PIE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O11 | sing | 1.61Å | 1.55Å | |
| P | O12 | doub | 1.55Å | 1.57Å | |
| P | O13 | sing | 1.54Å | 1.45Å | |
| P | O14 | sing | 1.61Å | 1.31Å | |
| O11 | C1 | sing | 1.43Å | 1.45Å | |
| O14 | C5' | sing | 1.43Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | O21 | sing | 1.45Å | 1.43Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | O31 | sing | 1.45Å | 1.39Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| O31 | C31 | sing | 1.34Å | 1.33Å | |
| O32 | C31 | doub | 1.21Å | 1.19Å | |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.42Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.57Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.55Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.54Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 53.13Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| O21 | C21 | sing | 1.34Å | 1.34Å | |
| O22 | C21 | doub | 1.21Å | 1.16Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.51Å | 1.55Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | C47 | doub | 1.31Å | 1.55Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C47 | C48 | sing | 1.51Å | 1.55Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| C48 | C49 | sing | 1.53Å | 1.55Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C49 | C50 | sing | 1.53Å | 1.55Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C50 | C51 | sing | 1.53Å | 1.54Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C51 | C52 | sing | 1.53Å | 48.68Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C1' | C2' | sing | 1.53Å | 1.52Å | |
| C1' | C6' | sing | 1.53Å | 1.60Å | |
| C1' | O1' | sing | 1.43Å | 1.44Å | |
| C1' | H1'1 | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.53Å | 1.56Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C3' | C4' | sing | 1.53Å | 1.56Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3'1 | sing | 1.09Å | 1.10Å | |
| C4' | C5' | sing | 1.53Å | 1.61Å | |
| C4' | O4' | sing | 1.43Å | 1.43Å | |
| C4' | H4'1 | sing | 1.09Å | 1.10Å | |
| C5' | C6' | sing | 1.53Å | 1.63Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C6' | O6' | sing | 1.43Å | 1.41Å | |
| C6' | H6'1 | sing | 1.09Å | 1.10Å | |
| O1' | HO11 | sing | 0.97Å | 0.95Å | |
| O2' | HO21 | sing | 0.97Å | 0.95Å | |
| O3' | HO31 | sing | 0.97Å | 0.95Å | |
| O4' | HO41 | sing | 0.97Å | 0.95Å | |
| O6' | HO61 | sing | 0.97Å | 0.95Å | |
| C52 | C53 | sing | 1.53Å | 0.00Å | |
| C52 | H521 | sing | 1.09Å | 0.00Å | |
| C52 | H522 | sing | 1.09Å | 0.00Å | |
| C53 | C54 | sing | 1.53Å | 0.00Å | |
| C53 | H531 | sing | 1.09Å | 0.00Å | |
| C53 | H532 | sing | 1.09Å | 0.00Å | |
| C54 | C55 | sing | 1.53Å | 0.00Å | |
| C54 | H541 | sing | 1.09Å | 0.00Å | |
| C54 | H542 | sing | 1.09Å | 0.00Å | |
| C55 | H551 | sing | 1.09Å | 0.00Å | |
| C55 | H552 | sing | 1.09Å | 0.00Å | |
| C55 | H553 | sing | 1.09Å | 0.00Å | |
| C43 | C44 | sing | 1.53Å | 0.00Å | |
| C43 | H431 | sing | 1.09Å | 0.00Å | |
| C43 | H432 | sing | 1.09Å | 0.00Å | |
| C44 | C45 | sing | 1.53Å | 0.00Å | |
| C44 | H441 | sing | 1.09Å | 0.00Å | |
| C44 | H442 | sing | 1.09Å | 0.00Å | |
| C45 | C46 | sing | 1.53Å | 0.00Å | |
| C45 | H451 | sing | 1.09Å | 0.00Å | |
| C45 | H452 | sing | 1.09Å | 0.00Å | |
| C46 | H461 | sing | 1.09Å | 0.00Å | |
| C46 | H462 | sing | 1.09Å | 0.00Å | |
| C46 | H453 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | P | O12 | 107.8° | 109.5° |
| O11 | P | O13 | 105.7° | 109.5° |
| O11 | P | O14 | 132.3° | 109.5° |
| P | O11 | C1 | 128.5° | 123.0° |
| O12 | P | O13 | 102.4° | 109.5° |
| O12 | P | O14 | 102.2° | 109.5° |
| O13 | P | O14 | 103.0° | 109.5° |
| P | O14 | C5' | 146.4° | 122.9° |
| O11 | C1 | C2 | 104.8° | 109.5° |
| O11 | C1 | H11 | 111.1° | 109.4° |
| O11 | C1 | H12 | 112.1° | 109.5° |
| O14 | C5' | C4' | 111.4° | 109.4° |
| O14 | C5' | C6' | 112.6° | 109.5° |
| O14 | C5' | H5'1 | 104.6° | 109.5° |
| C2 | C1 | H11 | 111.1° | 109.5° |
| C2 | C1 | H12 | 112.1° | 109.5° |
| C1 | C2 | C3 | 103.5° | 109.5° |
| C1 | C2 | O21 | 113.1° | 109.5° |
| C1 | C2 | H21 | 109.4° | 109.5° |
| H11 | C1 | H12 | 105.9° | 109.5° |
| C3 | C2 | O21 | 103.9° | 109.5° |
| C3 | C2 | H21 | 117.9° | 109.5° |
| C2 | C3 | O31 | 103.8° | 109.5° |
| C2 | C3 | H31 | 111.4° | 109.5° |
| C2 | C3 | H32 | 112.6° | 109.5° |
| O21 | C2 | H21 | 109.0° | 109.5° |
| C2 | O21 | C21 | 112.3° | 117.0° |
| O31 | C3 | H31 | 111.4° | 109.4° |
| O31 | C3 | H32 | 112.6° | 109.4° |
| C3 | O31 | C31 | 116.3° | 117.0° |
| H31 | C3 | H32 | 105.2° | 109.5° |
| O31 | C31 | O32 | 129.1° | 120.0° |
| O31 | C31 | C32 | 105.8° | 120.0° |
| O32 | C31 | C32 | 125.1° | 120.0° |
| C31 | C32 | C33 | 114.5° | 109.5° |
| C31 | C32 | H321 | 107.8° | 109.5° |
| C31 | C32 | H322 | 106.6° | 109.5° |
| C33 | C32 | H321 | 107.8° | 109.5° |
| C33 | C32 | H322 | 106.7° | 109.4° |
| C32 | C33 | C34 | 108.8° | 109.5° |
| C32 | C33 | H331 | 109.7° | 109.5° |
| C32 | C33 | H332 | 109.8° | 109.5° |
| H321 | C32 | H322 | 113.6° | 109.4° |
| C34 | C33 | H331 | 109.7° | 109.5° |
| C34 | C33 | H332 | 109.8° | 109.4° |
| C33 | C34 | C35 | 111.1° | 109.5° |
| C33 | C34 | H341 | 108.9° | 109.5° |
| C33 | C34 | H342 | 108.5° | 109.5° |
| H331 | C33 | H332 | 109.0° | 109.4° |
| C35 | C34 | H341 | 108.9° | 109.5° |
| C35 | C34 | H342 | 108.6° | 109.5° |
| C34 | C35 | C36 | 109.2° | 109.4° |
| C34 | C35 | H351 | 109.6° | 109.5° |
| C34 | C35 | H352 | 109.6° | 109.5° |
| H341 | C34 | H342 | 110.8° | 109.4° |
| C36 | C35 | H351 | 109.6° | 109.5° |
| C36 | C35 | H352 | 109.7° | 109.4° |
| C35 | C36 | C37 | 111.7° | 109.4° |
| C35 | C36 | H361 | 108.8° | 109.5° |
| C35 | C36 | H362 | 108.2° | 109.5° |
| H351 | C35 | H352 | 109.3° | 109.5° |
| C37 | C36 | H361 | 108.7° | 109.5° |
| C37 | C36 | H362 | 108.2° | 109.5° |
| C36 | C37 | C38 | 96.2° | 109.4° |
| C36 | C37 | H371 | 114.2° | 109.5° |
| C36 | C37 | H372 | 116.8° | 109.5° |
| H361 | C36 | H362 | 111.2° | 109.5° |
| C38 | C37 | H371 | 114.2° | 109.5° |
| C38 | C37 | H372 | 116.8° | 109.5° |
| C37 | C38 | C39 | 126.9° | 109.4° |
| C37 | C38 | H381 | 104.0° | 109.5° |
| C37 | C38 | H382 | 100.0° | 109.5° |
| H371 | C37 | H372 | 99.7° | 109.5° |
| C39 | C38 | H381 | 104.0° | 109.5° |
| C39 | C38 | H382 | 99.9° | 109.5° |
| C38 | C39 | C40 | 114.2° | 109.5° |
| C38 | C39 | H391 | 107.9° | 109.5° |
| C38 | C39 | H392 | 106.8° | 109.5° |
| H381 | C38 | H382 | 124.4° | 109.5° |
| C40 | C39 | H391 | 107.9° | 109.5° |
| C40 | C39 | H392 | 106.8° | 109.5° |
| C39 | C40 | C41 | 111.1° | 109.5° |
| C39 | C40 | H401 | 108.9° | 109.4° |
| C39 | C40 | H402 | 108.6° | 109.5° |
| H391 | C39 | H392 | 113.3° | 109.4° |
| C41 | C40 | H401 | 108.9° | 109.5° |
| C41 | C40 | H402 | 108.6° | 109.5° |
| C40 | C41 | C42 | 111.9° | 109.5° |
| C40 | C41 | H411 | 108.7° | 109.5° |
| C40 | C41 | H412 | 108.2° | 109.5° |
| H401 | C40 | H402 | 110.7° | 109.5° |
| C42 | C41 | H411 | 108.7° | 109.5° |
| C42 | C41 | H412 | 108.1° | 109.4° |
| C41 | C42 | C43 | 81.3° | 109.5° |
| C41 | C42 | H421 | 120.2° | 109.5° |
| C41 | C42 | H422 | 124.8° | 109.4° |
| H411 | C41 | H412 | 111.3° | 109.5° |
| C43 | C42 | H421 | 120.2° | 109.5° |
| C43 | C42 | H422 | 124.8° | 109.5° |
| C42 | C43 | C44 | 90.0° | 109.5° |
| C42 | C43 | H431 | 90.0° | 109.5° |
| C42 | C43 | H432 | 90.0° | 109.5° |
| H421 | C42 | H422 | 89.7° | 109.4° |
| O21 | C21 | O22 | 126.1° | 120.0° |
| O21 | C21 | C22 | 111.9° | 120.0° |
| O22 | C21 | C22 | 122.0° | 120.0° |
| C21 | C22 | C23 | 115.2° | 109.5° |
| C21 | C22 | H221 | 107.6° | 109.5° |
| C21 | C22 | H222 | 106.3° | 109.5° |
| C23 | C22 | H221 | 107.6° | 109.4° |
| C23 | C22 | H222 | 106.3° | 109.5° |
| C22 | C23 | C24 | 111.3° | 109.4° |
| C22 | C23 | H231 | 108.9° | 109.4° |
| C22 | C23 | H232 | 108.5° | 109.5° |
| H221 | C22 | H222 | 114.0° | 109.5° |
| C24 | C23 | H231 | 108.9° | 109.5° |
| C24 | C23 | H232 | 108.5° | 109.5° |
| C23 | C24 | C25 | 112.8° | 109.4° |
| C23 | C24 | H241 | 108.4° | 109.5° |
| C23 | C24 | H242 | 107.6° | 109.5° |
| H231 | C23 | H232 | 110.9° | 109.5° |
| C25 | C24 | H241 | 108.4° | 109.5° |
| C25 | C24 | H242 | 107.6° | 109.5° |
| C24 | C25 | C26 | 109.8° | 109.4° |
| C24 | C25 | H251 | 109.3° | 109.5° |
| C24 | C25 | H252 | 109.3° | 109.5° |
| H241 | C24 | H242 | 112.1° | 109.5° |
| C26 | C25 | H251 | 109.4° | 109.5° |
| C26 | C25 | H252 | 109.3° | 109.4° |
| C25 | C26 | C27 | 109.3° | 109.4° |
| C25 | C26 | H261 | 109.6° | 109.5° |
| C25 | C26 | H262 | 109.6° | 109.5° |
| H251 | C25 | H252 | 109.8° | 109.5° |
| C27 | C26 | H261 | 109.5° | 109.5° |
| C27 | C26 | H262 | 109.6° | 109.4° |
| C26 | C27 | C28 | 112.8° | 109.5° |
| C26 | C27 | H271 | 108.4° | 109.5° |
| C26 | C27 | H272 | 107.6° | 109.4° |
| H261 | C26 | H262 | 109.3° | 109.5° |
| C28 | C27 | H271 | 108.3° | 109.5° |
| C28 | C27 | H272 | 107.6° | 109.5° |
| C27 | C28 | C29 | 109.4° | 109.5° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| H271 | C27 | H272 | 112.1° | 109.5° |
| C29 | C28 | H281 | 109.5° | 109.5° |
| C29 | C28 | H282 | 109.5° | 109.4° |
| C28 | C29 | C47 | 114.0° | 120.0° |
| C28 | C29 | H291 | 123.0° | 120.0° |
| H281 | C28 | H282 | 109.4° | 109.5° |
| C47 | C29 | H291 | 123.0° | 120.1° |
| C29 | C47 | C48 | 108.0° | 120.0° |
| C29 | C47 | H471 | 126.0° | 120.0° |
| C48 | C47 | H471 | 126.0° | 120.0° |
| C47 | C48 | C49 | 110.4° | 109.5° |
| C47 | C48 | H481 | 109.2° | 109.5° |
| C47 | C48 | H482 | 109.0° | 109.4° |
| C49 | C48 | H481 | 109.2° | 109.5° |
| C49 | C48 | H482 | 108.9° | 109.5° |
| C48 | C49 | C50 | 107.9° | 109.5° |
| C48 | C49 | H491 | 110.0° | 109.5° |
| C48 | C49 | H492 | 110.3° | 109.5° |
| H481 | C48 | H482 | 110.2° | 109.5° |
| C50 | C49 | H491 | 110.0° | 109.5° |
| C50 | C49 | H492 | 110.4° | 109.4° |
| C49 | C50 | C51 | 112.9° | 109.5° |
| C49 | C50 | H501 | 108.3° | 109.5° |
| C49 | C50 | H502 | 107.6° | 109.4° |
| H491 | C49 | H492 | 108.2° | 109.5° |
| C51 | C50 | H501 | 108.3° | 109.5° |
| C51 | C50 | H502 | 107.5° | 109.5° |
| C50 | C51 | C52 | 123.6° | 109.5° |
| C50 | C51 | H511 | 105.0° | 109.5° |
| C50 | C51 | H512 | 101.7° | 109.5° |
| H501 | C50 | H502 | 112.2° | 109.5° |
| C52 | C51 | H511 | 105.0° | 109.5° |
| C52 | C51 | H512 | 101.7° | 109.4° |
| C51 | C52 | C53 | 90.0° | 109.5° |
| C51 | C52 | H521 | 90.0° | 109.5° |
| C51 | C52 | H522 | 90.0° | 109.4° |
| H511 | C51 | H512 | 121.4° | 109.4° |
| C2' | C1' | C6' | 108.2° | 109.5° |
| C2' | C1' | O1' | 108.6° | 109.4° |
| C2' | C1' | H1'1 | 111.0° | 109.5° |
| C1' | C2' | C3' | 110.9° | 109.4° |
| C1' | C2' | O2' | 110.1° | 109.5° |
| C1' | C2' | H2'1 | 107.8° | 109.5° |
| C6' | C1' | O1' | 109.8° | 109.5° |
| C6' | C1' | H1'1 | 109.8° | 109.5° |
| C1' | C6' | C5' | 111.2° | 109.5° |
| C1' | C6' | O6' | 110.2° | 109.5° |
| C1' | C6' | H6'1 | 106.9° | 109.5° |
| O1' | C1' | H1'1 | 109.5° | 109.5° |
| C1' | O1' | HO11 | 109.5° | 114.0° |
| C3' | C2' | O2' | 108.5° | 109.5° |
| C3' | C2' | H2'1 | 109.3° | 109.4° |
| C2' | C3' | C4' | 111.6° | 109.5° |
| C2' | C3' | O3' | 108.6° | 109.4° |
| C2' | C3' | H3'1 | 108.6° | 109.5° |
| O2' | C2' | H2'1 | 110.2° | 109.6° |
| C2' | O2' | HO21 | 109.5° | 114.0° |
| C4' | C3' | O3' | 109.5° | 109.5° |
| C4' | C3' | H3'1 | 107.7° | 109.5° |
| C3' | C4' | C5' | 111.4° | 109.4° |
| C3' | C4' | O4' | 108.7° | 109.5° |
| C3' | C4' | H4'1 | 108.5° | 109.5° |
| O3' | C3' | H3'1 | 110.7° | 109.4° |
| C3' | O3' | HO31 | 109.5° | 114.0° |
| C5' | C4' | O4' | 108.8° | 109.5° |
| C5' | C4' | H4'1 | 108.4° | 109.5° |
| C4' | C5' | C6' | 104.7° | 109.4° |
| C4' | C5' | H5'1 | 112.5° | 109.5° |
| O4' | C4' | H4'1 | 111.1° | 109.5° |
| C4' | O4' | HO41 | 109.5° | 114.0° |
| C6' | C5' | H5'1 | 111.3° | 109.5° |
| C5' | C6' | O6' | 106.2° | 109.5° |
| C5' | C6' | H6'1 | 110.8° | 109.5° |
| O6' | C6' | H6'1 | 111.8° | 109.5° |
| C6' | O6' | HO61 | 109.5° | 114.0° |
| C53 | C52 | H521 | 90.0° | 109.5° |
| C53 | C52 | H522 | 90.0° | 109.4° |
| C52 | C53 | C54 | 90.0° | 109.5° |
| C52 | C53 | H531 | 90.0° | 109.5° |
| C52 | C53 | H532 | 90.0° | 109.5° |
| H521 | C52 | H522 | 90.0° | 109.5° |
| C54 | C53 | H531 | 90.0° | 109.5° |
| C54 | C53 | H532 | 90.0° | 109.4° |
| C53 | C54 | C55 | 90.0° | 109.5° |
| C53 | C54 | H541 | 90.0° | 109.5° |
| C53 | C54 | H542 | 90.0° | 109.5° |
| H531 | C53 | H532 | 90.0° | 109.5° |
| C55 | C54 | H541 | 90.0° | 109.4° |
| C55 | C54 | H542 | 90.0° | 109.5° |
| C54 | C55 | H551 | 90.0° | 109.5° |
| C54 | C55 | H552 | 90.0° | 109.5° |
| C54 | C55 | H553 | 90.0° | 109.5° |
| H541 | C54 | H542 | 90.0° | 109.4° |
| H551 | C55 | H552 | 90.0° | 109.5° |
| H551 | C55 | H553 | 90.0° | 109.5° |
| H552 | C55 | H553 | 90.0° | 109.4° |
| C44 | C43 | H431 | 90.0° | 109.5° |
| C44 | C43 | H432 | 90.0° | 109.4° |
| C43 | C44 | C45 | 90.0° | 109.5° |
| C43 | C44 | H441 | 90.0° | 109.5° |
| C43 | C44 | H442 | 90.0° | 109.5° |
| H431 | C43 | H432 | 90.0° | 109.4° |
| C45 | C44 | H441 | 90.0° | 109.5° |
| C45 | C44 | H442 | 90.0° | 109.5° |
| C44 | C45 | C46 | 90.0° | 109.4° |
| C44 | C45 | H451 | 90.0° | 109.5° |
| C44 | C45 | H452 | 90.0° | 109.5° |
| H441 | C44 | H442 | 90.0° | 109.4° |
| C46 | C45 | H451 | 90.0° | 109.5° |
| C46 | C45 | H452 | 90.0° | 109.4° |
| C45 | C46 | H461 | 90.0° | 109.5° |
| C45 | C46 | H462 | 90.0° | 109.5° |
| C45 | C46 | H453 | 90.0° | 109.4° |
| H451 | C45 | H452 | 90.0° | 109.5° |
| H461 | C46 | H462 | 90.0° | 109.4° |
| H461 | C46 | H453 | 90.0° | 109.5° |
| H462 | C46 | H453 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | P | O12 | O13 | 111.2° | 120.0° |
| O11 | P | O12 | O14 | 142.3° | 120.0° |
| O11 | P | O13 | O14 | 141.5° | 120.0° |
| O11 | P | O14 | C5' | 72.5° | 175.0° |
| P | O11 | C1 | C2 | 151.1° | 180.0° |
| P | O11 | C1 | H11 | 31.1° | 60.0° |
| P | O11 | C1 | H12 | 87.1° | 60.0° |
| O12 | P | O13 | O14 | 105.8° | 120.0° |
| O12 | P | O11 | C1 | 11.4° | 55.0° |
| O12 | P | O14 | C5' | 55.6° | 55.0° |
| O13 | P | O11 | C1 | 120.3° | 65.0° |
| O13 | P | O14 | C5' | 161.6° | 65.0° |
| O14 | P | O11 | C1 | 114.8° | 175.0° |
| P | O14 | C5' | C4' | 32.5° | 120.0° |
| P | O14 | C5' | C6' | 149.7° | 120.0° |
| P | O14 | C5' | H5'1 | 89.3° | 0.0° |
| O11 | C1 | C2 | H11 | 120.0° | 120.0° |
| O11 | C1 | C2 | H12 | 121.8° | 120.0° |
| O11 | C1 | H11 | H12 | 121.9° | 120.0° |
| O11 | C1 | C2 | C3 | 64.6° | 55.0° |
| O11 | C1 | C2 | O21 | 47.2° | 65.0° |
| O11 | C1 | C2 | H21 | 169.0° | 175.0° |
| O14 | C5' | C6' | C1' | 179.1° | 180.0° |
| O14 | C5' | C4' | C3' | 179.4° | 180.0° |
| O14 | C5' | C4' | C6' | 121.9° | 119.9° |
| O14 | C5' | C4' | H5'1 | 117.1° | 120.0° |
| O14 | C5' | C4' | O4' | 59.6° | 60.0° |
| O14 | C5' | C4' | H4'1 | 61.3° | 60.1° |
| O14 | C5' | C6' | H5'1 | 117.1° | 120.1° |
| O14 | C5' | C6' | O6' | 59.2° | 60.1° |
| O14 | C5' | C6' | H6'1 | 62.3° | 59.9° |
| C2 | C1 | H11 | H12 | 121.9° | 120.0° |
| C1 | C2 | C3 | O21 | 118.4° | 120.0° |
| C1 | C2 | C3 | H21 | 120.9° | 120.0° |
| C1 | C2 | O21 | H21 | 122.0° | 120.0° |
| C1 | C2 | C3 | O31 | 179.7° | 55.0° |
| C1 | C2 | C3 | H31 | 60.3° | 175.0° |
| C1 | C2 | C3 | H32 | 57.6° | 64.9° |
| C1 | C2 | O21 | C21 | 132.5° | 90.0° |
| H11 | C1 | C2 | C3 | 175.4° | 175.0° |
| H11 | C1 | C2 | O21 | 72.8° | 55.0° |
| H11 | C1 | C2 | H21 | 49.0° | 65.0° |
| H12 | C1 | C2 | C3 | 57.2° | 65.0° |
| H12 | C1 | C2 | O21 | 169.0° | 175.0° |
| H12 | C1 | C2 | H21 | 69.3° | 55.0° |
| C3 | C2 | O21 | H21 | 126.5° | 120.0° |
| C2 | C3 | O31 | H31 | 120.0° | 120.0° |
| C2 | C3 | O31 | H32 | 122.1° | 120.0° |
| C2 | C3 | H31 | H32 | 122.3° | 120.1° |
| C2 | C3 | O31 | C31 | 179.1° | 180.0° |
| C3 | C2 | O21 | C21 | 116.0° | 150.0° |
| O21 | C2 | C3 | O31 | 61.3° | 65.0° |
| O21 | C2 | C3 | H31 | 178.7° | 55.0° |
| O21 | C2 | C3 | H32 | 60.8° | 175.0° |
| C2 | O21 | C21 | O22 | 54.1° | 0.0° |
| C2 | O21 | C21 | C22 | 126.5° | 180.0° |
| H21 | C2 | C3 | O31 | 59.4° | 175.0° |
| H21 | C2 | C3 | H31 | 60.6° | 65.0° |
| H21 | C2 | C3 | H32 | 178.5° | 55.1° |
| H21 | C2 | O21 | C21 | 10.5° | 30.0° |
| O31 | C3 | H31 | H32 | 122.3° | 119.9° |
| C3 | O31 | C31 | O32 | 0.2° | 0.0° |
| C3 | O31 | C31 | C32 | 179.9° | 180.0° |
| H31 | C3 | O31 | C31 | 60.9° | 60.0° |
| H32 | C3 | O31 | C31 | 57.0° | 60.0° |
| O31 | C31 | O32 | C32 | 179.6° | 180.0° |
| O31 | C31 | C32 | C33 | 179.4° | 180.0° |
| O31 | C31 | C32 | H321 | 59.4° | 60.0° |
| O31 | C31 | C32 | H322 | 62.8° | 60.0° |
| O32 | C31 | C32 | C33 | 0.3° | 0.0° |
| O32 | C31 | C32 | H321 | 120.3° | 120.0° |
| O32 | C31 | C32 | H322 | 117.5° | 120.0° |
| C31 | C32 | C33 | H321 | 120.0° | 120.0° |
| C31 | C32 | C33 | H322 | 117.7° | 120.0° |
| C31 | C32 | H321 | H322 | 117.9° | 120.0° |
| C31 | C32 | C33 | C34 | 108.8° | 180.0° |
| C31 | C32 | C33 | H331 | 131.2° | 60.0° |
| C31 | C32 | C33 | H332 | 11.4° | 60.0° |
| C33 | C32 | H321 | H322 | 117.9° | 119.9° |
| C32 | C33 | C34 | H331 | 120.0° | 120.0° |
| C32 | C33 | C34 | H332 | 120.2° | 120.0° |
| C32 | C33 | H331 | H332 | 120.3° | 120.0° |
| C32 | C33 | C34 | C35 | 122.1° | 180.0° |
| C32 | C33 | C34 | H341 | 118.0° | 60.0° |
| C32 | C33 | C34 | H342 | 2.8° | 60.0° |
| H321 | C32 | C33 | C34 | 11.1° | 59.9° |
| H321 | C32 | C33 | H331 | 108.9° | 180.0° |
| H321 | C32 | C33 | H332 | 131.4° | 60.0° |
| H322 | C32 | C33 | C34 | 133.4° | 60.0° |
| H322 | C32 | C33 | H331 | 13.4° | 60.1° |
| H322 | C32 | C33 | H332 | 106.3° | 180.0° |
| C34 | C33 | H331 | H332 | 120.3° | 120.0° |
| C33 | C34 | C35 | H341 | 120.0° | 120.0° |
| C33 | C34 | C35 | H342 | 119.3° | 120.0° |
| C33 | C34 | H341 | H342 | 119.3° | 120.0° |
| C33 | C34 | C35 | C36 | 180.0° | 180.0° |
| C33 | C34 | C35 | H351 | 60.0° | 60.0° |
| C33 | C34 | C35 | H352 | 59.9° | 60.0° |
| H331 | C33 | C34 | C35 | 2.0° | 60.0° |
| H331 | C33 | C34 | H341 | 122.0° | NaN° |
| H331 | C33 | C34 | H342 | 117.2° | 60.0° |
| H332 | C33 | C34 | C35 | 117.7° | 60.0° |
| H332 | C33 | C34 | H341 | 2.3° | 60.0° |
| H332 | C33 | C34 | H342 | 123.0° | 180.0° |
| C35 | C34 | H341 | H342 | 119.3° | 120.0° |
| C34 | C35 | C36 | H351 | 120.0° | 120.0° |
| C34 | C35 | C36 | H352 | 120.1° | 120.0° |
| C34 | C35 | H351 | H352 | 120.1° | 120.1° |
| C34 | C35 | C36 | C37 | 63.3° | 180.0° |
| C34 | C35 | C36 | H361 | 56.7° | 60.0° |
| C34 | C35 | C36 | H362 | 177.6° | 60.0° |
| H341 | C34 | C35 | C36 | 60.0° | 60.0° |
| H341 | C34 | C35 | H351 | 180.0° | 179.9° |
| H341 | C34 | C35 | H352 | 60.1° | 60.0° |
| H342 | C34 | C35 | C36 | 60.7° | 60.0° |
| H342 | C34 | C35 | H351 | 59.3° | 60.0° |
| H342 | C34 | C35 | H352 | 179.2° | 179.9° |
| C36 | C35 | H351 | H352 | 120.1° | 120.0° |
| C35 | C36 | C37 | H361 | 120.0° | 120.0° |
| C35 | C36 | C37 | H362 | 119.1° | 120.0° |
| C35 | C36 | H361 | H362 | 119.1° | 120.0° |
| C35 | C36 | C37 | C38 | 163.0° | 180.0° |
| C35 | C36 | C37 | H371 | 43.0° | 60.0° |
| C35 | C36 | C37 | H372 | 72.7° | 60.0° |
| H351 | C35 | C36 | C37 | 176.7° | 60.0° |
| H351 | C35 | C36 | H361 | 63.3° | 180.0° |
| H351 | C35 | C36 | H362 | 57.6° | 60.0° |
| H352 | C35 | C36 | C37 | 56.8° | 60.0° |
| H352 | C35 | C36 | H361 | 176.8° | 60.0° |
| H352 | C35 | C36 | H362 | 62.3° | 180.0° |
| C37 | C36 | H361 | H362 | 119.1° | 120.0° |
| C36 | C37 | C38 | H371 | 120.0° | 120.0° |
| C36 | C37 | C38 | H372 | 124.3° | 120.0° |
| C36 | C37 | H371 | H372 | 125.3° | 120.0° |
| C36 | C37 | C38 | C39 | 32.7° | 180.0° |
| C36 | C37 | C38 | H381 | 87.3° | 60.0° |
| C36 | C37 | C38 | H382 | 143.3° | 60.0° |
| H361 | C36 | C37 | C38 | 77.0° | 60.0° |
| H361 | C36 | C37 | H371 | 163.1° | 180.0° |
| H361 | C36 | C37 | H372 | 47.3° | 60.0° |
| H362 | C36 | C37 | C38 | 44.0° | 60.0° |
| H362 | C36 | C37 | H371 | 76.0° | 60.0° |
| H362 | C36 | C37 | H372 | 168.2° | 180.0° |
| C38 | C37 | H371 | H372 | 125.3° | 120.0° |
| C37 | C38 | C39 | H381 | 120.0° | 120.0° |
| C37 | C38 | C39 | H382 | 110.6° | 120.0° |
| C37 | C38 | H381 | H382 | 112.8° | 120.0° |
| C37 | C38 | C39 | C40 | 95.8° | 180.0° |
| C37 | C38 | C39 | H391 | 24.2° | 60.0° |
| C37 | C38 | C39 | H392 | 146.3° | 60.0° |
| H371 | C37 | C38 | C39 | 152.7° | 60.0° |
| H371 | C37 | C38 | H381 | 32.7° | 180.0° |
| H371 | C37 | C38 | H382 | 96.7° | 59.9° |
| H372 | C37 | C38 | C39 | 91.5° | 60.0° |
| H372 | C37 | C38 | H381 | 148.5° | 60.0° |
| H372 | C37 | C38 | H382 | 19.0° | 179.9° |
| C39 | C38 | H381 | H382 | 112.8° | 120.0° |
| C38 | C39 | C40 | H391 | 120.0° | 120.0° |
| C38 | C39 | C40 | H392 | 117.9° | 120.0° |
| C38 | C39 | H391 | H392 | 118.0° | 120.0° |
| C38 | C39 | C40 | C41 | 157.7° | 180.0° |
| C38 | C39 | C40 | H401 | 37.7° | 60.0° |
| C38 | C39 | C40 | H402 | 83.0° | 60.0° |
| H381 | C38 | C39 | C40 | 144.2° | 60.1° |
| H381 | C38 | C39 | H391 | 95.7° | 180.0° |
| H381 | C38 | C39 | H392 | 26.4° | 60.0° |
| H382 | C38 | C39 | C40 | 14.8° | 60.0° |
| H382 | C38 | C39 | H391 | 134.8° | 60.0° |
| H382 | C38 | C39 | H392 | 103.1° | 180.0° |
| C40 | C39 | H391 | H392 | 118.0° | 120.0° |
| C39 | C40 | C41 | H401 | 120.0° | 119.9° |
| C39 | C40 | C41 | H402 | 119.3° | 120.0° |
| C39 | C40 | H401 | H402 | 119.3° | 120.0° |
| C39 | C40 | C41 | C42 | 146.0° | 179.9° |
| C39 | C40 | C41 | H411 | 94.0° | 60.0° |
| C39 | C40 | C41 | H412 | 27.0° | 60.0° |
| H391 | C39 | C40 | C41 | 82.3° | 60.0° |
| H391 | C39 | C40 | H401 | 157.7° | 180.0° |
| H391 | C39 | C40 | H402 | 37.0° | 60.0° |
| H392 | C39 | C40 | C41 | 39.8° | 60.0° |
| H392 | C39 | C40 | H401 | 80.2° | 60.0° |
| H392 | C39 | C40 | H402 | 159.1° | 180.0° |
| C41 | C40 | H401 | H402 | 119.3° | 120.1° |
| C40 | C41 | C42 | H411 | 120.0° | 120.0° |
| C40 | C41 | C42 | H412 | 119.0° | 120.0° |
| C40 | C41 | H411 | H412 | 119.0° | 120.0° |
| C40 | C41 | C42 | C43 | 113.4° | 180.0° |
| C40 | C41 | C42 | H421 | 126.6° | 60.0° |
| C40 | C41 | C42 | H422 | 13.2° | 60.0° |
| H401 | C40 | C41 | C42 | 26.0° | 60.0° |
| H401 | C40 | C41 | H411 | 146.0° | 179.9° |
| H401 | C40 | C41 | H412 | 92.9° | 59.9° |
| H402 | C40 | C41 | C42 | 94.6° | 60.0° |
| H402 | C40 | C41 | H411 | 25.4° | 60.0° |
| H402 | C40 | C41 | H412 | 146.4° | 180.0° |
| C42 | C41 | H411 | H412 | 119.0° | 120.0° |
| C41 | C42 | C43 | H421 | 120.0° | 120.1° |
| C41 | C42 | C43 | H422 | 126.6° | 120.0° |
| C41 | C42 | H421 | H422 | 131.0° | 120.0° |
| C41 | C42 | C43 | C44 | 90.0° | 180.0° |
| C41 | C42 | C43 | H431 | 90.0° | 59.9° |
| C41 | C42 | C43 | H432 | 90.0° | 60.0° |
| H411 | C41 | C42 | C43 | 6.6° | 60.0° |
| H411 | C41 | C42 | H421 | 113.4° | 180.0° |
| H411 | C41 | C42 | H422 | 133.2° | 60.0° |
| H412 | C41 | C42 | C43 | 127.6° | 60.1° |
| H412 | C41 | C42 | H421 | 7.6° | 60.0° |
| H412 | C41 | C42 | H422 | 105.8° | 179.9° |
| C43 | C42 | H421 | H422 | 131.1° | 120.0° |
| C42 | C43 | C44 | H431 | 90.0° | 120.0° |
| C42 | C43 | C44 | H432 | 90.0° | 120.0° |
| C42 | C43 | H431 | H432 | 90.0° | 120.0° |
| C42 | C43 | C44 | C45 | 90.0° | 180.0° |
| C42 | C43 | C44 | H441 | 90.0° | 60.0° |
| C42 | C43 | C44 | H442 | 90.0° | 60.0° |
| H421 | C42 | C43 | C44 | 90.0° | 59.9° |
| H421 | C42 | C43 | H431 | 90.0° | 180.0° |
| H421 | C42 | C43 | H432 | 90.0° | 60.0° |
| H422 | C42 | C43 | C44 | 90.0° | 60.0° |
| H422 | C42 | C43 | H431 | 90.0° | 60.0° |
| H422 | C42 | C43 | H432 | 90.0° | 180.0° |
| O21 | C21 | O22 | C22 | 179.4° | 180.0° |
| O21 | C21 | C22 | C23 | 166.8° | 180.0° |
| O21 | C21 | C22 | H221 | 73.2° | 60.0° |
| O21 | C21 | C22 | H222 | 49.3° | 60.0° |
| O22 | C21 | C22 | C23 | 12.7° | 0.0° |
| O22 | C21 | C22 | H221 | 107.4° | 120.0° |
| O22 | C21 | C22 | H222 | 130.1° | 120.0° |
| C21 | C22 | C23 | H221 | 120.0° | 120.0° |
| C21 | C22 | C23 | H222 | 117.5° | 120.0° |
| C21 | C22 | H221 | H222 | 117.7° | 120.0° |
| C21 | C22 | C23 | C24 | 70.3° | 180.0° |
| C21 | C22 | C23 | H231 | 169.7° | 60.0° |
| C21 | C22 | C23 | H232 | 48.9° | 60.0° |
| C23 | C22 | H221 | H222 | 117.6° | 120.0° |
| C22 | C23 | C24 | H231 | 120.0° | 120.0° |
| C22 | C23 | C24 | H232 | 119.2° | 120.0° |
| C22 | C23 | H231 | H232 | 119.3° | 120.0° |
| C22 | C23 | C24 | C25 | 84.6° | 180.0° |
| C22 | C23 | C24 | H241 | 155.4° | 60.0° |
| C22 | C23 | C24 | H242 | 34.0° | 60.0° |
| H221 | C22 | C23 | C24 | 49.7° | 60.0° |
| H221 | C22 | C23 | H231 | 70.3° | 180.0° |
| H221 | C22 | C23 | H232 | 168.9° | 60.0° |
| H222 | C22 | C23 | C24 | 172.2° | 60.0° |
| H222 | C22 | C23 | H231 | 52.2° | 60.0° |
| H222 | C22 | C23 | H232 | 68.6° | 180.0° |
| C24 | C23 | H231 | H232 | 119.3° | 120.1° |
| C23 | C24 | C25 | H241 | 120.0° | 120.0° |
| C23 | C24 | C25 | H242 | 118.6° | 120.0° |
| C23 | C24 | H241 | H242 | 118.6° | 120.0° |
| C23 | C24 | C25 | C26 | 179.9° | 180.0° |
| C23 | C24 | C25 | H251 | 60.1° | 60.1° |
| C23 | C24 | C25 | H252 | 60.1° | 60.0° |
| H231 | C23 | C24 | C25 | 35.4° | 60.0° |
| H231 | C23 | C24 | H241 | 84.6° | 180.0° |
| H231 | C23 | C24 | H242 | 154.0° | 60.0° |
| H232 | C23 | C24 | C25 | 156.2° | 60.0° |
| H232 | C23 | C24 | H241 | 36.2° | 60.0° |
| H232 | C23 | C24 | H242 | 85.2° | 180.0° |
| C25 | C24 | H241 | H242 | 118.6° | 120.0° |
| C24 | C25 | C26 | H251 | 120.0° | 120.0° |
| C24 | C25 | C26 | H252 | 119.8° | 120.0° |
| C24 | C25 | H251 | H252 | 119.8° | 120.1° |
| C24 | C25 | C26 | C27 | 179.8° | 180.0° |
| C24 | C25 | C26 | H261 | 59.8° | 60.0° |
| C24 | C25 | C26 | H262 | 60.2° | 60.0° |
| H241 | C24 | C25 | C26 | 59.9° | 60.0° |
| H241 | C24 | C25 | H251 | 179.9° | 179.9° |
| H241 | C24 | C25 | H252 | 59.9° | 60.0° |
| H242 | C24 | C25 | C26 | 61.5° | 60.1° |
| H242 | C24 | C25 | H251 | 58.5° | 59.9° |
| H242 | C24 | C25 | H252 | 178.6° | 180.0° |
| C26 | C25 | H251 | H252 | 119.9° | 120.0° |
| C25 | C26 | C27 | H261 | 120.0° | 120.0° |
| C25 | C26 | C27 | H262 | 120.1° | 120.0° |
| C25 | C26 | H261 | H262 | 120.1° | 120.0° |
| C25 | C26 | C27 | C28 | 88.6° | 180.0° |
| C25 | C26 | C27 | H271 | 151.4° | 60.0° |
| C25 | C26 | C27 | H272 | 30.0° | 60.0° |
| H251 | C25 | C26 | C27 | 60.3° | 60.0° |
| H251 | C25 | C26 | H261 | 179.7° | 180.0° |
| H251 | C25 | C26 | H262 | 59.8° | 60.0° |
| H252 | C25 | C26 | C27 | 59.9° | 60.1° |
| H252 | C25 | C26 | H261 | 60.1° | 60.0° |
| H252 | C25 | C26 | H262 | 180.0° | 180.0° |
| C27 | C26 | H261 | H262 | 120.1° | 120.0° |
| C26 | C27 | C28 | H271 | 120.0° | 120.0° |
| C26 | C27 | C28 | H272 | 118.6° | 120.0° |
| C26 | C27 | H271 | H272 | 118.7° | 120.0° |
| C26 | C27 | C28 | C29 | 95.2° | 180.0° |
| C26 | C27 | C28 | H281 | 24.8° | 60.0° |
| C26 | C27 | C28 | H282 | 144.8° | 60.0° |
| H261 | C26 | C27 | C28 | 31.4° | 60.0° |
| H261 | C26 | C27 | H271 | 88.6° | 180.0° |
| H261 | C26 | C27 | H272 | 150.0° | 60.0° |
| H262 | C26 | C27 | C28 | 151.3° | 60.0° |
| H262 | C26 | C27 | H271 | 31.4° | 60.0° |
| H262 | C26 | C27 | H272 | 90.1° | 180.0° |
| C28 | C27 | H271 | H272 | 118.6° | 120.0° |
| C27 | C28 | C29 | H281 | 120.0° | 120.0° |
| C27 | C28 | C29 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H282 | 120.0° | 120.0° |
| C27 | C28 | C29 | C47 | 106.7° | 125.0° |
| C27 | C28 | C29 | H291 | 73.3° | 54.9° |
| H271 | C27 | C28 | C29 | 144.8° | 60.0° |
| H271 | C27 | C28 | H281 | 95.2° | 180.0° |
| H271 | C27 | C28 | H282 | 24.7° | 60.0° |
| H272 | C27 | C28 | C29 | 23.4° | 60.0° |
| H272 | C27 | C28 | H281 | 143.4° | 60.0° |
| H272 | C27 | C28 | H282 | 96.7° | 180.0° |
| C29 | C28 | H281 | H282 | 120.1° | 119.9° |
| C28 | C29 | C47 | H291 | 180.0° | 179.9° |
| C28 | C29 | C47 | C48 | 180.0° | 180.0° |
| C28 | C29 | C47 | H471 | 0.0° | 0.1° |
| H281 | C28 | C29 | C47 | 13.3° | 4.9° |
| H281 | C28 | C29 | H291 | 166.8° | 175.0° |
| H282 | C28 | C29 | C47 | 133.3° | 115.0° |
| H282 | C28 | C29 | H291 | 46.8° | 65.1° |
| C29 | C47 | C48 | H471 | 180.0° | 180.0° |
| C29 | C47 | C48 | C49 | 180.0° | 125.0° |
| C29 | C47 | C48 | H481 | 60.0° | 115.0° |
| C29 | C47 | C48 | H482 | 60.4° | 5.0° |
| H291 | C29 | C47 | C48 | 0.0° | 0.0° |
| H291 | C29 | C47 | H471 | 180.0° | 180.0° |
| C47 | C48 | C49 | H481 | 120.0° | 120.0° |
| C47 | C48 | C49 | H482 | 119.6° | 120.0° |
| C47 | C48 | H481 | H482 | 119.6° | 120.0° |
| C47 | C48 | C49 | C50 | 151.6° | 180.0° |
| C47 | C48 | C49 | H491 | 88.4° | 60.0° |
| C47 | C48 | C49 | H492 | 30.9° | 60.0° |
| H471 | C47 | C48 | C49 | 0.0° | 55.0° |
| H471 | C47 | C48 | H481 | 120.0° | 65.0° |
| H471 | C47 | C48 | H482 | 119.6° | 175.0° |
| C49 | C48 | H481 | H482 | 119.6° | 120.0° |
| C48 | C49 | C50 | H491 | 120.0° | 120.1° |
| C48 | C49 | C50 | H492 | 120.6° | 120.0° |
| C48 | C49 | H491 | H492 | 120.6° | 120.0° |
| C48 | C49 | C50 | C51 | 180.0° | 180.0° |
| C48 | C49 | C50 | H501 | 60.0° | 60.0° |
| C48 | C49 | C50 | H502 | 61.5° | 60.0° |
| H481 | C48 | C49 | C50 | 31.6° | 60.0° |
| H481 | C48 | C49 | H491 | 151.6° | 180.0° |
| H481 | C48 | C49 | H492 | 89.1° | 59.9° |
| H482 | C48 | C49 | C50 | 88.8° | 60.1° |
| H482 | C48 | C49 | H491 | 31.2° | 60.0° |
| H482 | C48 | C49 | H492 | 150.6° | 180.0° |
| C50 | C49 | H491 | H492 | 120.7° | 119.9° |
| C49 | C50 | C51 | H501 | 120.0° | 120.0° |
| C49 | C50 | C51 | H502 | 118.5° | 119.9° |
| C49 | C50 | H501 | H502 | 118.6° | 120.0° |
| C49 | C50 | C51 | C52 | 16.1° | 180.0° |
| C49 | C50 | C51 | H511 | 136.1° | 59.9° |
| C49 | C50 | C51 | H512 | 96.6° | 60.0° |
| H491 | C49 | C50 | C51 | 60.0° | 59.9° |
| H491 | C49 | C50 | H501 | 180.0° | 179.9° |
| H491 | C49 | C50 | H502 | 58.5° | 60.0° |
| H492 | C49 | C50 | C51 | 59.4° | 60.0° |
| H492 | C49 | C50 | H501 | 60.6° | 60.0° |
| H492 | C49 | C50 | H502 | 177.9° | 180.0° |
| C51 | C50 | H501 | H502 | 118.6° | 120.0° |
| C50 | C51 | C52 | H511 | 120.0° | 120.1° |
| C50 | C51 | C52 | H512 | 112.7° | 120.0° |
| C50 | C51 | H511 | H512 | 114.1° | 120.1° |
| C50 | C51 | C52 | C53 | 90.0° | 180.0° |
| C50 | C51 | C52 | H521 | 90.0° | 60.0° |
| C50 | C51 | C52 | H522 | 90.0° | 60.0° |
| H501 | C50 | C51 | C52 | 103.9° | 60.0° |
| H501 | C50 | C51 | H511 | 16.1° | 180.0° |
| H501 | C50 | C51 | H512 | 143.4° | 60.0° |
| H502 | C50 | C51 | C52 | 134.6° | 60.1° |
| H502 | C50 | C51 | H511 | 105.3° | 60.0° |
| H502 | C50 | C51 | H512 | 21.9° | 180.0° |
| C52 | C51 | H511 | H512 | 114.2° | 119.9° |
| C51 | C52 | C53 | H521 | 90.0° | 120.0° |
| C51 | C52 | C53 | H522 | 90.0° | 119.9° |
| C51 | C52 | H521 | H522 | 90.0° | 120.0° |
| C51 | C52 | C53 | C54 | 90.0° | 180.0° |
| C51 | C52 | C53 | H531 | 90.0° | 59.9° |
| C51 | C52 | C53 | H532 | 90.0° | 60.1° |
| H511 | C51 | C52 | C53 | 90.0° | 59.9° |
| H511 | C51 | C52 | H521 | 90.0° | 179.9° |
| H511 | C51 | C52 | H522 | 90.0° | 60.0° |
| H512 | C51 | C52 | C53 | 90.0° | 60.0° |
| H512 | C51 | C52 | H521 | 90.0° | 60.0° |
| H512 | C51 | C52 | H522 | 90.0° | 179.9° |
| C2' | C1' | C6' | O1' | 118.3° | 120.0° |
| C2' | C1' | C6' | H1'1 | 121.3° | 120.0° |
| C2' | C1' | O1' | H1'1 | 121.3° | 120.0° |
| C1' | C2' | C3' | O2' | 121.0° | 120.0° |
| C1' | C2' | C3' | H2'1 | 118.7° | 119.9° |
| C1' | C2' | O2' | H2'1 | 118.7° | 120.0° |
| C1' | C2' | C3' | C4' | 59.2° | 60.0° |
| C1' | C2' | C3' | O3' | 180.0° | 180.0° |
| C1' | C2' | C3' | H3'1 | 59.5° | 60.1° |
| C2' | C1' | C6' | C5' | 62.6° | 60.1° |
| C2' | C1' | C6' | O6' | 180.0° | 180.0° |
| C2' | C1' | C6' | H6'1 | 58.4° | 60.0° |
| C2' | C1' | O1' | HO11 | 91.1° | 60.0° |
| C1' | C2' | O2' | HO21 | 122.7° | 180.0° |
| C6' | C1' | O1' | H1'1 | 120.6° | 120.0° |
| C6' | C1' | C2' | C3' | 59.6° | 60.0° |
| C6' | C1' | C2' | O2' | 179.8° | 180.0° |
| C6' | C1' | C2' | H2'1 | 60.1° | 59.9° |
| C1' | C6' | C5' | C4' | 59.8° | 60.1° |
| C1' | C6' | C5' | O6' | 119.8° | 120.0° |
| C1' | C6' | C5' | H6'1 | 118.6° | 120.0° |
| C1' | C6' | C5' | H5'1 | 62.0° | 59.9° |
| C1' | C6' | O6' | H6'1 | 118.6° | 120.0° |
| C6' | C1' | O1' | HO11 | 150.8° | 180.0° |
| C1' | C6' | O6' | HO61 | 93.5° | 60.0° |
| O1' | C1' | C2' | C3' | 178.7° | 180.0° |
| O1' | C1' | C2' | O2' | 61.2° | 60.0° |
| O1' | C1' | C2' | H2'1 | 59.0° | 60.1° |
| O1' | C1' | C6' | C5' | 179.1° | 180.0° |
| O1' | C1' | C6' | O6' | 61.7° | 60.0° |
| O1' | C1' | C6' | H6'1 | 59.9° | 60.0° |
| H1'1 | C1' | C2' | C3' | 60.9° | 60.0° |
| H1'1 | C1' | C2' | O2' | 59.2° | 60.0° |
| H1'1 | C1' | C2' | H2'1 | 179.4° | 179.9° |
| H1'1 | C1' | C6' | C5' | 58.7° | 60.0° |
| H1'1 | C1' | C6' | O6' | 58.7° | 60.0° |
| H1'1 | C1' | C6' | H6'1 | 179.7° | 180.0° |
| H1'1 | C1' | O1' | HO11 | 30.2° | 60.0° |
| C3' | C2' | O2' | H2'1 | 119.7° | 120.0° |
| C2' | C3' | C4' | O3' | 120.3° | 120.0° |
| C2' | C3' | C4' | H3'1 | 119.2° | 120.0° |
| C2' | C3' | O3' | H3'1 | 119.2° | 119.9° |
| C2' | C3' | C4' | C5' | 58.7° | 60.0° |
| C2' | C3' | C4' | O4' | 61.1° | 60.0° |
| C2' | C3' | C4' | H4'1 | 178.0° | 180.0° |
| C3' | C2' | O2' | HO21 | 1.1° | 60.0° |
| C2' | C3' | O3' | HO31 | 145.4° | 60.0° |
| O2' | C2' | C3' | C4' | 179.8° | 180.0° |
| O2' | C2' | C3' | O3' | 58.9° | 60.0° |
| O2' | C2' | C3' | H3'1 | 61.6° | 59.9° |
| H2'1 | C2' | C3' | C4' | 59.6° | 59.9° |
| H2'1 | C2' | C3' | O3' | 61.3° | 60.1° |
| H2'1 | C2' | C3' | H3'1 | 178.2° | 180.0° |
| H2'1 | C2' | O2' | HO21 | 118.6° | 60.0° |
| C4' | C3' | O3' | H3'1 | 118.7° | 120.0° |
| C3' | C4' | C5' | O4' | 119.7° | 120.0° |
| C3' | C4' | C5' | H4'1 | 119.3° | 120.0° |
| C3' | C4' | O4' | H4'1 | 119.3° | 120.0° |
| C3' | C4' | C5' | C6' | 57.4° | 60.0° |
| C3' | C4' | C5' | H5'1 | 63.5° | 60.0° |
| C4' | C3' | O3' | HO31 | 92.5° | 180.0° |
| C3' | C4' | O4' | HO41 | 50.4° | 60.0° |
| O3' | C3' | C4' | C5' | 179.0° | 180.0° |
| O3' | C3' | C4' | O4' | 59.2° | 60.0° |
| O3' | C3' | C4' | H4'1 | 61.7° | 60.0° |
| H3'1 | C3' | C4' | C5' | 60.4° | 60.0° |
| H3'1 | C3' | C4' | O4' | 179.8° | 180.0° |
| H3'1 | C3' | C4' | H4'1 | 58.8° | 60.0° |
| H3'1 | C3' | O3' | HO31 | 26.2° | 60.0° |
| C5' | C4' | O4' | H4'1 | 119.2° | 120.0° |
| C4' | C5' | C6' | H5'1 | 121.8° | 120.0° |
| C4' | C5' | C6' | O6' | 179.6° | 180.0° |
| C4' | C5' | C6' | H6'1 | 58.8° | 60.0° |
| C5' | C4' | O4' | HO41 | 171.8° | 180.0° |
| O4' | C4' | C5' | C6' | 62.3° | 60.0° |
| O4' | C4' | C5' | H5'1 | 176.7° | 180.0° |
| H4'1 | C4' | C5' | C6' | 176.8° | 180.0° |
| H4'1 | C4' | C5' | H5'1 | 55.8° | 60.0° |
| H4'1 | C4' | O4' | HO41 | 68.9° | 59.9° |
| C5' | C6' | O6' | H6'1 | 120.9° | 120.0° |
| C5' | C6' | O6' | HO61 | 146.0° | 180.0° |
| H5'1 | C5' | C6' | O6' | 57.9° | 60.1° |
| H5'1 | C5' | C6' | H6'1 | 179.4° | 179.9° |
| H6'1 | C6' | O6' | HO61 | 25.1° | 60.0° |
| C53 | C52 | H521 | H522 | 90.0° | 120.0° |
| C52 | C53 | C54 | H531 | 90.0° | 120.1° |
| C52 | C53 | C54 | H532 | 90.0° | 119.9° |
| C52 | C53 | H531 | H532 | 90.0° | 120.0° |
| C52 | C53 | C54 | C55 | 90.0° | 180.0° |
| C52 | C53 | C54 | H541 | 90.0° | 60.0° |
| C52 | C53 | C54 | H542 | 90.0° | 60.0° |
| H521 | C52 | C53 | C54 | 90.0° | 60.0° |
| H521 | C52 | C53 | H531 | 90.0° | 180.0° |
| H521 | C52 | C53 | H532 | 90.0° | 59.9° |
| H522 | C52 | C53 | C54 | 90.0° | 60.1° |
| H522 | C52 | C53 | H531 | 90.0° | 60.0° |
| H522 | C52 | C53 | H532 | 90.0° | 180.0° |
| C54 | C53 | H531 | H532 | 90.0° | 119.9° |
| C53 | C54 | C55 | H541 | 90.0° | 120.0° |
| C53 | C54 | C55 | H542 | 90.0° | 120.0° |
| C53 | C54 | H541 | H542 | 90.0° | 120.0° |
| C53 | C54 | C55 | H551 | 90.0° | 60.0° |
| C53 | C54 | C55 | H552 | 90.0° | 60.0° |
| C53 | C54 | C55 | H553 | 90.0° | 180.0° |
| H531 | C53 | C54 | C55 | 90.0° | 59.9° |
| H531 | C53 | C54 | H541 | 90.0° | 179.9° |
| H531 | C53 | C54 | H542 | 90.0° | 60.1° |
| H532 | C53 | C54 | C55 | 90.0° | 60.0° |
| H532 | C53 | C54 | H541 | 90.0° | 60.0° |
| H532 | C53 | C54 | H542 | 90.0° | 180.0° |
| C55 | C54 | H541 | H542 | 90.0° | 119.9° |
| C54 | C55 | H551 | H552 | 90.0° | 120.0° |
| C54 | C55 | H551 | H553 | 90.0° | 120.1° |
| C54 | C55 | H552 | H553 | 90.0° | 120.0° |
| H541 | C54 | C55 | H551 | 90.0° | 180.0° |
| H541 | C54 | C55 | H552 | 90.0° | 60.0° |
| H541 | C54 | C55 | H553 | 90.0° | 59.9° |
| H542 | C54 | C55 | H551 | 90.0° | 60.1° |
| H542 | C54 | C55 | H552 | 90.0° | 179.9° |
| H542 | C54 | C55 | H553 | 90.0° | 60.0° |
| H551 | C55 | H552 | H553 | 90.0° | 120.0° |
| C44 | C43 | H431 | H432 | 90.0° | 120.0° |
| C43 | C44 | C45 | H441 | 90.0° | 120.0° |
| C43 | C44 | C45 | H442 | 90.0° | 120.0° |
| C43 | C44 | H441 | H442 | 90.0° | 120.0° |
| C43 | C44 | C45 | C46 | 90.0° | 180.0° |
| C43 | C44 | C45 | H451 | 90.0° | 60.0° |
| C43 | C44 | C45 | H452 | 90.0° | 60.0° |
| H431 | C43 | C44 | C45 | 90.0° | 60.0° |
| H431 | C43 | C44 | H441 | 90.0° | 180.0° |
| H431 | C43 | C44 | H442 | 90.0° | 60.0° |
| H432 | C43 | C44 | C45 | 90.0° | 60.0° |
| H432 | C43 | C44 | H441 | 90.0° | 60.0° |
| H432 | C43 | C44 | H442 | 90.0° | 180.0° |
| C45 | C44 | H441 | H442 | 90.0° | 120.0° |
| C44 | C45 | C46 | H451 | 90.0° | 120.0° |
| C44 | C45 | C46 | H452 | 90.0° | 120.0° |
| C44 | C45 | H451 | H452 | 90.0° | 120.1° |
| C44 | C45 | C46 | H461 | 90.0° | 60.0° |
| C44 | C45 | C46 | H462 | 90.0° | 60.0° |
| C44 | C45 | C46 | H453 | 90.0° | 180.0° |
| H441 | C44 | C45 | C46 | 90.0° | 60.0° |
| H441 | C44 | C45 | H451 | 90.0° | 179.9° |
| H441 | C44 | C45 | H452 | 90.0° | 60.0° |
| H442 | C44 | C45 | C46 | 90.0° | 60.0° |
| H442 | C44 | C45 | H451 | 90.0° | 60.0° |
| H442 | C44 | C45 | H452 | 90.0° | 179.9° |
| C46 | C45 | H451 | H452 | 90.0° | 120.0° |
| C45 | C46 | H461 | H462 | 90.0° | 120.0° |
| C45 | C46 | H461 | H453 | 90.0° | 120.0° |
| C45 | C46 | H462 | H453 | 90.0° | 120.0° |
| H451 | C45 | C46 | H461 | 90.0° | 180.0° |
| H451 | C45 | C46 | H462 | 90.0° | 60.0° |
| H451 | C45 | C46 | H453 | 90.0° | 60.0° |
| H452 | C45 | C46 | H461 | 90.0° | 60.0° |
| H452 | C45 | C46 | H462 | 90.0° | 180.0° |
| H452 | C45 | C46 | H453 | 90.0° | 60.0° |
| H461 | C46 | H462 | H453 | 90.0° | 120.0° |
