A1D75
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | C22 | sing | 1.43Å | 1.38Å | |
| C22 | C24 | sing | 1.53Å | 1.50Å | |
| C22 | C19 | sing | 1.53Å | 1.49Å | |
| O10 | P01 | doub | 1.48Å | 1.45Å | |
| C24 | C20 | sing | 1.53Å | 1.52Å | |
| C24 | O08 | sing | 1.43Å | 1.37Å | |
| O05 | C21 | sing | 1.43Å | 1.34Å | |
| O03 | C19 | sing | 1.43Å | 1.38Å | |
| O03 | P01 | sing | 1.61Å | 1.60Å | |
| C20 | O04 | sing | 1.43Å | 1.40Å | |
| C20 | C23 | sing | 1.53Å | 1.51Å | |
| C19 | C21 | sing | 1.53Å | 1.48Å | |
| P01 | O13 | sing | 1.61Å | 1.45Å | |
| P01 | O09 | sing | 1.61Å | 1.65Å | |
| O04 | P02 | sing | 1.61Å | 1.65Å | |
| C59 | C57 | sing | 1.53Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.48Å | |
| O14 | P02 | doub | 1.48Å | 1.47Å | |
| O12 | P02 | sing | 1.61Å | 1.50Å | |
| C23 | O07 | sing | 1.43Å | 1.37Å | |
| C57 | C54 | sing | 1.53Å | 1.54Å | |
| O09 | C25 | sing | 1.43Å | 1.39Å | |
| P02 | O11 | sing | 1.61Å | 1.46Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C54 | C51 | sing | 1.53Å | 1.59Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | O16 | sing | 1.45Å | 1.42Å | |
| C26 | O15 | sing | 1.45Å | 1.36Å | |
| O15 | C48 | sing | 1.34Å | 1.44Å | |
| O16 | C55 | sing | 1.34Å | 1.43Å | |
| C55 | O18 | doub | 1.21Å | 1.16Å | |
| C55 | C52 | sing | 1.51Å | 1.58Å | |
| C51 | C46 | sing | 1.53Å | 1.58Å | |
| O17 | C48 | doub | 1.21Å | 1.15Å | |
| C52 | C49 | sing | 1.53Å | 1.56Å | |
| C48 | C47 | sing | 1.51Å | 1.53Å | |
| C41 | C46 | sing | 1.53Å | 1.58Å | |
| C41 | C37 | sing | 1.53Å | 1.57Å | |
| C47 | C43 | sing | 1.53Å | 1.53Å | |
| C49 | C45 | sing | 1.53Å | 1.58Å | |
| C33 | C37 | sing | 1.53Å | 1.57Å | |
| C33 | C32 | sing | 1.53Å | 1.59Å | |
| C42 | C45 | sing | 1.53Å | 1.57Å | |
| C42 | C38 | sing | 1.53Å | 1.55Å | |
| C34 | C32 | sing | 1.53Å | 1.54Å | |
| C34 | C38 | sing | 1.53Å | 1.56Å | |
| C43 | C40 | sing | 1.53Å | 1.53Å | |
| C40 | C36 | sing | 1.53Å | 1.52Å | |
| C36 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | C30 | sing | 1.53Å | 1.52Å | |
| C39 | C35 | sing | 1.53Å | 1.55Å | |
| C39 | C44 | sing | 1.53Å | 1.56Å | |
| C35 | C30 | sing | 1.53Å | 1.54Å | |
| C44 | C50 | sing | 1.53Å | 1.55Å | |
| C50 | C53 | sing | 1.53Å | 1.53Å | |
| C53 | C56 | sing | 1.53Å | 1.51Å | |
| C58 | C56 | sing | 1.53Å | 1.51Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| O05 | H051 | sing | 0.97Å | 0.95Å | |
| O06 | H061 | sing | 0.97Å | 0.95Å | |
| O07 | H071 | sing | 0.97Å | 0.95Å | |
| O08 | H081 | sing | 0.97Å | 0.95Å | |
| O11 | H1 | sing | 0.97Å | 0.95Å | |
| O12 | H2 | sing | 0.97Å | 0.95Å | |
| O13 | H3 | sing | 0.97Å | 0.95Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C56 | H562 | sing | 1.09Å | 1.10Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C57 | H572 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.09Å | 1.10Å | |
| C58 | H582 | sing | 1.09Å | 1.10Å | |
| C58 | H583 | sing | 1.09Å | 1.10Å | |
| C58 | H581 | sing | 1.09Å | 1.10Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| C59 | H593 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | C22 | C24 | 107.7° | 109.5° |
| O06 | C22 | C19 | 109.4° | 109.5° |
| O06 | C22 | H221 | 112.2° | 109.4° |
| C22 | O06 | H061 | 109.5° | 114.0° |
| C24 | C22 | C19 | 106.5° | 109.5° |
| C22 | C24 | C20 | 113.2° | 109.5° |
| C22 | C24 | O08 | 109.0° | 109.5° |
| C24 | C22 | H221 | 110.3° | 109.5° |
| C22 | C24 | H241 | 108.8° | 109.5° |
| C22 | C19 | O03 | 112.9° | 109.5° |
| C22 | C19 | C21 | 109.9° | 109.5° |
| C19 | C22 | H221 | 110.5° | 109.5° |
| C22 | C19 | H191 | 109.9° | 109.4° |
| O10 | P01 | O03 | 108.3° | 109.4° |
| O10 | P01 | O13 | 108.0° | 109.5° |
| O10 | P01 | O09 | 111.8° | 109.5° |
| C20 | C24 | O08 | 106.5° | 109.5° |
| C24 | C20 | O04 | 108.8° | 109.5° |
| C24 | C20 | C23 | 109.5° | 109.4° |
| C24 | C20 | H201 | 109.1° | 109.5° |
| C20 | C24 | H241 | 108.6° | 109.4° |
| O08 | C24 | H241 | 110.7° | 109.5° |
| C24 | O08 | H081 | 109.5° | 114.1° |
| O05 | C21 | C19 | 106.5° | 109.5° |
| O05 | C21 | C23 | 106.2° | 109.5° |
| O05 | C21 | H211 | 112.6° | 109.4° |
| C21 | O05 | H051 | 109.5° | 114.0° |
| C19 | O03 | P01 | 119.7° | 123.0° |
| O03 | C19 | C21 | 102.4° | 109.5° |
| O03 | C19 | H191 | 111.6° | 109.4° |
| O03 | P01 | O13 | 96.7° | 109.5° |
| O03 | P01 | O09 | 115.1° | 109.5° |
| O04 | C20 | C23 | 109.1° | 109.5° |
| C20 | O04 | P02 | 126.6° | 123.0° |
| O04 | C20 | H201 | 110.9° | 109.5° |
| C20 | C23 | C21 | 108.5° | 109.5° |
| C20 | C23 | O07 | 105.3° | 109.5° |
| C23 | C20 | H201 | 109.4° | 109.5° |
| C20 | C23 | H231 | 110.4° | 109.5° |
| C19 | C21 | C23 | 110.9° | 109.5° |
| C19 | C21 | H211 | 110.3° | 109.5° |
| C21 | C19 | H191 | 110.0° | 109.5° |
| O13 | P01 | O09 | 115.8° | 109.5° |
| P01 | O13 | H3 | 109.5° | 114.0° |
| P01 | O09 | C25 | 124.4° | 123.0° |
| O04 | P02 | O14 | 104.4° | 109.5° |
| O04 | P02 | O12 | 114.8° | 109.5° |
| O04 | P02 | O11 | 110.0° | 109.5° |
| C59 | C57 | C54 | 115.2° | 109.5° |
| C59 | C57 | H572 | 108.0° | 109.5° |
| C59 | C57 | H571 | 108.0° | 109.5° |
| C57 | C59 | H591 | 109.5° | 109.4° |
| C57 | C59 | H592 | 109.5° | 109.5° |
| C57 | C59 | H593 | 109.5° | 109.5° |
| C21 | C23 | O07 | 109.2° | 109.5° |
| C23 | C21 | H211 | 110.3° | 109.5° |
| C21 | C23 | H231 | 110.8° | 109.5° |
| O14 | P02 | O12 | 106.2° | 109.5° |
| O14 | P02 | O11 | 106.3° | 109.4° |
| O12 | P02 | O11 | 114.1° | 109.4° |
| P02 | O12 | H2 | 109.5° | 114.1° |
| C23 | O07 | H071 | 109.5° | 114.0° |
| O07 | C23 | H231 | 112.4° | 109.4° |
| C57 | C54 | C51 | 119.8° | 109.5° |
| C57 | C54 | H542 | 106.8° | 109.5° |
| C57 | C54 | H541 | 106.8° | 109.4° |
| C54 | C57 | H572 | 108.0° | 109.4° |
| C54 | C57 | H571 | 108.0° | 109.4° |
| O09 | C25 | C26 | 115.4° | 109.5° |
| O09 | C25 | H251 | 108.0° | 109.5° |
| O09 | C25 | H252 | 108.0° | 109.5° |
| P02 | O11 | H1 | 109.5° | 114.0° |
| C25 | C26 | C27 | 103.0° | 109.4° |
| C25 | C26 | O15 | 103.0° | 109.5° |
| C25 | C26 | H261 | 111.4° | 109.4° |
| C26 | C25 | H251 | 108.0° | 109.5° |
| C26 | C25 | H252 | 108.0° | 109.4° |
| C54 | C51 | C46 | 116.5° | 109.5° |
| C54 | C51 | H512 | 107.7° | 109.5° |
| C54 | C51 | H511 | 107.7° | 109.5° |
| C51 | C54 | H542 | 106.9° | 109.5° |
| C51 | C54 | H541 | 106.9° | 109.5° |
| C26 | C27 | O16 | 112.4° | 109.5° |
| C27 | C26 | O15 | 113.5° | 109.5° |
| C27 | C26 | H261 | 111.3° | 109.4° |
| C26 | C27 | H272 | 108.7° | 109.5° |
| C26 | C27 | H271 | 108.7° | 109.5° |
| C27 | O16 | C55 | 120.6° | 117.0° |
| O16 | C27 | H272 | 108.7° | 109.5° |
| O16 | C27 | H271 | 108.7° | 109.5° |
| C26 | O15 | C48 | 131.8° | 117.1° |
| O15 | C26 | H261 | 113.9° | 109.5° |
| O15 | C48 | O17 | 116.4° | 120.0° |
| O15 | C48 | C47 | 131.3° | 120.0° |
| O16 | C55 | O18 | 112.8° | 120.0° |
| O16 | C55 | C52 | 125.3° | 120.0° |
| O18 | C55 | C52 | 121.9° | 120.0° |
| C55 | C52 | C49 | 114.0° | 109.5° |
| C55 | C52 | H522 | 108.3° | 109.4° |
| C55 | C52 | H521 | 108.3° | 109.4° |
| C51 | C46 | C41 | 110.8° | 109.5° |
| C51 | C46 | H462 | 109.1° | 109.5° |
| C51 | C46 | H461 | 109.1° | 109.4° |
| C46 | C51 | H512 | 107.7° | 109.5° |
| C46 | C51 | H511 | 107.7° | 109.4° |
| O17 | C48 | C47 | 112.2° | 120.0° |
| C52 | C49 | C45 | 120.6° | 109.5° |
| C52 | C49 | H492 | 106.6° | 109.5° |
| C52 | C49 | H491 | 106.6° | 109.5° |
| C49 | C52 | H522 | 108.3° | 109.5° |
| C49 | C52 | H521 | 108.3° | 109.5° |
| C48 | C47 | C43 | 110.6° | 109.5° |
| C48 | C47 | H471 | 109.2° | 109.5° |
| C48 | C47 | H472 | 109.2° | 109.5° |
| C46 | C41 | C37 | 115.3° | 109.5° |
| C46 | C41 | H412 | 108.0° | 109.5° |
| C46 | C41 | H411 | 108.0° | 109.4° |
| C41 | C46 | H462 | 109.1° | 109.5° |
| C41 | C46 | H461 | 109.1° | 109.4° |
| C41 | C37 | C33 | 119.7° | 109.5° |
| C41 | C37 | H371 | 106.9° | 109.5° |
| C41 | C37 | H372 | 106.9° | 109.5° |
| C37 | C41 | H412 | 108.0° | 109.5° |
| C37 | C41 | H411 | 108.0° | 109.4° |
| C47 | C43 | C40 | 112.5° | 109.5° |
| C47 | C43 | H432 | 108.7° | 109.5° |
| C47 | C43 | H431 | 108.7° | 109.5° |
| C43 | C47 | H471 | 109.2° | 109.5° |
| C43 | C47 | H472 | 109.2° | 109.4° |
| C49 | C45 | C42 | 117.2° | 109.5° |
| C49 | C45 | H452 | 107.5° | 109.5° |
| C49 | C45 | H451 | 107.5° | 109.5° |
| C45 | C49 | H492 | 106.6° | 109.4° |
| C45 | C49 | H491 | 106.6° | 109.5° |
| C37 | C33 | C32 | 111.6° | 109.5° |
| C37 | C33 | H332 | 108.9° | 109.5° |
| C37 | C33 | H331 | 108.9° | 109.5° |
| C33 | C37 | H371 | 106.9° | 109.5° |
| C33 | C37 | H372 | 106.8° | 109.5° |
| C33 | C32 | C34 | 113.4° | 109.5° |
| C33 | C32 | H322 | 108.5° | 109.4° |
| C33 | C32 | H321 | 108.5° | 109.5° |
| C32 | C33 | H332 | 108.9° | 109.5° |
| C32 | C33 | H331 | 108.9° | 109.4° |
| C45 | C42 | C38 | 118.2° | 109.5° |
| C45 | C42 | H422 | 107.3° | 109.4° |
| C45 | C42 | H421 | 107.2° | 109.5° |
| C42 | C45 | H452 | 107.5° | 109.5° |
| C42 | C45 | H451 | 107.5° | 109.4° |
| C42 | C38 | C34 | 106.7° | 109.5° |
| C42 | C38 | H381 | 110.1° | 109.4° |
| C42 | C38 | H382 | 110.2° | 109.5° |
| C38 | C42 | H422 | 107.2° | 109.4° |
| C38 | C42 | H421 | 107.3° | 109.5° |
| C32 | C34 | C38 | 115.4° | 109.5° |
| C34 | C32 | H322 | 108.5° | 109.5° |
| C34 | C32 | H321 | 108.5° | 109.5° |
| C32 | C34 | H341 | 108.0° | 109.5° |
| C32 | C34 | H342 | 108.0° | 109.5° |
| C38 | C34 | H341 | 108.0° | 109.5° |
| C38 | C34 | H342 | 108.0° | 109.5° |
| C34 | C38 | H381 | 110.2° | 109.4° |
| C34 | C38 | H382 | 110.2° | 109.4° |
| C43 | C40 | C36 | 104.8° | 109.5° |
| C43 | C40 | H401 | 110.6° | 109.5° |
| C43 | C40 | H402 | 110.6° | 109.5° |
| C40 | C43 | H432 | 108.7° | 109.5° |
| C40 | C43 | H431 | 108.7° | 109.5° |
| C40 | C36 | C31 | 111.5° | 109.4° |
| C40 | C36 | H362 | 108.9° | 109.5° |
| C40 | C36 | H361 | 109.0° | 109.5° |
| C36 | C40 | H401 | 110.6° | 109.4° |
| C36 | C40 | H402 | 110.6° | 109.5° |
| C36 | C31 | C29 | 112.3° | 109.5° |
| C36 | C31 | H311 | 108.8° | 109.5° |
| C36 | C31 | H312 | 108.7° | 109.4° |
| C31 | C36 | H362 | 109.0° | 109.5° |
| C31 | C36 | H361 | 109.0° | 109.4° |
| C31 | C29 | C28 | 104.2° | 109.5° |
| C31 | C29 | H292 | 110.8° | 109.5° |
| C31 | C29 | H291 | 110.8° | 109.4° |
| C29 | C31 | H311 | 108.7° | 109.5° |
| C29 | C31 | H312 | 108.7° | 109.5° |
| C29 | C28 | C30 | 115.3° | 109.4° |
| C29 | C28 | H282 | 108.0° | 109.4° |
| C29 | C28 | H281 | 108.0° | 109.5° |
| C28 | C29 | H292 | 110.8° | 109.5° |
| C28 | C29 | H291 | 110.8° | 109.5° |
| C28 | C30 | C35 | 108.0° | 109.4° |
| C30 | C28 | H282 | 108.0° | 109.5° |
| C30 | C28 | H281 | 108.0° | 109.5° |
| C28 | C30 | H301 | 109.9° | 109.5° |
| C28 | C30 | H302 | 109.8° | 109.5° |
| C35 | C39 | C44 | 118.5° | 109.5° |
| C39 | C35 | C30 | 112.4° | 109.5° |
| C39 | C35 | H352 | 108.7° | 109.5° |
| C39 | C35 | H351 | 108.8° | 109.5° |
| C35 | C39 | H392 | 107.2° | 109.5° |
| C35 | C39 | H391 | 107.2° | 109.5° |
| C39 | C44 | C50 | 106.4° | 109.5° |
| C44 | C39 | H392 | 107.2° | 109.4° |
| C44 | C39 | H391 | 107.2° | 109.5° |
| C39 | C44 | H441 | 110.2° | 109.4° |
| C39 | C44 | H442 | 110.2° | 109.4° |
| C35 | C30 | H301 | 109.8° | 109.4° |
| C35 | C30 | H302 | 109.9° | 109.4° |
| C30 | C35 | H352 | 108.7° | 109.5° |
| C30 | C35 | H351 | 108.7° | 109.4° |
| C44 | C50 | C53 | 117.3° | 109.5° |
| C50 | C44 | H441 | 110.2° | 109.5° |
| C50 | C44 | H442 | 110.3° | 109.5° |
| C44 | C50 | H502 | 107.5° | 109.5° |
| C44 | C50 | H501 | 107.5° | 109.5° |
| C50 | C53 | C56 | 112.6° | 109.5° |
| C53 | C50 | H502 | 107.5° | 109.5° |
| C53 | C50 | H501 | 107.5° | 109.5° |
| C50 | C53 | H531 | 108.7° | 109.5° |
| C50 | C53 | H532 | 108.7° | 109.5° |
| C53 | C56 | C58 | 104.2° | 109.5° |
| C56 | C53 | H531 | 108.7° | 109.4° |
| C56 | C53 | H532 | 108.7° | 109.5° |
| C53 | C56 | H562 | 110.8° | 109.5° |
| C53 | C56 | H561 | 110.8° | 109.5° |
| C58 | C56 | H562 | 110.8° | 109.4° |
| C58 | C56 | H561 | 110.8° | 109.5° |
| C56 | C58 | H582 | 109.5° | 109.4° |
| C56 | C58 | H583 | 109.5° | 109.5° |
| C56 | C58 | H581 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.4° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.4° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H332 | C33 | H331 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.4° |
| H352 | C35 | H351 | 109.4° | 109.4° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.4° | 109.4° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H392 | C39 | H391 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H412 | C41 | H411 | 109.5° | 109.5° |
| H422 | C42 | H421 | 109.5° | 109.5° |
| H432 | C43 | H431 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H452 | C45 | H451 | 109.5° | 109.5° |
| H462 | C46 | H461 | 109.5° | 109.5° |
| H471 | C47 | H472 | 109.5° | 109.5° |
| H492 | C49 | H491 | 109.5° | 109.5° |
| H502 | C50 | H501 | 109.5° | 109.4° |
| H512 | C51 | H511 | 109.5° | 109.5° |
| H522 | C52 | H521 | 109.5° | 109.5° |
| H531 | C53 | H532 | 109.5° | 109.5° |
| H542 | C54 | H541 | 109.4° | 109.5° |
| H562 | C56 | H561 | 109.5° | 109.5° |
| H572 | C57 | H571 | 109.5° | 109.5° |
| H582 | C58 | H583 | 109.5° | 109.5° |
| H582 | C58 | H581 | 109.5° | 109.5° |
| H583 | C58 | H581 | 109.5° | 109.5° |
| H591 | C59 | H592 | 109.5° | 109.5° |
| H591 | C59 | H593 | 109.5° | 109.4° |
| H592 | C59 | H593 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C22 | C24 | C19 | 117.3° | 120.0° |
| O06 | C22 | C24 | H221 | 122.8° | 120.0° |
| O06 | C22 | C19 | H221 | 124.0° | 120.0° |
| O06 | C22 | C24 | C20 | 174.5° | 180.0° |
| O06 | C22 | C24 | O08 | 56.2° | 60.0° |
| O06 | C22 | C19 | O03 | 69.7° | 60.0° |
| O06 | C22 | C19 | C21 | 176.7° | 180.0° |
| O06 | C22 | C24 | H241 | 64.6° | 60.1° |
| O06 | C22 | C19 | H191 | 55.5° | 60.0° |
| C24 | C22 | C19 | H221 | 119.8° | 120.0° |
| C22 | C24 | C20 | O08 | 119.8° | 120.0° |
| C22 | C24 | C20 | H241 | 121.0° | 119.9° |
| C22 | C24 | O08 | H241 | 119.7° | 120.0° |
| C24 | C22 | C19 | O03 | 174.1° | 180.0° |
| C22 | C24 | C20 | O04 | 175.0° | 180.0° |
| C22 | C24 | C20 | C23 | 55.8° | 60.0° |
| C24 | C22 | C19 | C21 | 60.5° | 60.0° |
| C22 | C24 | C20 | H201 | 63.8° | 60.0° |
| C24 | C22 | O06 | H061 | 180.0° | 60.0° |
| C22 | C24 | O08 | H081 | 180.0° | 59.9° |
| C24 | C22 | C19 | H191 | 60.7° | 60.0° |
| C19 | C22 | C24 | C20 | 57.3° | 60.0° |
| C19 | C22 | C24 | O08 | 61.1° | 60.1° |
| C22 | C19 | C21 | O05 | 49.8° | 60.1° |
| C22 | C19 | O03 | C21 | 118.1° | 120.1° |
| C22 | C19 | O03 | H191 | 124.3° | 119.9° |
| C22 | C19 | O03 | P01 | 104.1° | 119.9° |
| C22 | C19 | C21 | H191 | 121.1° | 120.0° |
| C22 | C19 | C21 | C23 | 65.3° | 60.0° |
| C22 | C19 | C21 | H211 | 172.2° | 180.0° |
| C19 | C22 | C24 | H241 | 178.1° | 179.9° |
| C19 | C22 | O06 | H061 | 64.6° | 180.0° |
| O10 | P01 | O03 | C19 | 100.0° | 55.1° |
| O10 | P01 | O03 | O13 | 111.5° | 120.0° |
| O10 | P01 | O03 | O09 | 126.0° | 120.0° |
| O10 | P01 | O13 | O09 | 126.1° | 120.0° |
| O10 | P01 | O09 | C25 | 46.7° | 55.0° |
| O10 | P01 | O13 | H3 | 0.0° | 180.0° |
| C20 | C24 | O08 | H241 | 117.8° | 120.0° |
| C24 | C20 | O04 | C23 | 119.4° | 120.0° |
| C24 | C20 | O04 | H201 | 120.1° | 120.0° |
| C24 | C20 | C23 | H201 | 119.5° | 120.0° |
| C24 | C20 | O04 | P02 | 169.5° | 120.0° |
| C24 | C20 | C23 | C21 | 55.1° | 60.0° |
| C24 | C20 | C23 | O07 | 61.8° | 60.1° |
| C20 | C24 | C22 | H221 | 62.7° | 60.0° |
| C20 | C24 | O08 | H081 | 57.5° | 180.0° |
| C24 | C20 | C23 | H231 | 176.7° | 180.0° |
| O08 | C24 | C20 | O04 | 55.2° | 60.0° |
| O08 | C24 | C20 | C23 | 64.0° | 60.0° |
| O08 | C24 | C20 | H201 | 176.4° | 180.0° |
| O08 | C24 | C22 | H221 | 179.0° | 180.0° |
| O05 | C21 | C19 | O03 | 70.4° | 60.0° |
| O05 | C21 | C23 | C20 | 54.1° | 60.0° |
| O05 | C21 | C19 | C23 | 115.1° | 120.0° |
| O05 | C21 | C19 | H211 | 122.4° | 119.9° |
| O05 | C21 | C23 | H211 | 122.2° | 119.9° |
| O05 | C21 | C23 | O07 | 168.4° | 179.9° |
| O05 | C21 | C19 | H191 | 170.9° | 180.0° |
| O05 | C21 | C23 | H231 | 67.2° | 60.0° |
| O03 | C19 | C21 | H191 | 118.7° | 120.0° |
| C19 | O03 | P01 | O13 | 148.5° | 64.9° |
| C19 | O03 | P01 | O09 | 26.0° | 175.0° |
| O03 | C19 | C21 | C23 | 174.5° | 180.0° |
| O03 | C19 | C21 | H211 | 52.1° | 59.9° |
| O03 | C19 | C22 | H221 | 54.3° | 60.0° |
| P01 | O03 | C19 | C21 | 137.8° | 120.0° |
| O03 | P01 | O13 | O09 | 122.1° | 120.0° |
| O03 | P01 | O09 | C25 | 170.9° | 175.0° |
| O03 | P01 | O13 | H3 | 111.8° | 60.0° |
| P01 | O03 | C19 | H191 | 20.2° | 0.0° |
| O04 | C20 | C23 | H201 | 121.4° | 120.0° |
| O04 | C20 | C23 | C21 | 174.1° | 180.0° |
| C20 | O04 | P02 | O14 | 163.0° | 55.0° |
| C20 | O04 | P02 | O12 | 47.1° | 175.0° |
| O04 | C20 | C23 | O07 | 57.3° | 59.9° |
| C20 | O04 | P02 | O11 | 83.3° | 65.0° |
| O04 | C20 | C24 | H241 | 64.0° | 60.0° |
| O04 | C20 | C23 | H231 | 64.3° | 60.0° |
| C20 | C23 | C21 | C19 | 61.2° | 60.0° |
| C23 | C20 | O04 | P02 | 50.1° | 120.0° |
| C20 | C23 | C21 | O07 | 114.3° | 120.0° |
| C20 | C23 | C21 | H231 | 121.4° | 120.0° |
| C20 | C23 | O07 | H231 | 120.3° | 120.0° |
| C20 | C23 | C21 | H211 | 176.4° | 180.0° |
| C23 | C20 | C24 | H241 | 176.8° | 179.9° |
| C20 | C23 | O07 | H071 | 180.0° | 180.0° |
| C19 | C21 | C23 | H211 | 122.5° | 120.0° |
| C19 | C21 | C23 | O07 | 53.1° | 60.0° |
| C21 | C19 | C22 | H221 | 59.3° | 60.1° |
| C19 | C21 | O05 | H051 | 180.0° | 180.0° |
| C19 | C21 | C23 | H231 | 177.5° | 180.0° |
| O13 | P01 | O09 | C25 | 77.5° | 65.0° |
| P01 | O09 | C25 | C26 | 133.7° | 180.0° |
| O09 | P01 | O13 | H3 | 126.1° | 60.0° |
| P01 | O09 | C25 | H251 | 12.8° | 60.0° |
| P01 | O09 | C25 | H252 | 105.5° | 60.0° |
| O04 | P02 | O14 | O12 | 121.7° | 120.0° |
| O04 | P02 | O14 | O11 | 116.4° | 120.0° |
| O04 | P02 | O12 | O11 | 128.3° | 120.0° |
| P02 | O04 | C20 | H201 | 70.4° | 0.0° |
| O04 | P02 | O11 | H1 | 112.6° | 60.0° |
| O04 | P02 | O12 | H2 | 114.9° | 180.0° |
| C59 | C57 | C54 | H572 | 120.8° | 120.0° |
| C59 | C57 | C54 | H571 | 120.9° | 120.0° |
| C59 | C57 | C54 | C51 | 139.4° | 180.0° |
| C59 | C57 | C54 | H542 | 17.9° | 60.0° |
| C59 | C57 | C54 | H541 | 99.1° | 60.0° |
| C59 | C57 | H572 | H571 | 117.4° | 120.1° |
| C57 | C59 | H591 | H592 | 120.0° | 120.0° |
| C57 | C59 | H591 | H593 | 120.0° | 119.9° |
| C57 | C59 | H592 | H593 | 120.0° | 120.0° |
| C21 | C23 | O07 | H231 | 123.4° | 120.0° |
| C21 | C23 | C20 | H201 | 64.4° | 60.0° |
| C23 | C21 | O05 | H051 | 61.8° | 59.9° |
| C21 | C23 | O07 | H071 | 63.7° | 60.0° |
| C23 | C21 | C19 | H191 | 55.8° | 60.0° |
| O14 | P02 | O12 | O11 | 116.8° | 119.9° |
| O14 | P02 | O11 | H1 | 0.0° | 180.0° |
| O14 | P02 | O12 | H2 | 0.0° | 59.9° |
| O12 | P02 | O11 | H1 | 116.7° | 60.1° |
| O07 | C23 | C20 | H201 | 178.7° | 180.0° |
| O07 | C23 | C21 | H211 | 69.3° | 60.0° |
| C57 | C54 | C51 | H542 | 121.5° | 120.0° |
| C57 | C54 | C51 | H541 | 121.5° | 120.0° |
| C57 | C54 | C51 | C46 | 124.3° | 180.0° |
| C57 | C54 | C51 | H512 | 114.7° | 60.0° |
| C57 | C54 | C51 | H511 | 3.2° | 60.0° |
| C57 | C54 | H542 | H541 | 115.3° | 120.0° |
| C54 | C57 | H572 | H571 | 117.4° | 120.0° |
| C54 | C57 | C59 | H591 | 180.0° | 60.0° |
| C54 | C57 | C59 | H592 | 60.0° | 180.0° |
| C54 | C57 | C59 | H593 | 60.0° | 60.0° |
| O09 | C25 | C26 | H251 | 120.8° | 120.0° |
| O09 | C25 | C26 | H252 | 120.9° | 120.0° |
| O09 | C25 | C26 | C27 | 153.4° | 55.0° |
| O09 | C25 | C26 | O15 | 88.4° | 65.0° |
| O09 | C25 | C26 | H261 | 34.1° | 175.0° |
| O09 | C25 | H251 | H252 | 117.3° | 120.0° |
| O11 | P02 | O12 | H2 | 116.8° | 60.0° |
| C25 | C26 | C27 | O15 | 110.6° | 120.0° |
| C25 | C26 | C27 | H261 | 119.4° | 119.9° |
| C25 | C26 | C27 | O16 | 98.7° | 55.1° |
| C25 | C26 | O15 | H261 | 120.7° | 120.0° |
| C25 | C26 | O15 | C48 | 139.8° | 90.0° |
| C26 | C25 | H251 | H252 | 117.3° | 120.0° |
| C25 | C26 | C27 | H272 | 21.7° | 175.1° |
| C25 | C26 | C27 | H271 | 140.8° | 65.0° |
| C54 | C51 | C46 | H512 | 121.0° | 120.0° |
| C54 | C51 | C46 | H511 | 121.0° | 120.0° |
| C54 | C51 | C46 | C41 | 56.2° | 180.0° |
| C54 | C51 | C46 | H462 | 64.0° | 60.0° |
| C54 | C51 | C46 | H461 | 176.4° | 60.0° |
| C54 | C51 | H512 | H511 | 116.8° | 120.0° |
| C51 | C54 | H542 | H541 | 115.4° | 120.0° |
| C51 | C54 | C57 | H572 | 99.8° | 60.0° |
| C51 | C54 | C57 | H571 | 18.5° | 60.0° |
| C26 | C27 | O16 | H272 | 120.4° | 120.0° |
| C26 | C27 | O16 | H271 | 120.4° | 120.1° |
| C27 | C26 | O15 | H261 | 128.7° | 120.0° |
| C27 | C26 | O15 | C48 | 29.2° | 150.0° |
| C26 | C27 | O16 | C55 | 159.1° | 180.0° |
| C27 | C26 | C25 | H251 | 32.5° | 65.0° |
| C27 | C26 | C25 | H252 | 85.8° | 175.0° |
| C26 | C27 | H272 | H271 | 118.7° | 120.0° |
| O16 | C27 | C26 | O15 | 150.7° | 65.0° |
| C27 | O16 | C55 | O18 | 179.0° | 0.1° |
| C27 | O16 | C55 | C52 | 3.3° | 180.0° |
| O16 | C27 | C26 | H261 | 20.7° | 175.0° |
| O16 | C27 | H272 | H271 | 118.6° | 120.0° |
| C26 | O15 | C48 | O17 | 162.4° | 0.0° |
| C26 | O15 | C48 | C47 | 19.4° | 180.0° |
| O15 | C26 | C25 | H251 | 150.8° | 175.0° |
| O15 | C26 | C25 | H252 | 32.5° | 55.0° |
| O15 | C26 | C27 | H272 | 88.9° | 55.0° |
| O15 | C26 | C27 | H271 | 30.2° | 175.0° |
| O15 | C48 | O17 | C47 | 178.6° | 180.0° |
| O15 | C48 | C47 | C43 | 144.3° | 180.0° |
| C48 | O15 | C26 | H261 | 99.5° | 30.0° |
| O15 | C48 | C47 | H471 | 24.1° | 60.0° |
| O15 | C48 | C47 | H472 | 95.6° | 60.1° |
| O16 | C55 | O18 | C52 | 177.7° | 179.9° |
| O16 | C55 | C52 | C49 | 137.1° | 179.9° |
| C55 | O16 | C27 | H272 | 80.4° | 60.0° |
| C55 | O16 | C27 | H271 | 38.7° | 59.9° |
| O16 | C55 | C52 | H522 | 102.3° | 59.9° |
| O16 | C55 | C52 | H521 | 16.4° | 60.0° |
| O18 | C55 | C52 | C49 | 40.4° | 0.0° |
| O18 | C55 | C52 | H522 | 80.3° | 120.0° |
| O18 | C55 | C52 | H521 | 161.0° | 120.1° |
| C55 | C52 | C49 | H522 | 120.7° | 120.0° |
| C55 | C52 | C49 | H521 | 120.7° | 120.0° |
| C55 | C52 | C49 | C45 | 148.0° | 180.0° |
| C55 | C52 | C49 | H492 | 26.4° | 60.0° |
| C55 | C52 | C49 | H491 | 90.5° | 60.0° |
| C55 | C52 | H522 | H521 | 118.0° | 119.9° |
| C51 | C46 | C41 | H462 | 120.2° | 120.0° |
| C51 | C46 | C41 | H461 | 120.2° | 120.0° |
| C51 | C46 | C41 | C37 | 166.4° | 180.0° |
| C51 | C46 | C41 | H412 | 72.8° | 60.0° |
| C51 | C46 | C41 | H411 | 45.5° | 60.0° |
| C51 | C46 | H462 | H461 | 119.4° | 120.0° |
| C46 | C51 | H512 | H511 | 116.8° | 120.0° |
| C46 | C51 | C54 | H542 | 2.8° | 60.0° |
| C46 | C51 | C54 | H541 | 114.3° | 60.0° |
| O17 | C48 | C47 | C43 | 34.0° | 0.0° |
| O17 | C48 | C47 | H471 | 154.2° | 120.0° |
| O17 | C48 | C47 | H472 | 86.1° | 119.9° |
| C52 | C49 | C45 | H492 | 121.5° | 120.0° |
| C52 | C49 | C45 | H491 | 121.5° | 120.0° |
| C52 | C49 | C45 | C42 | 60.8° | 180.0° |
| C52 | C49 | C45 | H452 | 60.3° | 60.0° |
| C52 | C49 | C45 | H451 | 178.1° | 60.0° |
| C52 | C49 | H492 | H491 | 115.0° | 120.1° |
| C49 | C52 | H522 | H521 | 117.9° | 120.1° |
| C48 | C47 | C43 | H471 | 120.2° | 120.0° |
| C48 | C47 | C43 | H472 | 120.1° | 120.0° |
| C48 | C47 | C43 | C40 | 166.0° | 180.0° |
| C48 | C47 | C43 | H432 | 45.5° | 60.0° |
| C48 | C47 | C43 | H431 | 73.6° | 60.0° |
| C48 | C47 | H471 | H472 | 119.5° | 120.0° |
| C46 | C41 | C37 | H412 | 120.8° | 120.0° |
| C46 | C41 | C37 | H411 | 120.9° | 119.9° |
| C46 | C41 | C37 | C33 | 148.6° | 180.0° |
| C46 | C41 | C37 | H371 | 27.1° | 60.0° |
| C46 | C41 | C37 | H372 | 90.0° | 60.0° |
| C46 | C41 | H412 | H411 | 117.4° | 120.0° |
| C41 | C46 | H462 | H461 | 119.4° | 120.0° |
| C41 | C46 | C51 | H512 | 177.2° | 60.0° |
| C41 | C46 | C51 | H511 | 64.8° | 60.1° |
| C41 | C37 | C33 | H371 | 121.5° | 120.0° |
| C41 | C37 | C33 | H372 | 121.5° | 120.0° |
| C41 | C37 | C33 | C32 | 143.6° | 180.0° |
| C41 | C37 | C33 | H332 | 96.1° | 60.0° |
| C41 | C37 | C33 | H331 | 23.2° | 60.0° |
| C41 | C37 | H371 | H372 | 115.4° | 120.0° |
| C37 | C41 | H412 | H411 | 117.3° | 120.0° |
| C37 | C41 | C46 | H462 | 46.2° | 60.0° |
| C37 | C41 | C46 | H461 | 73.4° | 60.0° |
| C47 | C43 | C40 | H432 | 120.5° | 120.0° |
| C47 | C43 | C40 | H431 | 120.5° | 120.0° |
| C47 | C43 | C40 | C36 | 157.1° | 180.0° |
| C47 | C43 | C40 | H401 | 37.8° | 60.0° |
| C47 | C43 | C40 | H402 | 83.7° | 60.0° |
| C47 | C43 | H432 | H431 | 118.6° | 120.0° |
| C43 | C47 | H471 | H472 | 119.5° | 120.0° |
| C49 | C45 | C42 | H452 | 121.1° | 120.0° |
| C49 | C45 | C42 | H451 | 121.1° | 120.0° |
| C49 | C45 | C42 | C38 | 153.6° | 180.0° |
| C49 | C45 | C42 | H422 | 32.4° | 60.0° |
| C49 | C45 | C42 | H421 | 85.1° | 60.0° |
| C49 | C45 | H452 | H451 | 116.5° | 120.0° |
| C45 | C49 | H492 | H491 | 115.0° | 120.0° |
| C45 | C49 | C52 | H522 | 91.4° | 60.0° |
| C45 | C49 | C52 | H521 | 27.3° | 60.0° |
| C37 | C33 | C32 | H332 | 120.3° | 120.0° |
| C37 | C33 | C32 | H331 | 120.3° | 120.0° |
| C37 | C33 | C32 | C34 | 171.5° | 180.0° |
| C37 | C33 | C32 | H322 | 51.0° | 60.0° |
| C37 | C33 | C32 | H321 | 67.9° | 60.0° |
| C37 | C33 | H332 | H331 | 119.0° | 120.0° |
| C33 | C37 | H371 | H372 | 115.3° | 120.0° |
| C33 | C37 | C41 | H412 | 90.5° | 60.0° |
| C33 | C37 | C41 | H411 | 27.8° | 60.0° |
| C33 | C32 | C34 | H322 | 120.6° | 120.0° |
| C33 | C32 | C34 | H321 | 120.6° | 120.0° |
| C33 | C32 | C34 | C38 | 163.7° | 180.0° |
| C33 | C32 | H322 | H321 | 118.2° | 120.0° |
| C32 | C33 | H332 | H331 | 119.0° | 120.0° |
| C33 | C32 | C34 | H341 | 42.8° | 60.0° |
| C33 | C32 | C34 | H342 | 75.4° | 60.0° |
| C32 | C33 | C37 | H371 | 22.1° | 60.0° |
| C32 | C33 | C37 | H372 | 95.0° | 60.0° |
| C45 | C42 | C38 | H422 | 121.2° | 120.0° |
| C45 | C42 | C38 | H421 | 121.2° | 120.0° |
| C45 | C42 | C38 | C34 | 153.9° | 180.0° |
| C45 | C42 | C38 | H381 | 34.3° | 60.0° |
| C45 | C42 | C38 | H382 | 86.5° | 60.0° |
| C45 | C42 | H422 | H421 | 116.0° | 120.0° |
| C42 | C45 | H452 | H451 | 116.5° | 120.0° |
| C42 | C45 | C49 | H492 | 177.6° | 60.0° |
| C42 | C45 | C49 | H491 | 60.7° | 60.0° |
| C42 | C38 | C34 | C32 | 173.8° | 180.0° |
| C42 | C38 | C34 | H381 | 119.6° | 119.9° |
| C42 | C38 | C34 | H382 | 119.6° | 120.1° |
| C42 | C38 | C34 | H341 | 65.3° | 60.0° |
| C42 | C38 | C34 | H342 | 52.9° | 60.0° |
| C42 | C38 | H381 | H382 | 121.3° | 120.1° |
| C38 | C42 | H422 | H421 | 116.1° | 120.0° |
| C38 | C42 | C45 | H452 | 85.3° | 60.0° |
| C38 | C42 | C45 | H451 | 32.5° | 60.0° |
| C32 | C34 | C38 | H341 | 120.9° | 120.0° |
| C32 | C34 | C38 | H342 | 120.9° | 120.0° |
| C34 | C32 | H322 | H321 | 118.2° | 120.0° |
| C34 | C32 | C33 | H332 | 68.1° | 60.0° |
| C34 | C32 | C33 | H331 | 51.2° | 60.0° |
| C32 | C34 | H341 | H342 | 117.3° | 120.0° |
| C32 | C34 | C38 | H381 | 66.6° | 60.0° |
| C32 | C34 | C38 | H382 | 54.2° | 60.0° |
| C38 | C34 | C32 | H322 | 75.7° | 60.0° |
| C38 | C34 | C32 | H321 | 43.1° | 60.0° |
| C38 | C34 | H341 | H342 | 117.3° | 120.0° |
| C34 | C38 | H381 | H382 | 121.3° | 120.0° |
| C34 | C38 | C42 | H422 | 84.9° | 60.0° |
| C34 | C38 | C42 | H421 | 32.7° | 60.0° |
| C43 | C40 | C36 | H401 | 119.2° | 120.0° |
| C43 | C40 | C36 | H402 | 119.2° | 120.0° |
| C43 | C40 | C36 | C31 | 112.5° | 180.0° |
| C43 | C40 | C36 | H362 | 7.8° | 60.1° |
| C43 | C40 | C36 | H361 | 127.2° | 60.0° |
| C43 | C40 | H401 | H402 | 122.2° | 120.0° |
| C40 | C43 | H432 | H431 | 118.6° | 120.0° |
| C40 | C43 | C47 | H471 | 73.9° | 60.0° |
| C40 | C43 | C47 | H472 | 45.8° | 60.0° |
| C40 | C36 | C31 | H362 | 120.3° | 120.0° |
| C40 | C36 | C31 | H361 | 120.3° | 120.0° |
| C40 | C36 | C31 | C29 | 173.6° | 180.0° |
| C40 | C36 | C31 | H311 | 66.0° | 60.0° |
| C40 | C36 | C31 | H312 | 53.2° | 60.0° |
| C40 | C36 | H362 | H361 | 119.1° | 120.0° |
| C36 | C40 | H401 | H402 | 122.2° | 120.0° |
| C36 | C40 | C43 | H432 | 82.5° | 60.0° |
| C36 | C40 | C43 | H431 | 36.6° | 60.0° |
| C36 | C31 | C29 | H311 | 120.4° | 120.0° |
| C36 | C31 | C29 | H312 | 120.4° | 120.0° |
| C36 | C31 | C29 | C28 | 174.5° | 180.0° |
| C36 | C31 | C29 | H292 | 55.3° | 60.0° |
| C36 | C31 | C29 | H291 | 66.4° | 60.0° |
| C36 | C31 | H311 | H312 | 118.7° | 120.0° |
| C31 | C36 | H362 | H361 | 119.1° | 120.0° |
| C31 | C36 | C40 | H401 | 128.3° | 60.0° |
| C31 | C36 | C40 | H402 | 6.8° | 60.0° |
| C31 | C29 | C28 | H292 | 119.2° | 120.0° |
| C31 | C29 | C28 | H291 | 119.1° | 120.0° |
| C31 | C29 | C28 | C30 | 135.2° | 180.0° |
| C31 | C29 | C28 | H282 | 14.4° | 60.0° |
| C31 | C29 | C28 | H281 | 103.9° | 60.0° |
| C31 | C29 | H292 | H291 | 122.5° | 119.9° |
| C29 | C31 | H311 | H312 | 118.7° | 120.0° |
| C29 | C31 | C36 | H362 | 53.3° | 60.0° |
| C29 | C31 | C36 | H361 | 66.1° | 60.0° |
| C29 | C28 | C30 | H282 | 120.9° | 119.9° |
| C29 | C28 | C30 | H281 | 120.9° | 120.0° |
| C29 | C28 | C30 | C35 | 178.3° | 180.0° |
| C29 | C28 | H282 | H281 | 117.4° | 120.0° |
| C28 | C29 | H292 | H291 | 122.5° | 120.1° |
| C29 | C28 | C30 | H301 | 61.9° | 60.1° |
| C29 | C28 | C30 | H302 | 58.5° | 60.0° |
| C28 | C29 | C31 | H311 | 65.1° | 60.0° |
| C28 | C29 | C31 | H312 | 54.1° | 60.0° |
| C28 | C30 | C35 | C39 | 83.4° | 180.0° |
| C28 | C30 | C35 | H301 | 119.8° | 120.0° |
| C28 | C30 | C35 | H302 | 119.8° | 120.0° |
| C30 | C28 | H282 | H281 | 117.4° | 120.1° |
| C30 | C28 | C29 | H292 | 105.6° | 60.0° |
| C30 | C28 | C29 | H291 | 16.1° | 60.0° |
| C28 | C30 | H301 | H302 | 120.7° | 120.1° |
| C28 | C30 | C35 | H352 | 156.2° | 60.0° |
| C28 | C30 | C35 | H351 | 37.1° | 60.0° |
| C35 | C39 | C44 | H392 | 121.3° | 120.0° |
| C35 | C39 | C44 | H391 | 121.3° | 120.0° |
| C39 | C35 | C30 | H352 | 120.4° | 120.0° |
| C39 | C35 | C30 | H351 | 120.5° | 120.0° |
| C35 | C39 | C44 | C50 | 129.0° | 180.0° |
| C39 | C35 | C30 | H301 | 156.8° | 60.0° |
| C39 | C35 | C30 | H302 | 36.4° | 60.0° |
| C39 | C35 | H352 | H351 | 118.7° | 120.0° |
| C35 | C39 | H392 | H391 | 115.9° | 120.0° |
| C35 | C39 | C44 | H441 | 111.4° | 60.0° |
| C35 | C39 | C44 | H442 | 9.5° | 60.0° |
| C44 | C39 | C35 | C30 | 139.1° | 180.0° |
| C39 | C44 | C50 | H441 | 119.5° | 120.0° |
| C39 | C44 | C50 | H442 | 119.5° | 120.0° |
| C39 | C44 | C50 | C53 | 155.2° | 180.0° |
| C44 | C39 | C35 | H352 | 18.7° | 60.0° |
| C44 | C39 | C35 | H351 | 100.4° | 60.0° |
| C44 | C39 | H392 | H391 | 115.9° | 120.0° |
| C39 | C44 | H441 | H442 | 121.4° | 119.9° |
| C39 | C44 | C50 | H502 | 83.7° | 60.0° |
| C39 | C44 | C50 | H501 | 34.1° | 59.9° |
| C35 | C30 | C28 | H282 | 57.4° | 60.0° |
| C35 | C30 | C28 | H281 | 60.8° | 60.0° |
| C35 | C30 | H301 | H302 | 120.7° | 120.0° |
| C30 | C35 | H352 | H351 | 118.6° | 119.9° |
| C30 | C35 | C39 | H392 | 17.8° | 60.0° |
| C30 | C35 | C39 | H391 | 99.6° | 60.0° |
| C44 | C50 | C53 | H502 | 121.1° | 120.0° |
| C44 | C50 | C53 | H501 | 121.1° | 120.1° |
| C44 | C50 | C53 | C56 | 106.5° | 180.0° |
| C50 | C44 | C39 | H392 | 7.8° | 60.0° |
| C50 | C44 | C39 | H391 | 109.7° | 60.0° |
| C50 | C44 | H441 | H442 | 121.5° | 120.1° |
| C44 | C50 | H502 | H501 | 116.4° | 120.0° |
| C44 | C50 | C53 | H531 | 133.0° | 60.0° |
| C44 | C50 | C53 | H532 | 13.9° | 60.0° |
| C50 | C53 | C56 | H531 | 120.4° | 120.0° |
| C50 | C53 | C56 | H532 | 120.5° | 120.0° |
| C50 | C53 | C56 | C58 | 149.6° | 180.0° |
| C53 | C50 | C44 | H441 | 35.7° | 60.1° |
| C53 | C50 | C44 | H442 | 85.3° | 60.0° |
| C53 | C50 | H502 | H501 | 116.4° | 120.0° |
| C50 | C53 | H531 | H532 | 118.6° | 120.0° |
| C50 | C53 | C56 | H562 | 91.3° | 60.1° |
| C50 | C53 | C56 | H561 | 30.5° | 60.0° |
| C53 | C56 | C58 | H562 | 119.2° | 120.0° |
| C53 | C56 | C58 | H561 | 119.2° | 120.0° |
| C56 | C53 | C50 | H502 | 14.6° | 60.0° |
| C56 | C53 | C50 | H501 | 132.3° | 59.9° |
| C56 | C53 | H531 | H532 | 118.6° | 120.0° |
| C53 | C56 | H562 | H561 | 122.5° | 120.0° |
| C53 | C56 | C58 | H582 | 180.0° | 180.0° |
| C53 | C56 | C58 | H583 | 60.0° | 60.0° |
| C53 | C56 | C58 | H581 | 60.0° | 60.0° |
| C58 | C56 | C53 | H531 | 29.2° | 60.0° |
| C58 | C56 | C53 | H532 | 89.9° | 60.0° |
| C58 | C56 | H562 | H561 | 122.5° | 120.0° |
| C56 | C58 | H582 | H583 | 120.0° | 120.0° |
| C56 | C58 | H582 | H581 | 120.0° | 120.0° |
| C56 | C58 | H583 | H581 | 120.0° | 120.0° |
| H201 | C20 | C24 | H241 | 57.1° | 60.0° |
| H201 | C20 | C23 | H231 | 57.2° | 60.1° |
| H211 | C21 | O05 | H051 | 59.0° | 60.1° |
| H211 | C21 | C19 | H191 | 66.7° | 60.0° |
| H211 | C21 | C23 | H231 | 55.0° | 59.9° |
| H221 | C22 | C24 | H241 | 58.2° | 59.9° |
| H221 | C22 | O06 | H061 | 58.4° | 60.0° |
| H221 | C22 | C19 | H191 | 179.5° | 179.9° |
| H241 | C24 | O08 | H081 | 60.3° | 60.1° |
| H261 | C26 | C25 | H251 | 86.8° | 54.9° |
| H261 | C26 | C25 | H252 | 154.9° | 65.1° |
| H261 | C26 | C27 | H272 | 141.1° | 65.0° |
| H261 | C26 | C27 | H271 | 99.7° | 54.9° |
| H282 | C28 | C29 | H292 | 133.5° | 60.0° |
| H282 | C28 | C29 | H291 | 104.8° | 180.0° |
| H282 | C28 | C30 | H301 | 177.2° | NaN° |
| H282 | C28 | C30 | H302 | 62.4° | 59.9° |
| H281 | C28 | C29 | H292 | 15.3° | 180.0° |
| H281 | C28 | C29 | H291 | 136.9° | 60.0° |
| H281 | C28 | C30 | H301 | 58.9° | 59.9° |
| H281 | C28 | C30 | H302 | 179.4° | 180.0° |
| H071 | O07 | C23 | H231 | 59.7° | 60.0° |
| H292 | C29 | C31 | H311 | 175.8° | 180.0° |
| H292 | C29 | C31 | H312 | 65.1° | 60.0° |
| H291 | C29 | C31 | H311 | 54.1° | 60.0° |
| H291 | C29 | C31 | H312 | 173.2° | 179.9° |
| H301 | C30 | C35 | H352 | 36.4° | 180.0° |
| H301 | C30 | C35 | H351 | 82.7° | 60.0° |
| H302 | C30 | C35 | H352 | 84.1° | 60.0° |
| H302 | C30 | C35 | H351 | 156.8° | 180.0° |
| H311 | C31 | C36 | H362 | 173.7° | 180.0° |
| H311 | C31 | C36 | H361 | 54.3° | 60.0° |
| H312 | C31 | C36 | H362 | 67.1° | 60.0° |
| H312 | C31 | C36 | H361 | 173.5° | NaN° |
| H322 | C32 | C33 | H332 | 171.3° | 60.0° |
| H322 | C32 | C33 | H331 | 69.3° | 180.0° |
| H322 | C32 | C34 | H341 | 163.4° | 180.0° |
| H322 | C32 | C34 | H342 | 45.2° | 60.0° |
| H321 | C32 | C33 | H332 | 52.5° | 180.0° |
| H321 | C32 | C33 | H331 | 171.8° | 60.0° |
| H321 | C32 | C34 | H341 | 77.8° | 60.1° |
| H321 | C32 | C34 | H342 | 164.0° | 180.0° |
| H332 | C33 | C37 | H371 | 142.4° | 180.0° |
| H332 | C33 | C37 | H372 | 25.4° | 60.0° |
| H331 | C33 | C37 | H371 | 98.2° | 60.0° |
| H331 | C33 | C37 | H372 | 144.7° | 179.9° |
| H341 | C34 | C38 | H381 | 54.2° | 180.0° |
| H341 | C34 | C38 | H382 | 175.1° | 60.0° |
| H342 | C34 | C38 | H381 | 172.5° | 60.0° |
| H342 | C34 | C38 | H382 | 66.7° | 180.0° |
| H352 | C35 | C39 | H392 | 102.6° | 179.9° |
| H352 | C35 | C39 | H391 | 140.0° | 60.0° |
| H351 | C35 | C39 | H392 | 138.3° | 60.0° |
| H351 | C35 | C39 | H391 | 20.9° | 180.0° |
| H362 | C36 | C40 | H401 | 111.4° | 180.0° |
| H362 | C36 | C40 | H402 | 127.1° | 60.0° |
| H361 | C36 | C40 | H401 | 8.0° | 60.0° |
| H361 | C36 | C40 | H402 | 113.5° | 179.9° |
| H371 | C37 | C41 | H412 | 148.0° | 180.0° |
| H371 | C37 | C41 | H411 | 93.7° | 60.0° |
| H372 | C37 | C41 | H412 | 30.9° | 60.0° |
| H372 | C37 | C41 | H411 | 149.2° | 180.0° |
| H381 | C38 | C42 | H422 | 155.6° | 180.0° |
| H381 | C38 | C42 | H421 | 86.9° | 60.0° |
| H382 | C38 | C42 | H422 | 34.7° | 59.9° |
| H382 | C38 | C42 | H421 | 152.2° | 180.0° |
| H392 | C39 | C44 | H441 | 127.3° | 180.0° |
| H392 | C39 | C44 | H442 | 111.8° | 60.0° |
| H391 | C39 | C44 | H441 | 9.9° | 60.0° |
| H391 | C39 | C44 | H442 | 130.8° | 180.0° |
| H401 | C40 | C43 | H432 | 158.3° | NaN° |
| H401 | C40 | C43 | H431 | 82.6° | 60.0° |
| H402 | C40 | C43 | H432 | 36.8° | 60.0° |
| H402 | C40 | C43 | H431 | 155.9° | 180.0° |
| H412 | C41 | C46 | H462 | 167.0° | 180.0° |
| H412 | C41 | C46 | H461 | 47.4° | 60.0° |
| H411 | C41 | C46 | H462 | 74.6° | 60.0° |
| H411 | C41 | C46 | H461 | 165.7° | 180.0° |
| H422 | C42 | C45 | H452 | 153.5° | 180.0° |
| H422 | C42 | C45 | H451 | 88.7° | 60.0° |
| H421 | C42 | C45 | H452 | 35.9° | 60.0° |
| H421 | C42 | C45 | H451 | 153.8° | 180.0° |
| H432 | C43 | C47 | H471 | 165.7° | 180.0° |
| H432 | C43 | C47 | H472 | 74.6° | 60.0° |
| H431 | C43 | C47 | H471 | 46.6° | 60.0° |
| H431 | C43 | C47 | H472 | 166.3° | 180.0° |
| H441 | C44 | C50 | H502 | 156.8° | 179.9° |
| H441 | C44 | C50 | H501 | 85.5° | 60.0° |
| H442 | C44 | C50 | H502 | 35.8° | 60.0° |
| H442 | C44 | C50 | H501 | 153.6° | 179.9° |
| H452 | C45 | C49 | H492 | 61.3° | 180.0° |
| H452 | C45 | C49 | H491 | 178.2° | 60.0° |
| H451 | C45 | C49 | H492 | 56.6° | 60.0° |
| H451 | C45 | C49 | H491 | 60.4° | 180.0° |
| H462 | C46 | C51 | H512 | 57.0° | 180.0° |
| H462 | C46 | C51 | H511 | 175.0° | 60.0° |
| H461 | C46 | C51 | H512 | 62.6° | 60.0° |
| H461 | C46 | C51 | H511 | 55.4° | 180.0° |
| H492 | C49 | C52 | H522 | 147.1° | 180.0° |
| H492 | C49 | C52 | H521 | 94.2° | 59.9° |
| H491 | C49 | C52 | H522 | 30.2° | 60.0° |
| H491 | C49 | C52 | H521 | 148.8° | 180.0° |
| H502 | C50 | C53 | H531 | 105.9° | 180.0° |
| H502 | C50 | C53 | H532 | 135.1° | 60.0° |
| H501 | C50 | C53 | H531 | 11.9° | 60.0° |
| H501 | C50 | C53 | H532 | 107.2° | 180.0° |
| H512 | C51 | C54 | H542 | 123.8° | 180.0° |
| H512 | C51 | C54 | H541 | 6.7° | 60.0° |
| H511 | C51 | C54 | H542 | 118.2° | 60.0° |
| H511 | C51 | C54 | H541 | 124.7° | 180.0° |
| H531 | C53 | C56 | H562 | 148.3° | 179.9° |
| H531 | C53 | C56 | H561 | 90.0° | 60.0° |
| H532 | C53 | C56 | H562 | 29.2° | 60.0° |
| H532 | C53 | C56 | H561 | 150.9° | 180.0° |
| H542 | C54 | C57 | H572 | 138.8° | 180.0° |
| H542 | C54 | C57 | H571 | 102.9° | 60.0° |
| H541 | C54 | C57 | H572 | 21.7° | 60.0° |
| H541 | C54 | C57 | H571 | 140.0° | 180.0° |
| H562 | C56 | C58 | H582 | 60.9° | 60.0° |
| H562 | C56 | C58 | H583 | 179.1° | 180.0° |
| H562 | C56 | C58 | H581 | 59.2° | 60.0° |
| H561 | C56 | C58 | H582 | 60.8° | 60.0° |
| H561 | C56 | C58 | H583 | 59.2° | 60.0° |
| H561 | C56 | C58 | H581 | 179.1° | 180.0° |
| H572 | C57 | C59 | H591 | 59.2° | 60.0° |
| H572 | C57 | C59 | H592 | 60.9° | 60.1° |
| H572 | C57 | C59 | H593 | 179.1° | 179.9° |
| H571 | C57 | C59 | H591 | 59.1° | 179.9° |
| H571 | C57 | C59 | H592 | 179.2° | 60.0° |
| H571 | C57 | C59 | H593 | 60.9° | 60.0° |
| H582 | C58 | H583 | H581 | 120.0° | 120.0° |
| H591 | C59 | H592 | H593 | 120.0° | 120.0° |
