P3A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O43 | C42 | doub | 1.21Å | 1.22Å | |
| C42 | C44 | sing | 1.51Å | 1.52Å | |
| C42 | O41 | sing | 1.34Å | 1.46Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | H441 | sing | 1.09Å | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C45 | H452 | sing | 1.09Å | 1.11Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C46 | H461 | sing | 1.09Å | 1.11Å | |
| C46 | H462 | sing | 1.09Å | 1.12Å | |
| C47 | C48 | sing | 1.53Å | 1.53Å | |
| C47 | H471 | sing | 1.09Å | 1.11Å | |
| C47 | H472 | sing | 1.09Å | 1.11Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C48 | H481 | sing | 1.09Å | 1.11Å | |
| C48 | H482 | sing | 1.09Å | 1.11Å | |
| C49 | C50 | sing | 1.53Å | 1.53Å | |
| C49 | H491 | sing | 1.09Å | 1.11Å | |
| C49 | H492 | sing | 1.09Å | 1.11Å | |
| C50 | C51 | sing | 1.53Å | 1.52Å | |
| C50 | H501 | sing | 1.09Å | 1.12Å | |
| C50 | H502 | sing | 1.09Å | 1.12Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C51 | H511 | sing | 1.09Å | 1.12Å | |
| C51 | H512 | sing | 1.09Å | 1.11Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C52 | H521 | sing | 1.09Å | 1.12Å | |
| C52 | H522 | sing | 1.09Å | 1.12Å | |
| C53 | C54 | sing | 1.53Å | 1.52Å | |
| C53 | H531 | sing | 1.09Å | 1.12Å | |
| C53 | H532 | sing | 1.09Å | 1.12Å | |
| C54 | C55 | sing | 1.53Å | 1.52Å | |
| C54 | H541 | sing | 1.09Å | 1.11Å | |
| C54 | H542 | sing | 1.09Å | 1.12Å | |
| C55 | C56 | sing | 1.53Å | 1.51Å | |
| C55 | H551 | sing | 1.09Å | 1.11Å | |
| C55 | H552 | sing | 1.09Å | 1.11Å | |
| C56 | C57 | sing | 1.53Å | 1.33Å | |
| C56 | H561 | sing | 1.09Å | 1.12Å | |
| C56 | H562 | sing | 1.09Å | 1.12Å | |
| C57 | C58 | sing | 1.53Å | 1.52Å | |
| C57 | H571 | sing | 1.09Å | 1.11Å | |
| C57 | H572 | sing | 1.09Å | 1.11Å | |
| C58 | H581 | sing | 1.09Å | 1.11Å | |
| C58 | H582 | sing | 1.09Å | 1.12Å | |
| C58 | H583 | sing | 1.09Å | 1.12Å | |
| O41 | C40 | sing | 1.45Å | 1.43Å | |
| C40 | C38 | sing | 1.53Å | 1.53Å | |
| C40 | H401 | sing | 1.09Å | 1.11Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | O37 | sing | 1.45Å | 1.42Å | |
| C38 | H38 | sing | 1.09Å | 1.11Å | |
| C39 | O19 | sing | 1.43Å | 1.43Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| O19 | P16 | sing | 1.61Å | 1.62Å | |
| P16 | O17 | doub | 1.54Å | 1.51Å | |
| P16 | O18 | sing | 1.54Å | 1.51Å | |
| P16 | O15 | sing | 1.61Å | 1.61Å | |
| O15 | C14 | sing | 1.43Å | 1.44Å | |
| C14 | C6 | sing | 1.53Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C6 | O7 | sing | 1.43Å | 1.41Å | |
| C6 | C8 | sing | 1.53Å | 1.52Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C8 | O9 | sing | 1.43Å | 1.42Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| O9 | P10 | sing | 1.61Å | 1.61Å | |
| P10 | O12 | doub | 1.55Å | 1.52Å | |
| P10 | O13 | sing | 1.54Å | 1.50Å | |
| P10 | O11 | sing | 1.61Å | 1.62Å | |
| O11 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | O3 | sing | 1.43Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C4 | O5 | sing | 1.43Å | 1.41Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O37 | C21 | sing | 1.34Å | 1.45Å | |
| C21 | O20 | doub | 1.21Å | 1.22Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C29 | C30 | doub | 1.31Å | 1.34Å | |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | C31 | sing | 1.51Å | 1.51Å | |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C36 | H363 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O43 | C42 | C44 | 122.5° | 120.0° |
| O43 | C42 | O41 | 118.3° | 120.0° |
| C44 | C42 | O41 | 119.2° | 120.0° |
| C42 | C44 | C45 | 113.9° | 109.5° |
| C42 | C44 | H441 | 110.6° | 109.5° |
| C42 | C44 | H442 | 110.6° | 109.5° |
| C42 | O41 | C40 | 120.8° | 117.0° |
| C45 | C44 | H441 | 110.6° | 109.4° |
| C45 | C44 | H442 | 110.6° | 109.4° |
| C44 | C45 | C46 | 112.5° | 109.5° |
| C44 | C45 | H451 | 111.1° | 109.5° |
| C44 | C45 | H452 | 111.1° | 109.4° |
| H441 | C44 | H442 | 99.6° | 109.5° |
| C46 | C45 | H451 | 111.1° | 109.5° |
| C46 | C45 | H452 | 111.1° | 109.5° |
| C45 | C46 | C47 | 111.9° | 109.5° |
| C45 | C46 | H461 | 111.3° | 109.5° |
| C45 | C46 | H462 | 111.3° | 109.4° |
| H451 | C45 | H452 | 99.2° | 109.5° |
| C47 | C46 | H461 | 111.4° | 109.5° |
| C47 | C46 | H462 | 111.3° | 109.5° |
| C46 | C47 | C48 | 112.3° | 109.5° |
| C46 | C47 | H471 | 111.1° | 109.5° |
| C46 | C47 | H472 | 111.1° | 109.5° |
| H461 | C46 | H462 | 99.0° | 109.5° |
| C48 | C47 | H471 | 111.2° | 109.5° |
| C48 | C47 | H472 | 111.2° | 109.4° |
| C47 | C48 | C49 | 112.1° | 109.5° |
| C47 | C48 | H481 | 111.2° | 109.5° |
| C47 | C48 | H482 | 111.2° | 109.5° |
| H471 | C47 | H472 | 99.2° | 109.5° |
| C49 | C48 | H481 | 111.3° | 109.5° |
| C49 | C48 | H482 | 111.3° | 109.4° |
| C48 | C49 | C50 | 112.7° | 109.5° |
| C48 | C49 | H491 | 111.0° | 109.4° |
| C48 | C49 | H492 | 111.0° | 109.4° |
| H481 | C48 | H482 | 99.1° | 109.5° |
| C50 | C49 | H491 | 111.0° | 109.5° |
| C50 | C49 | H492 | 111.1° | 109.5° |
| C49 | C50 | C51 | 111.5° | 109.5° |
| C49 | C50 | H501 | 111.4° | 109.5° |
| C49 | C50 | H502 | 111.4° | 109.5° |
| H491 | C49 | H492 | 99.4° | 109.5° |
| C51 | C50 | H501 | 111.5° | 109.4° |
| C51 | C50 | H502 | 111.5° | 109.4° |
| C50 | C51 | C52 | 112.4° | 109.5° |
| C50 | C51 | H511 | 111.1° | 109.5° |
| C50 | C51 | H512 | 111.1° | 109.4° |
| H501 | C50 | H502 | 99.0° | 109.5° |
| C52 | C51 | H511 | 111.2° | 109.5° |
| C52 | C51 | H512 | 111.2° | 109.5° |
| C51 | C52 | C53 | 113.2° | 109.5° |
| C51 | C52 | H521 | 110.8° | 109.5° |
| C51 | C52 | H522 | 110.8° | 109.5° |
| H511 | C51 | H512 | 99.2° | 109.5° |
| C53 | C52 | H521 | 110.9° | 109.5° |
| C53 | C52 | H522 | 110.9° | 109.4° |
| C52 | C53 | C54 | 110.6° | 109.5° |
| C52 | C53 | H531 | 111.7° | 109.4° |
| C52 | C53 | H532 | 111.7° | 109.4° |
| H521 | C52 | H522 | 99.5° | 109.5° |
| C54 | C53 | H531 | 111.8° | 109.5° |
| C54 | C53 | H532 | 111.8° | 109.5° |
| C53 | C54 | C55 | 111.0° | 109.5° |
| C53 | C54 | H541 | 111.6° | 109.5° |
| C53 | C54 | H542 | 111.6° | 109.5° |
| H531 | C53 | H532 | 98.6° | 109.5° |
| C55 | C54 | H541 | 111.7° | 109.4° |
| C55 | C54 | H542 | 111.7° | 109.5° |
| C54 | C55 | C56 | 110.8° | 109.5° |
| C54 | C55 | H551 | 111.7° | 109.5° |
| C54 | C55 | H552 | 111.7° | 109.5° |
| H541 | C54 | H542 | 98.7° | 109.4° |
| C56 | C55 | H551 | 111.7° | 109.4° |
| C56 | C55 | H552 | 111.7° | 109.5° |
| C55 | C56 | C57 | 119.7° | 109.5° |
| C55 | C56 | H561 | 108.5° | 109.5° |
| C55 | C56 | H562 | 108.5° | 109.4° |
| H551 | C55 | H552 | 98.7° | 109.5° |
| C57 | C56 | H561 | 108.6° | 109.5° |
| C57 | C56 | H562 | 108.6° | 109.5° |
| C56 | C57 | C58 | 121.3° | 109.5° |
| C56 | C57 | H571 | 108.0° | 109.4° |
| C56 | C57 | H572 | 108.0° | 109.5° |
| H561 | C56 | H562 | 101.4° | 109.4° |
| C58 | C57 | H571 | 108.0° | 109.5° |
| C58 | C57 | H572 | 108.0° | 109.5° |
| C57 | C58 | H581 | 121.3° | 109.5° |
| C57 | C58 | H582 | 108.0° | 109.5° |
| C57 | C58 | H583 | 108.0° | 109.5° |
| H571 | C57 | H572 | 101.9° | 109.5° |
| H581 | C58 | H582 | 108.0° | 109.4° |
| H581 | C58 | H583 | 108.0° | 109.4° |
| H582 | C58 | H583 | 101.8° | 109.5° |
| O41 | C40 | C38 | 111.5° | 109.5° |
| O41 | C40 | H401 | 111.4° | 109.4° |
| O41 | C40 | H402 | 111.4° | 109.5° |
| C38 | C40 | H401 | 111.5° | 109.5° |
| C38 | C40 | H402 | 111.4° | 109.4° |
| C40 | C38 | C39 | 110.5° | 109.5° |
| C40 | C38 | O37 | 109.7° | 109.5° |
| C40 | C38 | H38 | 108.6° | 109.5° |
| H401 | C40 | H402 | 99.0° | 109.5° |
| C39 | C38 | O37 | 109.8° | 109.5° |
| C39 | C38 | H38 | 108.7° | 109.5° |
| C38 | C39 | O19 | 114.3° | 109.5° |
| C38 | C39 | H391 | 110.4° | 109.4° |
| C38 | C39 | H392 | 110.4° | 109.4° |
| O37 | C38 | H38 | 109.5° | 109.4° |
| C38 | O37 | C21 | 115.4° | 117.0° |
| O19 | C39 | H391 | 110.5° | 109.5° |
| O19 | C39 | H392 | 110.5° | 109.5° |
| C39 | O19 | P16 | 116.4° | 123.0° |
| H391 | C39 | H392 | 99.8° | 109.5° |
| O19 | P16 | O17 | 106.5° | 109.5° |
| O19 | P16 | O18 | 108.4° | 109.4° |
| O19 | P16 | O15 | 108.1° | 109.5° |
| O17 | P16 | O18 | 119.3° | 109.5° |
| O17 | P16 | O15 | 108.1° | 109.5° |
| O18 | P16 | O15 | 106.1° | 109.5° |
| P16 | O15 | C14 | 119.2° | 123.0° |
| O15 | C14 | C6 | 114.7° | 109.5° |
| O15 | C14 | H141 | 110.3° | 109.5° |
| O15 | C14 | H142 | 110.3° | 109.5° |
| C6 | C14 | H141 | 110.3° | 109.5° |
| C6 | C14 | H142 | 110.3° | 109.5° |
| C14 | C6 | O7 | 109.3° | 109.4° |
| C14 | C6 | C8 | 111.1° | 109.4° |
| C14 | C6 | H6 | 107.8° | 109.5° |
| H141 | C14 | H142 | 99.9° | 109.4° |
| O7 | C6 | C8 | 107.2° | 109.5° |
| O7 | C6 | H6 | 111.7° | 109.5° |
| C6 | O7 | HO7 | 109.2° | 114.0° |
| C8 | C6 | H6 | 109.9° | 109.5° |
| C6 | C8 | O9 | 108.6° | 109.5° |
| C6 | C8 | H81 | 112.6° | 109.5° |
| C6 | C8 | H82 | 112.6° | 109.5° |
| O9 | C8 | H81 | 112.5° | 109.4° |
| O9 | C8 | H82 | 112.6° | 109.5° |
| C8 | O9 | P10 | 121.9° | 123.0° |
| H81 | C8 | H82 | 97.9° | 109.5° |
| O9 | P10 | O12 | 109.3° | 109.5° |
| O9 | P10 | O13 | 107.8° | 109.5° |
| O9 | P10 | O11 | 103.3° | 109.5° |
| O12 | P10 | O13 | 120.8° | 109.4° |
| O12 | P10 | O11 | 104.4° | 109.5° |
| O13 | P10 | O11 | 109.9° | 109.5° |
| P10 | O11 | C1 | 121.4° | 123.0° |
| O11 | C1 | C2 | 112.0° | 109.5° |
| O11 | C1 | H11 | 111.3° | 109.5° |
| O11 | C1 | H12 | 111.3° | 109.5° |
| C2 | C1 | H11 | 111.3° | 109.4° |
| C2 | C1 | H12 | 111.3° | 109.5° |
| C1 | C2 | C4 | 108.6° | 109.5° |
| C1 | C2 | O3 | 111.0° | 109.5° |
| C1 | C2 | H2 | 108.7° | 109.4° |
| H11 | C1 | H12 | 99.1° | 109.5° |
| C4 | C2 | O3 | 108.6° | 109.5° |
| C4 | C2 | H2 | 111.1° | 109.5° |
| C2 | C4 | O5 | 109.9° | 109.5° |
| C2 | C4 | H41 | 112.0° | 109.5° |
| C2 | C4 | H42 | 112.0° | 109.4° |
| O3 | C2 | H2 | 108.7° | 109.5° |
| C2 | O3 | HO3 | 111.0° | 114.0° |
| O5 | C4 | H41 | 112.1° | 109.5° |
| O5 | C4 | H42 | 112.1° | 109.5° |
| C4 | O5 | HO5 | 109.8° | 114.0° |
| H41 | C4 | H42 | 98.4° | 109.5° |
| O37 | C21 | O20 | 119.5° | 120.0° |
| O37 | C21 | C22 | 120.0° | 120.0° |
| O20 | C21 | C22 | 120.5° | 120.0° |
| C21 | C22 | C23 | 112.4° | 109.5° |
| C21 | C22 | H221 | 111.1° | 109.4° |
| C21 | C22 | H222 | 111.1° | 109.5° |
| C23 | C22 | H221 | 111.1° | 109.5° |
| C23 | C22 | H222 | 111.1° | 109.5° |
| C22 | C23 | C24 | 112.1° | 109.5° |
| C22 | C23 | H231 | 111.2° | 109.5° |
| C22 | C23 | H232 | 111.2° | 109.4° |
| H221 | C22 | H222 | 99.3° | 109.4° |
| C24 | C23 | H231 | 111.2° | 109.5° |
| C24 | C23 | H232 | 111.3° | 109.4° |
| C23 | C24 | C25 | 111.7° | 109.5° |
| C23 | C24 | H241 | 111.3° | 109.5° |
| C23 | C24 | H242 | 111.3° | 109.4° |
| H231 | C23 | H232 | 99.1° | 109.5° |
| C25 | C24 | H241 | 111.4° | 109.5° |
| C25 | C24 | H242 | 111.4° | 109.5° |
| C24 | C25 | C26 | 112.4° | 109.5° |
| C24 | C25 | H251 | 111.1° | 109.4° |
| C24 | C25 | H252 | 111.1° | 109.5° |
| H241 | C24 | H242 | 98.9° | 109.5° |
| C26 | C25 | H251 | 111.2° | 109.5° |
| C26 | C25 | H252 | 111.2° | 109.5° |
| C25 | C26 | C27 | 109.4° | 109.5° |
| C25 | C26 | H261 | 112.2° | 109.5° |
| C25 | C26 | H262 | 112.3° | 109.5° |
| H251 | C25 | H252 | 99.2° | 109.5° |
| C27 | C26 | H261 | 112.3° | 109.5° |
| C27 | C26 | H262 | 112.3° | 109.5° |
| C26 | C27 | C28 | 112.6° | 109.5° |
| C26 | C27 | H271 | 111.0° | 109.4° |
| C26 | C27 | H272 | 111.0° | 109.5° |
| H261 | C26 | H262 | 98.2° | 109.5° |
| C28 | C27 | H271 | 111.1° | 109.4° |
| C28 | C27 | H272 | 111.1° | 109.5° |
| C27 | C28 | C29 | 111.7° | 109.5° |
| C27 | C28 | H281 | 111.4° | 109.4° |
| C27 | C28 | H282 | 111.4° | 109.5° |
| H271 | C27 | H272 | 99.3° | 109.5° |
| C29 | C28 | H281 | 111.4° | 109.5° |
| C29 | C28 | H282 | 111.4° | 109.5° |
| C28 | C29 | C30 | 122.8° | 120.0° |
| C28 | C29 | H29 | 125.0° | 120.0° |
| H281 | C28 | H282 | 99.0° | 109.4° |
| C30 | C29 | H29 | 112.1° | 120.0° |
| C29 | C30 | C31 | 122.4° | 120.0° |
| C29 | C30 | H30 | 112.4° | 120.0° |
| C31 | C30 | H30 | 125.2° | 120.0° |
| C30 | C31 | C32 | 110.6° | 109.5° |
| C30 | C31 | H311 | 111.8° | 109.4° |
| C30 | C31 | H312 | 111.8° | 109.5° |
| C32 | C31 | H311 | 111.8° | 109.5° |
| C32 | C31 | H312 | 111.8° | 109.5° |
| C31 | C32 | C33 | 109.7° | 109.5° |
| C31 | C32 | H321 | 112.1° | 109.5° |
| C31 | C32 | H322 | 112.1° | 109.5° |
| H311 | C31 | H312 | 98.6° | 109.5° |
| C33 | C32 | H321 | 112.1° | 109.4° |
| C33 | C32 | H322 | 112.1° | 109.5° |
| C32 | C33 | C34 | 110.9° | 109.5° |
| C32 | C33 | H331 | 111.7° | 109.5° |
| C32 | C33 | H332 | 111.7° | 109.5° |
| H321 | C32 | H322 | 98.3° | 109.4° |
| C34 | C33 | H331 | 111.7° | 109.5° |
| C34 | C33 | H332 | 111.6° | 109.5° |
| C33 | C34 | C35 | 111.8° | 109.5° |
| C33 | C34 | H341 | 111.3° | 109.5° |
| C33 | C34 | H342 | 111.3° | 109.5° |
| H331 | C33 | H332 | 98.7° | 109.4° |
| C35 | C34 | H341 | 111.4° | 109.5° |
| C35 | C34 | H342 | 111.4° | 109.5° |
| C34 | C35 | C36 | 110.7° | 109.5° |
| C34 | C35 | H351 | 111.7° | 109.4° |
| C34 | C35 | H352 | 111.7° | 109.5° |
| H341 | C34 | H342 | 99.0° | 109.5° |
| C36 | C35 | H351 | 111.8° | 109.5° |
| C36 | C35 | H352 | 111.7° | 109.5° |
| C35 | C36 | H361 | 110.7° | 109.5° |
| C35 | C36 | H362 | 111.8° | 109.5° |
| C35 | C36 | H363 | 111.8° | 109.5° |
| H351 | C35 | H352 | 98.7° | 109.5° |
| H361 | C36 | H362 | 111.7° | 109.4° |
| H361 | C36 | H363 | 111.8° | 109.5° |
| H362 | C36 | H363 | 98.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O43 | C42 | C44 | O41 | 179.8° | 179.7° |
| O43 | C42 | C44 | C45 | 3.4° | 0.0° |
| O43 | C42 | C44 | H441 | 128.7° | 120.0° |
| O43 | C42 | C44 | H442 | 121.9° | 120.0° |
| O43 | C42 | O41 | C40 | 31.3° | 0.0° |
| C42 | C44 | C45 | H441 | 125.3° | 120.0° |
| C42 | C44 | C45 | H442 | 125.3° | 120.0° |
| C42 | C44 | H441 | H442 | 116.4° | 120.0° |
| C42 | C44 | C45 | C46 | 91.9° | 180.0° |
| C42 | C44 | C45 | H451 | 142.8° | 60.0° |
| C42 | C44 | C45 | H452 | 33.4° | 60.0° |
| C44 | C42 | O41 | C40 | 148.5° | 179.7° |
| O41 | C42 | C44 | C45 | 176.4° | 179.7° |
| O41 | C42 | C44 | H441 | 51.1° | 59.7° |
| O41 | C42 | C44 | H442 | 58.3° | 60.3° |
| C42 | O41 | C40 | C38 | 73.5° | 180.0° |
| C42 | O41 | C40 | H401 | 51.8° | 60.0° |
| C42 | O41 | C40 | H402 | 161.3° | 60.0° |
| C45 | C44 | H441 | H442 | 116.4° | 120.0° |
| C44 | C45 | C46 | H451 | 125.3° | 120.0° |
| C44 | C45 | C46 | H452 | 125.3° | 120.0° |
| C44 | C45 | H451 | H452 | 117.0° | 120.0° |
| C44 | C45 | C46 | C47 | 164.0° | 180.0° |
| C44 | C45 | C46 | H461 | 38.7° | 60.0° |
| C44 | C45 | C46 | H462 | 70.7° | 60.0° |
| H441 | C44 | C45 | C46 | 33.4° | 60.0° |
| H441 | C44 | C45 | H451 | 91.9° | 180.0° |
| H441 | C44 | C45 | H452 | 158.7° | 60.0° |
| H442 | C44 | C45 | C46 | 142.8° | 60.0° |
| H442 | C44 | C45 | H451 | 17.5° | 60.0° |
| H442 | C44 | C45 | H452 | 91.9° | NaN° |
| C46 | C45 | H451 | H452 | 117.0° | 120.0° |
| C45 | C46 | C47 | H461 | 125.3° | 120.0° |
| C45 | C46 | C47 | H462 | 125.3° | 120.0° |
| C45 | C46 | H461 | H462 | 117.2° | 119.9° |
| C45 | C46 | C47 | C48 | 177.2° | 180.0° |
| C45 | C46 | C47 | H471 | 57.6° | 60.0° |
| C45 | C46 | C47 | H472 | 51.9° | 60.0° |
| H451 | C45 | C46 | C47 | 70.7° | 59.9° |
| H451 | C45 | C46 | H461 | 164.0° | 180.0° |
| H451 | C45 | C46 | H462 | 54.6° | 60.0° |
| H452 | C45 | C46 | C47 | 38.7° | 60.0° |
| H452 | C45 | C46 | H461 | 86.6° | 60.0° |
| H452 | C45 | C46 | H462 | 164.0° | 180.0° |
| C47 | C46 | H461 | H462 | 117.2° | 120.0° |
| C46 | C47 | C48 | H471 | 125.2° | 120.1° |
| C46 | C47 | C48 | H472 | 125.2° | 120.0° |
| C46 | C47 | H471 | H472 | 117.0° | 120.0° |
| C46 | C47 | C48 | C49 | 145.9° | 180.0° |
| C46 | C47 | C48 | H481 | 20.7° | 59.9° |
| C46 | C47 | C48 | H482 | 88.8° | 60.0° |
| H461 | C46 | C47 | C48 | 51.9° | 60.0° |
| H461 | C46 | C47 | H471 | 177.1° | NaN° |
| H461 | C46 | C47 | H472 | 73.4° | 60.0° |
| H462 | C46 | C47 | C48 | 57.6° | 60.0° |
| H462 | C46 | C47 | H471 | 67.7° | 60.0° |
| H462 | C46 | C47 | H472 | 177.2° | 180.0° |
| C48 | C47 | H471 | H472 | 117.1° | 119.9° |
| C47 | C48 | C49 | H481 | 125.2° | 120.0° |
| C47 | C48 | C49 | H482 | 125.2° | 120.0° |
| C47 | C48 | H481 | H482 | 117.1° | 120.0° |
| C47 | C48 | C49 | C50 | 165.1° | 180.0° |
| C47 | C48 | C49 | H491 | 69.7° | 60.0° |
| C47 | C48 | C49 | H492 | 39.8° | 60.0° |
| H471 | C47 | C48 | C49 | 88.8° | 60.0° |
| H471 | C47 | C48 | H481 | 145.9° | 180.0° |
| H471 | C47 | C48 | H482 | 36.4° | 60.0° |
| H472 | C47 | C48 | C49 | 20.7° | 60.0° |
| H472 | C47 | C48 | H481 | 104.6° | 60.0° |
| H472 | C47 | C48 | H482 | 146.0° | 180.0° |
| C49 | C48 | H481 | H482 | 117.2° | 120.0° |
| C48 | C49 | C50 | H491 | 125.2° | 120.0° |
| C48 | C49 | C50 | H492 | 125.2° | 120.0° |
| C48 | C49 | H491 | H492 | 116.9° | 120.0° |
| C48 | C49 | C50 | C51 | 88.5° | NaN° |
| C48 | C49 | C50 | H501 | 146.2° | 60.0° |
| C48 | C49 | C50 | H502 | 36.7° | 60.0° |
| H481 | C48 | C49 | C50 | 39.8° | 60.0° |
| H481 | C48 | C49 | H491 | 165.1° | 180.0° |
| H481 | C48 | C49 | H492 | 85.4° | 60.0° |
| H482 | C48 | C49 | C50 | 69.7° | 60.0° |
| H482 | C48 | C49 | H491 | 55.6° | 60.0° |
| H482 | C48 | C49 | H492 | 165.1° | 180.0° |
| C50 | C49 | H491 | H492 | 117.0° | 120.0° |
| C49 | C50 | C51 | H501 | 125.2° | 120.0° |
| C49 | C50 | C51 | H502 | 125.2° | 120.0° |
| C49 | C50 | H501 | H502 | 117.3° | 120.0° |
| C49 | C50 | C51 | C52 | 145.5° | 180.0° |
| C49 | C50 | C51 | H511 | 20.2° | 60.0° |
| C49 | C50 | C51 | H512 | 89.2° | 60.0° |
| H491 | C49 | C50 | C51 | 36.7° | 60.0° |
| H491 | C49 | C50 | H501 | 88.5° | 180.0° |
| H491 | C49 | C50 | H502 | 161.9° | 60.0° |
| H492 | C49 | C50 | C51 | 146.3° | 60.0° |
| H492 | C49 | C50 | H501 | 21.0° | 60.0° |
| H492 | C49 | C50 | H502 | 88.5° | 180.0° |
| C51 | C50 | H501 | H502 | 117.4° | 120.0° |
| C50 | C51 | C52 | H511 | 125.2° | 120.0° |
| C50 | C51 | C52 | H512 | 125.3° | 120.0° |
| C50 | C51 | H511 | H512 | 117.0° | 120.0° |
| C50 | C51 | C52 | C53 | 77.0° | 180.0° |
| C50 | C51 | C52 | H521 | 48.3° | 60.0° |
| C50 | C51 | C52 | H522 | 157.7° | 60.0° |
| H501 | C50 | C51 | C52 | 89.2° | 60.0° |
| H501 | C50 | C51 | H511 | 145.5° | 180.0° |
| H501 | C50 | C51 | H512 | 36.0° | 60.0° |
| H502 | C50 | C51 | C52 | 20.3° | 60.0° |
| H502 | C50 | C51 | H511 | 105.0° | 60.0° |
| H502 | C50 | C51 | H512 | 145.6° | 180.0° |
| C52 | C51 | H511 | H512 | 117.1° | 120.0° |
| C51 | C52 | C53 | H521 | 125.2° | 120.0° |
| C51 | C52 | C53 | H522 | 125.3° | 120.0° |
| C51 | C52 | H521 | H522 | 116.6° | 120.0° |
| C51 | C52 | C53 | C54 | 137.2° | 180.0° |
| C51 | C52 | C53 | H531 | 11.9° | 59.9° |
| C51 | C52 | C53 | H532 | 97.6° | 60.0° |
| H511 | C51 | C52 | C53 | 157.8° | 60.0° |
| H511 | C51 | C52 | H521 | 77.0° | 180.0° |
| H511 | C51 | C52 | H522 | 32.5° | 60.0° |
| H512 | C51 | C52 | C53 | 48.3° | 60.0° |
| H512 | C51 | C52 | H521 | 173.5° | 60.0° |
| H512 | C51 | C52 | H522 | 77.0° | 180.0° |
| C53 | C52 | H521 | H522 | 116.8° | 120.0° |
| C52 | C53 | C54 | H531 | 125.2° | 120.0° |
| C52 | C53 | C54 | H532 | 125.2° | 119.9° |
| C52 | C53 | H531 | H532 | 117.6° | 119.9° |
| C52 | C53 | C54 | C55 | 177.4° | 180.0° |
| C52 | C53 | C54 | H541 | 57.2° | 60.0° |
| C52 | C53 | C54 | H542 | 52.2° | 60.0° |
| H521 | C52 | C53 | C54 | 97.6° | 60.0° |
| H521 | C52 | C53 | H531 | 137.1° | 180.0° |
| H521 | C52 | C53 | H532 | 27.7° | 60.0° |
| H522 | C52 | C53 | C54 | 11.9° | 60.0° |
| H522 | C52 | C53 | H531 | 113.4° | 60.1° |
| H522 | C52 | C53 | H532 | 137.2° | 180.0° |
| C54 | C53 | H531 | H532 | 117.8° | 120.1° |
| C53 | C54 | C55 | H541 | 125.3° | 120.0° |
| C53 | C54 | C55 | H542 | 125.2° | 120.0° |
| C53 | C54 | H541 | H542 | 117.5° | 120.0° |
| C53 | C54 | C55 | C56 | 79.5° | 180.0° |
| C53 | C54 | C55 | H551 | 155.3° | 60.0° |
| C53 | C54 | C55 | H552 | 45.8° | 60.0° |
| H531 | C53 | C54 | C55 | 52.2° | 60.0° |
| H531 | C53 | C54 | H541 | 177.5° | 180.0° |
| H531 | C53 | C54 | H542 | 73.0° | 60.0° |
| H532 | C53 | C54 | C55 | 57.3° | 60.0° |
| H532 | C53 | C54 | H541 | 68.0° | 60.0° |
| H532 | C53 | C54 | H542 | 177.4° | 180.0° |
| C55 | C54 | H541 | H542 | 117.6° | 120.0° |
| C54 | C55 | C56 | H551 | 125.2° | 120.0° |
| C54 | C55 | C56 | H552 | 125.2° | 120.0° |
| C54 | C55 | H551 | H552 | 117.6° | 120.0° |
| C54 | C55 | C56 | C57 | 165.4° | 180.0° |
| C54 | C55 | C56 | H561 | 69.3° | 60.0° |
| C54 | C55 | C56 | H562 | 40.1° | 59.9° |
| H541 | C54 | C55 | C56 | 45.8° | 60.0° |
| H541 | C54 | C55 | H551 | 79.5° | 179.9° |
| H541 | C54 | C55 | H552 | 171.0° | 60.1° |
| H542 | C54 | C55 | C56 | 155.3° | 59.9° |
| H542 | C54 | C55 | H551 | 30.0° | 60.0° |
| H542 | C54 | C55 | H552 | 79.5° | 180.0° |
| C56 | C55 | H551 | H552 | 117.7° | 120.0° |
| C55 | C56 | C57 | H561 | 125.3° | 120.0° |
| C55 | C56 | C57 | H562 | 125.3° | 120.0° |
| C55 | C56 | H561 | H562 | 114.2° | 119.9° |
| C55 | C56 | C57 | C58 | 179.9° | 180.0° |
| C55 | C56 | C57 | H571 | 54.6° | 60.0° |
| C55 | C56 | C57 | H572 | 54.9° | 59.9° |
| H551 | C55 | C56 | C57 | 40.2° | 60.0° |
| H551 | C55 | C56 | H561 | 165.5° | 180.0° |
| H551 | C55 | C56 | H562 | 85.1° | 60.1° |
| H552 | C55 | C56 | C57 | 69.4° | 60.0° |
| H552 | C55 | C56 | H561 | 55.9° | 60.1° |
| H552 | C55 | C56 | H562 | 165.3° | 180.0° |
| C57 | C56 | H561 | H562 | 114.3° | 120.0° |
| C56 | C57 | C58 | H571 | 125.3° | 119.9° |
| C56 | C57 | C58 | H572 | 125.2° | 120.0° |
| C56 | C57 | H571 | H572 | 113.6° | 120.0° |
| C56 | C57 | C58 | H581 | 180.0° | 60.0° |
| C56 | C57 | C58 | H582 | 54.7° | 179.9° |
| C56 | C57 | C58 | H583 | 54.7° | 60.0° |
| H561 | C56 | C57 | C58 | 54.8° | 60.0° |
| H561 | C56 | C57 | H571 | 179.9° | 180.0° |
| H561 | C56 | C57 | H572 | 70.4° | 60.1° |
| H562 | C56 | C57 | C58 | 54.6° | 60.0° |
| H562 | C56 | C57 | H571 | 70.7° | 60.0° |
| H562 | C56 | C57 | H572 | 179.8° | 180.0° |
| C58 | C57 | H571 | H572 | 113.6° | 120.0° |
| C57 | C58 | H581 | H582 | 125.3° | 120.0° |
| C57 | C58 | H581 | H583 | 125.3° | 120.0° |
| C57 | C58 | H582 | H583 | 113.6° | 120.1° |
| H571 | C57 | C58 | H581 | 54.8° | 59.9° |
| H571 | C57 | C58 | H582 | 180.0° | 60.0° |
| H571 | C57 | C58 | H583 | 70.5° | 179.9° |
| H572 | C57 | C58 | H581 | 54.8° | 180.0° |
| H572 | C57 | C58 | H582 | 70.5° | 60.0° |
| H572 | C57 | C58 | H583 | 179.9° | 60.1° |
| H581 | C58 | H582 | H583 | 113.6° | 119.9° |
| O41 | C40 | C38 | H401 | 125.3° | 120.0° |
| O41 | C40 | C38 | H402 | 125.2° | 120.0° |
| O41 | C40 | H401 | H402 | 117.3° | 120.0° |
| O41 | C40 | C38 | C39 | 165.8° | 55.0° |
| O41 | C40 | C38 | O37 | 73.0° | 65.0° |
| O41 | C40 | C38 | H38 | 46.6° | 175.0° |
| C38 | C40 | H401 | H402 | 117.4° | 120.0° |
| C40 | C38 | C39 | O37 | 121.2° | 120.0° |
| C40 | C38 | C39 | H38 | 119.1° | 120.0° |
| C40 | C38 | O37 | H38 | 119.2° | 120.0° |
| C40 | C38 | C39 | O19 | 72.2° | 55.0° |
| C40 | C38 | C39 | H391 | 53.1° | 65.0° |
| C40 | C38 | C39 | H392 | 162.5° | 175.0° |
| C40 | C38 | O37 | C21 | 153.3° | 150.1° |
| H401 | C40 | C38 | C39 | 68.9° | 65.0° |
| H401 | C40 | C38 | O37 | 52.2° | 175.0° |
| H401 | C40 | C38 | H38 | 171.9° | 55.0° |
| H402 | C40 | C38 | C39 | 40.6° | 175.0° |
| H402 | C40 | C38 | O37 | 161.8° | 55.0° |
| H402 | C40 | C38 | H38 | 78.6° | 65.0° |
| C39 | C38 | O37 | H38 | 119.2° | 120.0° |
| C38 | C39 | O19 | H391 | 125.3° | 120.0° |
| C38 | C39 | O19 | H392 | 125.3° | 120.0° |
| C38 | C39 | H391 | H392 | 116.3° | 119.9° |
| C38 | C39 | O19 | P16 | 176.3° | 180.0° |
| C39 | C38 | O37 | C21 | 85.0° | 89.9° |
| O37 | C38 | C39 | O19 | 48.9° | 65.0° |
| O37 | C38 | C39 | H391 | 174.3° | 175.0° |
| O37 | C38 | C39 | H392 | 76.3° | 55.0° |
| C38 | O37 | C21 | O20 | 44.6° | 0.1° |
| C38 | O37 | C21 | C22 | 135.6° | 180.0° |
| H38 | C38 | C39 | O19 | 168.6° | 175.0° |
| H38 | C38 | C39 | H391 | 66.0° | 55.0° |
| H38 | C38 | C39 | H392 | 43.4° | 65.0° |
| H38 | C38 | O37 | C21 | 34.2° | 30.1° |
| O19 | C39 | H391 | H392 | 116.3° | 120.1° |
| C39 | O19 | P16 | O17 | 57.9° | 55.0° |
| C39 | O19 | P16 | O18 | 71.6° | 65.0° |
| C39 | O19 | P16 | O15 | 173.9° | 175.0° |
| H391 | C39 | O19 | P16 | 58.4° | 60.0° |
| H392 | C39 | O19 | P16 | 51.0° | 60.0° |
| O19 | P16 | O17 | O18 | 123.0° | 120.0° |
| O19 | P16 | O17 | O15 | 115.9° | 120.0° |
| O19 | P16 | O18 | O15 | 115.8° | 120.0° |
| O19 | P16 | O15 | C14 | 138.4° | 175.0° |
| O17 | P16 | O18 | O15 | 122.1° | 120.0° |
| O17 | P16 | O15 | C14 | 23.5° | 55.0° |
| O18 | P16 | O15 | C14 | 105.5° | 65.0° |
| P16 | O15 | C14 | C6 | 110.3° | 180.0° |
| P16 | O15 | C14 | H141 | 14.9° | 60.0° |
| P16 | O15 | C14 | H142 | 124.4° | 60.0° |
| O15 | C14 | C6 | H141 | 125.2° | 120.0° |
| O15 | C14 | C6 | H142 | 125.3° | 120.0° |
| O15 | C14 | H141 | H142 | 116.1° | 120.0° |
| O15 | C14 | C6 | O7 | 99.1° | 65.0° |
| O15 | C14 | C6 | C8 | 142.8° | 175.0° |
| O15 | C14 | C6 | H6 | 22.4° | 55.0° |
| C6 | C14 | H141 | H142 | 116.2° | 120.0° |
| C14 | C6 | O7 | C8 | 120.5° | 119.9° |
| C14 | C6 | O7 | H6 | 119.2° | 120.0° |
| C14 | C6 | C8 | H6 | 119.2° | 120.0° |
| C14 | C6 | O7 | HO7 | 180.0° | 60.1° |
| C14 | C6 | C8 | O9 | 156.4° | 175.0° |
| C14 | C6 | C8 | H81 | 31.1° | 55.0° |
| C14 | C6 | C8 | H82 | 78.3° | 65.0° |
| H141 | C14 | C6 | O7 | 135.7° | 175.0° |
| H141 | C14 | C6 | C8 | 17.6° | 55.0° |
| H141 | C14 | C6 | H6 | 102.8° | 65.0° |
| H142 | C14 | C6 | O7 | 26.2° | 55.0° |
| H142 | C14 | C6 | C8 | 91.9° | 65.0° |
| H142 | C14 | C6 | H6 | 147.7° | 175.0° |
| O7 | C6 | C8 | H6 | 121.5° | 120.1° |
| O7 | C6 | C8 | O9 | 84.3° | 65.1° |
| O7 | C6 | C8 | H81 | 150.4° | 175.0° |
| O7 | C6 | C8 | H82 | 41.0° | 54.9° |
| C8 | C6 | O7 | HO7 | 59.6° | 59.9° |
| C6 | C8 | O9 | H81 | 125.3° | 120.0° |
| C6 | C8 | O9 | H82 | 125.3° | 120.1° |
| C6 | C8 | H81 | H82 | 118.5° | 120.1° |
| C6 | C8 | O9 | P10 | 72.4° | 180.0° |
| H6 | C6 | O7 | HO7 | 60.8° | 180.0° |
| H6 | C6 | C8 | O9 | 37.2° | 55.0° |
| H6 | C6 | C8 | H81 | 88.0° | 64.9° |
| H6 | C6 | C8 | H82 | 162.5° | 175.0° |
| O9 | C8 | H81 | H82 | 118.5° | 120.0° |
| C8 | O9 | P10 | O12 | 95.6° | 55.0° |
| C8 | O9 | P10 | O13 | 37.3° | 65.0° |
| C8 | O9 | P10 | O11 | 153.7° | 175.0° |
| H81 | C8 | O9 | P10 | 162.3° | 60.0° |
| H82 | C8 | O9 | P10 | 52.9° | 60.0° |
| O9 | P10 | O12 | O13 | 125.9° | 120.0° |
| O9 | P10 | O12 | O11 | 109.9° | 120.0° |
| O9 | P10 | O13 | O11 | 111.9° | 120.0° |
| O9 | P10 | O11 | C1 | 149.4° | 175.0° |
| O12 | P10 | O13 | O11 | 121.5° | 120.0° |
| O12 | P10 | O11 | C1 | 96.3° | 55.0° |
| O13 | P10 | O11 | C1 | 34.6° | 65.0° |
| P10 | O11 | C1 | C2 | 81.4° | 180.0° |
| P10 | O11 | C1 | H11 | 153.4° | 60.1° |
| P10 | O11 | C1 | H12 | 43.9° | 60.0° |
| O11 | C1 | C2 | H11 | 125.2° | 120.0° |
| O11 | C1 | C2 | H12 | 125.2° | 120.0° |
| O11 | C1 | H11 | H12 | 117.2° | 120.0° |
| O11 | C1 | C2 | C4 | 141.2° | 175.0° |
| O11 | C1 | C2 | O3 | 99.4° | 65.0° |
| O11 | C1 | C2 | H2 | 20.1° | 55.0° |
| C2 | C1 | H11 | H12 | 117.2° | 120.0° |
| C1 | C2 | C4 | O3 | 120.9° | 120.1° |
| C1 | C2 | C4 | H2 | 119.6° | 120.0° |
| C1 | C2 | O3 | H2 | 119.6° | 120.0° |
| C1 | C2 | C4 | O5 | 78.7° | 175.0° |
| C1 | C2 | C4 | H41 | 156.1° | 65.0° |
| C1 | C2 | C4 | H42 | 46.6° | 55.0° |
| C1 | C2 | O3 | HO3 | 179.9° | 60.0° |
| H11 | C1 | C2 | C4 | 93.6° | 65.0° |
| H11 | C1 | C2 | O3 | 25.8° | 55.0° |
| H11 | C1 | C2 | H2 | 145.4° | 175.0° |
| H12 | C1 | C2 | C4 | 16.0° | 55.0° |
| H12 | C1 | C2 | O3 | 135.3° | 175.0° |
| H12 | C1 | C2 | H2 | 105.1° | 65.0° |
| C4 | C2 | O3 | H2 | 121.0° | 120.0° |
| C2 | C4 | O5 | H41 | 125.2° | 120.0° |
| C2 | C4 | O5 | H42 | 125.3° | 120.0° |
| C2 | C4 | H41 | H42 | 117.9° | 120.0° |
| C2 | C4 | O5 | HO5 | 180.0° | 180.0° |
| C4 | C2 | O3 | HO3 | 60.7° | 60.1° |
| O3 | C2 | C4 | O5 | 160.5° | 65.0° |
| O3 | C2 | C4 | H41 | 35.2° | 55.1° |
| O3 | C2 | C4 | H42 | 74.2° | 175.0° |
| H2 | C2 | C4 | O5 | 40.9° | 55.0° |
| H2 | C2 | C4 | H41 | 84.3° | 175.0° |
| H2 | C2 | C4 | H42 | 166.2° | 65.0° |
| H2 | C2 | O3 | HO3 | 60.4° | 179.9° |
| O5 | C4 | H41 | H42 | 118.0° | 120.0° |
| H41 | C4 | O5 | HO5 | 54.8° | 60.0° |
| H42 | C4 | O5 | HO5 | 54.8° | 60.0° |
| O37 | C21 | O20 | C22 | 179.8° | 179.9° |
| O37 | C21 | C22 | C23 | 109.8° | 180.0° |
| O37 | C21 | C22 | H221 | 15.5° | 59.9° |
| O37 | C21 | C22 | H222 | 125.0° | 60.0° |
| O20 | C21 | C22 | C23 | 70.0° | 0.1° |
| O20 | C21 | C22 | H221 | 164.7° | 120.0° |
| O20 | C21 | C22 | H222 | 55.3° | 120.1° |
| C21 | C22 | C23 | H221 | 125.2° | 120.0° |
| C21 | C22 | C23 | H222 | 125.2° | 120.0° |
| C21 | C22 | H221 | H222 | 117.0° | 119.9° |
| C21 | C22 | C23 | C24 | 88.6° | 180.0° |
| C21 | C22 | C23 | H231 | 36.6° | 60.0° |
| C21 | C22 | C23 | H232 | 146.1° | 60.0° |
| C23 | C22 | H221 | H222 | 117.1° | 120.1° |
| C22 | C23 | C24 | H231 | 125.2° | 120.1° |
| C22 | C23 | C24 | H232 | 125.3° | 120.0° |
| C22 | C23 | H231 | H232 | 117.1° | 120.0° |
| C22 | C23 | C24 | C25 | 60.3° | 180.0° |
| C22 | C23 | C24 | H241 | 65.0° | 60.0° |
| C22 | C23 | C24 | H242 | 174.4° | 60.0° |
| H221 | C22 | C23 | C24 | 146.2° | 60.0° |
| H221 | C22 | C23 | H231 | 88.6° | 179.9° |
| H221 | C22 | C23 | H232 | 20.9° | 60.0° |
| H222 | C22 | C23 | C24 | 36.6° | 60.0° |
| H222 | C22 | C23 | H231 | 161.8° | 60.0° |
| H222 | C22 | C23 | H232 | 88.7° | 180.0° |
| C24 | C23 | H231 | H232 | 117.2° | 120.0° |
| C23 | C24 | C25 | H241 | 125.3° | 120.0° |
| C23 | C24 | C25 | H242 | 125.3° | 119.9° |
| C23 | C24 | H241 | H242 | 117.2° | 120.0° |
| C23 | C24 | C25 | C26 | 144.0° | 180.0° |
| C23 | C24 | C25 | H251 | 18.6° | 60.0° |
| C23 | C24 | C25 | H252 | 90.8° | 60.0° |
| H231 | C23 | C24 | C25 | 174.5° | 59.9° |
| H231 | C23 | C24 | H241 | 60.2° | 179.9° |
| H231 | C23 | C24 | H242 | 49.1° | 60.0° |
| H232 | C23 | C24 | C25 | 65.0° | 60.0° |
| H232 | C23 | C24 | H241 | 169.7° | 59.9° |
| H232 | C23 | C24 | H242 | 60.4° | NaN° |
| C25 | C24 | H241 | H242 | 117.3° | 120.0° |
| C24 | C25 | C26 | H251 | 125.3° | 120.0° |
| C24 | C25 | C26 | H252 | 125.2° | 120.0° |
| C24 | C25 | H251 | H252 | 116.9° | 120.0° |
| C24 | C25 | C26 | C27 | 178.4° | NaN° |
| C24 | C25 | C26 | H261 | 53.1° | 60.0° |
| C24 | C25 | C26 | H262 | 56.3° | 60.0° |
| H241 | C24 | C25 | C26 | 90.8° | 60.0° |
| H241 | C24 | C25 | H251 | 143.9° | 180.0° |
| H241 | C24 | C25 | H252 | 34.5° | 60.0° |
| H242 | C24 | C25 | C26 | 18.7° | 60.0° |
| H242 | C24 | C25 | H251 | 106.6° | 60.0° |
| H242 | C24 | C25 | H252 | 144.0° | 179.9° |
| C26 | C25 | H251 | H252 | 117.1° | 120.0° |
| C25 | C26 | C27 | H261 | 125.2° | 120.0° |
| C25 | C26 | C27 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H262 | 118.2° | 120.0° |
| C25 | C26 | C27 | C28 | 148.8° | 180.0° |
| C25 | C26 | C27 | H271 | 23.5° | 60.0° |
| C25 | C26 | C27 | H272 | 85.9° | 60.0° |
| H251 | C25 | C26 | C27 | 56.3° | 60.0° |
| H251 | C25 | C26 | H261 | 178.4° | 180.0° |
| H251 | C25 | C26 | H262 | 69.0° | 59.9° |
| H252 | C25 | C26 | C27 | 53.2° | 60.0° |
| H252 | C25 | C26 | H261 | 72.1° | 60.0° |
| H252 | C25 | C26 | H262 | 178.5° | 180.0° |
| C27 | C26 | H261 | H262 | 118.2° | 120.0° |
| C26 | C27 | C28 | H271 | 125.2° | 120.0° |
| C26 | C27 | C28 | H272 | 125.3° | 120.0° |
| C26 | C27 | H271 | H272 | 116.9° | 120.0° |
| C26 | C27 | C28 | C29 | 125.4° | 180.0° |
| C26 | C27 | C28 | H281 | 109.3° | 60.0° |
| C26 | C27 | C28 | H282 | 0.2° | 59.9° |
| H261 | C26 | C27 | C28 | 85.9° | 60.0° |
| H261 | C26 | C27 | H271 | 148.8° | 179.9° |
| H261 | C26 | C27 | H272 | 39.4° | 60.0° |
| H262 | C26 | C27 | C28 | 23.6° | 60.0° |
| H262 | C26 | C27 | H271 | 101.7° | 60.0° |
| H262 | C26 | C27 | H272 | 148.9° | 180.0° |
| C28 | C27 | H271 | H272 | 117.0° | 120.0° |
| C27 | C28 | C29 | H281 | 125.2° | 119.9° |
| C27 | C28 | C29 | H282 | 125.2° | 120.1° |
| C27 | C28 | H281 | H282 | 117.2° | 119.9° |
| C27 | C28 | C29 | C30 | 70.7° | 127.6° |
| C27 | C28 | C29 | H29 | 109.3° | 52.4° |
| H271 | C27 | C28 | C29 | 0.2° | 60.1° |
| H271 | C27 | C28 | H281 | 125.5° | 180.0° |
| H271 | C27 | C28 | H282 | 125.1° | 60.0° |
| H272 | C27 | C28 | C29 | 109.3° | 60.0° |
| H272 | C27 | C28 | H281 | 16.0° | 60.0° |
| H272 | C27 | C28 | H282 | 125.4° | 179.9° |
| C29 | C28 | H281 | H282 | 117.4° | 120.1° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.6° | 7.6° |
| C28 | C29 | C30 | H30 | 179.4° | 172.5° |
| H281 | C28 | C29 | C30 | 164.1° | 7.6° |
| H281 | C28 | C29 | H29 | 16.0° | 172.4° |
| H282 | C28 | C29 | C30 | 54.5° | 112.4° |
| H282 | C28 | C29 | H29 | 125.5° | 67.6° |
| C29 | C30 | C31 | H30 | 179.9° | 179.9° |
| C29 | C30 | C31 | C32 | 161.4° | 126.3° |
| C29 | C30 | C31 | H311 | 36.1° | 113.7° |
| C29 | C30 | C31 | H312 | 73.3° | 6.3° |
| H29 | C29 | C30 | C31 | 179.3° | 172.4° |
| H29 | C29 | C30 | H30 | 0.6° | 7.5° |
| C30 | C31 | C32 | H311 | 125.3° | 119.9° |
| C30 | C31 | C32 | H312 | 125.3° | 120.0° |
| C30 | C31 | H311 | H312 | 117.7° | 120.0° |
| C30 | C31 | C32 | C33 | 174.5° | 180.0° |
| C30 | C31 | C32 | H321 | 60.2° | 60.1° |
| C30 | C31 | C32 | H322 | 49.3° | 59.9° |
| H30 | C30 | C31 | C32 | 18.6° | 53.6° |
| H30 | C30 | C31 | H311 | 143.9° | 66.4° |
| H30 | C30 | C31 | H312 | 106.6° | 173.6° |
| C32 | C31 | H311 | H312 | 117.7° | 120.0° |
| C31 | C32 | C33 | H321 | 125.2° | 120.0° |
| C31 | C32 | C33 | H322 | 125.3° | 120.1° |
| C31 | C32 | H321 | H322 | 118.1° | 120.0° |
| C31 | C32 | C33 | C34 | 178.7° | 180.0° |
| C31 | C32 | C33 | H331 | 53.3° | 60.0° |
| C31 | C32 | C33 | H332 | 56.1° | 60.0° |
| H311 | C31 | C32 | C33 | 49.3° | 60.0° |
| H311 | C31 | C32 | H321 | 174.5° | 180.0° |
| H311 | C31 | C32 | H322 | 76.0° | 60.0° |
| H312 | C31 | C32 | C33 | 60.2° | 60.0° |
| H312 | C31 | C32 | H321 | 65.0° | 60.0° |
| H312 | C31 | C32 | H322 | 174.6° | 180.0° |
| C33 | C32 | H321 | H322 | 118.0° | 120.0° |
| C32 | C33 | C34 | H331 | 125.3° | 120.1° |
| C32 | C33 | C34 | H332 | 125.3° | 120.0° |
| C32 | C33 | H331 | H332 | 117.6° | 120.0° |
| C32 | C33 | C34 | C35 | 86.2° | 180.0° |
| C32 | C33 | C34 | H341 | 148.6° | 60.0° |
| C32 | C33 | C34 | H342 | 39.1° | 60.1° |
| H321 | C32 | C33 | C34 | 56.1° | 60.0° |
| H321 | C32 | C33 | H331 | 178.5° | 180.0° |
| H321 | C32 | C33 | H332 | 69.1° | 60.0° |
| H322 | C32 | C33 | C34 | 53.4° | 60.0° |
| H322 | C32 | C33 | H331 | 71.9° | 60.1° |
| H322 | C32 | C33 | H332 | 178.6° | 180.0° |
| C34 | C33 | H331 | H332 | 117.5° | 120.0° |
| C33 | C34 | C35 | H341 | 125.2° | 120.0° |
| C33 | C34 | C35 | H342 | 125.3° | 120.0° |
| C33 | C34 | H341 | H342 | 117.2° | 120.0° |
| C33 | C34 | C35 | C36 | 86.7° | 180.0° |
| C33 | C34 | C35 | H351 | 148.1° | 60.0° |
| C33 | C34 | C35 | H352 | 38.6° | 60.0° |
| H331 | C33 | C34 | C35 | 39.1° | 59.9° |
| H331 | C33 | C34 | H341 | 86.1° | 179.9° |
| H331 | C33 | C34 | H342 | 164.4° | 60.0° |
| H332 | C33 | C34 | C35 | 148.6° | 60.0° |
| H332 | C33 | C34 | H341 | 23.3° | 60.0° |
| H332 | C33 | C34 | H342 | 86.1° | 179.9° |
| C35 | C34 | H341 | H342 | 117.3° | 120.0° |
| C34 | C35 | C36 | H351 | 125.3° | 120.0° |
| C34 | C35 | C36 | H352 | 125.3° | 120.0° |
| C34 | C35 | H351 | H352 | 117.6° | 120.0° |
| C34 | C35 | C36 | H361 | 180.0° | 60.0° |
| C34 | C35 | C36 | H362 | 54.7° | 59.9° |
| C34 | C35 | C36 | H363 | 54.7° | 180.0° |
| H341 | C34 | C35 | C36 | 38.6° | 60.0° |
| H341 | C34 | C35 | H351 | 86.7° | 180.0° |
| H341 | C34 | C35 | H352 | 163.8° | 60.0° |
| H342 | C34 | C35 | C36 | 148.1° | 60.0° |
| H342 | C34 | C35 | H351 | 22.8° | 60.0° |
| H342 | C34 | C35 | H352 | 86.7° | 180.0° |
| C36 | C35 | H351 | H352 | 117.7° | 120.0° |
| C35 | C36 | H361 | H362 | 125.3° | 120.0° |
| C35 | C36 | H361 | H363 | 125.3° | 120.1° |
| C35 | C36 | H362 | H363 | 117.6° | 120.1° |
| H351 | C35 | C36 | H361 | 54.8° | 180.0° |
| H351 | C35 | C36 | H362 | 180.0° | 60.0° |
| H351 | C35 | C36 | H363 | 70.6° | 60.0° |
| H352 | C35 | C36 | H361 | 54.7° | 60.0° |
| H352 | C35 | C36 | H362 | 70.5° | 179.9° |
| H352 | C35 | C36 | H363 | 179.9° | 60.0° |
| H361 | C36 | H362 | H363 | 117.7° | 119.9° |
