
| C29 | C28 | C45 | H453 | 175.3° | 171.9° |
| C28 | C29 | C30 | H291 | 125.3° | 121.1° |
| C28 | C29 | C30 | H292 | 125.3° | 123.5° |
| C28 | C29 | H291 | H292 | 117.6° | 118.6° |
| C28 | C29 | C30 | C31 | 167.1° | 178.9° |
| C28 | C29 | C30 | H301 | 67.6° | 59.2° |
| C28 | C29 | C30 | H302 | 41.9° | 60.7° |
| H28 | C28 | C45 | H451 | 170.0° | 64.1° |
| H28 | C28 | C45 | H452 | 64.7° | 174.8° |
| H28 | C28 | C45 | H453 | 60.5° | 54.4° |
| H28 | C28 | C29 | C30 | 62.0° | 176.8° |
| H28 | C28 | C29 | H291 | 63.2° | 62.3° |
| H28 | C28 | C29 | H292 | 172.7° | 53.8° |
| H451 | C45 | H452 | H453 | 109.5° | 114.6° |
| C30 | C29 | H291 | H292 | 117.6° | 117.4° |
| C29 | C30 | C31 | H301 | 125.3° | 121.7° |
| C29 | C30 | C31 | H302 | 125.3° | 121.2° |
| C29 | C30 | H301 | H302 | 118.3° | 120.4° |
| C29 | C30 | C31 | O31 | 5.5° | 1.2° |
| C29 | C30 | C31 | C32 | 176.3° | 178.3° |
| H291 | C29 | C30 | C31 | 41.9° | 60.0° |
| H291 | C29 | C30 | H301 | 167.1° | 179.7° |
| H291 | C29 | C30 | H302 | 83.4° | 60.4° |
| H292 | C29 | C30 | C31 | 67.6° | 55.5° |
| H292 | C29 | C30 | H301 | 57.7° | 64.2° |
| H292 | C29 | C30 | H302 | 167.1° | 175.8° |
| C31 | C30 | H301 | H302 | 118.2° | 116.7° |
| C30 | C31 | O31 | C32 | 177.7° | 179.5° |
| C30 | C31 | C32 | C46 | 135.2° | 86.1° |
| C30 | C31 | C32 | C33 | 109.7° | 148.0° |
| C30 | C31 | C32 | H32 | 11.5° | 30.0° |
| H301 | C30 | C31 | O31 | 130.8° | 120.5° |
| H301 | C30 | C31 | C32 | 51.0° | 60.0° |
| H302 | C30 | C31 | O31 | 119.8° | 122.4° |
| H302 | C30 | C31 | C32 | 58.4° | 57.1° |
| O31 | C31 | C32 | C46 | 42.8° | 94.4° |
| O31 | C31 | C32 | C33 | 72.3° | 31.5° |
| O31 | C31 | C32 | H32 | 166.5° | 149.5° |
| C31 | C32 | C46 | C33 | 117.6° | 123.2° |
| C31 | C32 | C46 | H32 | 121.5° | 115.5° |
| C31 | C32 | C33 | H32 | 121.9° | 116.3° |
| C31 | C32 | C46 | H461 | 54.7° | 65.3° |
| C31 | C32 | C46 | H462 | 180.0° | 54.0° |
| C31 | C32 | C46 | H463 | 54.7° | 173.5° |
| C31 | C32 | C33 | O33 | 58.8° | 63.0° |
| C31 | C32 | C33 | C34 | 173.7° | 58.8° |
| C31 | C32 | C33 | H33 | 65.3° | 180.0° |
| C46 | C32 | C33 | H32 | 123.8° | 120.2° |
| C32 | C46 | H461 | H462 | 120.8° | 121.3° |
| C32 | C46 | H461 | H463 | 119.6° | 122.9° |
| C32 | C46 | H462 | H463 | 125.3° | 121.6° |
| C46 | C32 | C33 | O33 | 173.0° | 60.5° |
| C46 | C32 | C33 | C34 | 72.1° | 177.7° |
| C46 | C32 | C33 | H33 | 48.9° | 56.5° |
| C33 | C32 | C46 | H461 | 172.3° | 57.9° |
| C33 | C32 | C46 | H462 | 62.4° | 177.3° |
| C33 | C32 | C46 | H463 | 62.8° | 63.3° |
| C32 | C33 | O33 | C34 | 116.1° | 122.9° |
| C32 | C33 | O33 | H33 | 123.1° | 118.1° |
| C32 | C33 | C34 | H33 | 123.9° | 121.1° |
| C32 | C33 | O33 | C54 | 153.2° | 178.1° |
| C32 | C33 | C34 | C35 | 46.9° | 61.1° |
| C32 | C33 | C34 | H341 | 78.4° | 179.1° |
| C32 | C33 | C34 | H342 | 172.1° | 61.6° |
| H32 | C32 | C46 | H461 | 66.8° | 179.1° |
| H32 | C32 | C46 | H462 | 58.5° | 61.5° |
| H32 | C32 | C46 | H463 | 176.2° | 58.0° |
| H32 | C32 | C33 | O33 | 63.1° | 179.4° |
| H32 | C32 | C33 | C34 | 51.8° | 57.5° |
| H32 | C32 | C33 | H33 | 172.7° | 63.7° |
| H461 | C46 | H462 | H463 | 109.4° | 116.2° |
| O33 | C33 | C34 | H33 | 124.7° | 117.8° |
| C33 | O33 | C54 | H541 | 54.7° | 115.3° |
| C33 | O33 | C54 | H542 | 180.0° | 5.5° |
| C33 | O33 | C54 | H543 | 54.7° | 125.1° |
| O33 | C33 | C34 | C35 | 64.6° | 177.8° |
| O33 | C33 | C34 | H341 | 170.1° | 58.0° |
| O33 | C33 | C34 | H342 | 60.7° | 59.5° |
| C34 | C33 | O33 | C54 | 90.7° | 59.0° |
| C33 | C34 | C35 | H341 | 125.3° | 120.3° |
| C33 | C34 | C35 | H342 | 125.3° | 123.2° |
| C33 | C34 | H341 | H342 | 115.3° | 119.0° |
| C33 | C34 | C35 | C36 | 68.0° | 179.7° |
| C33 | C34 | C35 | H351 | 57.3° | 57.0° |
| C33 | C34 | C35 | H352 | 166.8° | 60.3° |
| H33 | C33 | O33 | C54 | 30.1° | 60.0° |
| H33 | C33 | C34 | C35 | 170.8° | 60.0° |
| H33 | C33 | C34 | H341 | 45.5° | 59.8° |
| H33 | C33 | C34 | H342 | 64.0° | 177.2° |
| O33 | C54 | H541 | H542 | 124.6° | 120.5° |
| O33 | C54 | H541 | H543 | 117.7° | 119.3° |
| O33 | C54 | H542 | H543 | 125.3° | 119.4° |
| H541 | C54 | H542 | H543 | 109.5° | 120.2° |
| C35 | C34 | H341 | H342 | 115.3° | 117.6° |
| C34 | C35 | C36 | H351 | 125.3° | 124.0° |
| C34 | C35 | C36 | H352 | 125.3° | 121.5° |
| C34 | C35 | H351 | H352 | 131.5° | 119.6° |
| C34 | C35 | C36 | O2 | 90.0° | 153.8° |
| C34 | C35 | C36 | O3 | 90.0° | 26.0° |
| H341 | C34 | C35 | C36 | 166.8° | 60.1° |
| H341 | C34 | C35 | H351 | 68.0° | 177.3° |
| H341 | C34 | C35 | H352 | 41.5° | 59.9° |
| H342 | C34 | C35 | C36 | 57.3° | 56.5° |
| H342 | C34 | C35 | H351 | 177.5° | 66.2° |
| H342 | C34 | C35 | H352 | 68.0° | 176.5° |
| C36 | C35 | H351 | H352 | 131.5° | 115.1° |
| C35 | C36 | O2 | O3 | 90.0° | 179.8° |
| C35 | C36 | O2 | HO2 | 90.0° | 179.9° |
| H351 | C35 | C36 | O2 | 90.0° | 29.8° |
| H351 | C35 | C36 | O3 | 90.0° | 150.0° |
| H352 | C35 | C36 | O2 | 90.0° | 84.6° |
| H352 | C35 | C36 | O3 | 90.0° | 95.5° |
| HO2 | O2 | C36 | O3 | 90.0° | 0.0° |
