A1BBG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C66 | C67 | sing | 1.53Å | 0.00Å | |
| C66 | C65 | sing | 1.53Å | 0.00Å | |
| C65 | C64 | sing | 1.53Å | 0.00Å | |
| C47 | C46 | sing | 1.53Å | 0.00Å | |
| C64 | C63 | sing | 1.53Å | 0.00Å | |
| C46 | C45 | sing | 1.53Å | 0.00Å | |
| C63 | C62 | sing | 1.53Å | 0.00Å | |
| C45 | C44 | sing | 1.53Å | 0.00Å | |
| C62 | C61 | sing | 1.53Å | 0.00Å | |
| C44 | C43 | sing | 1.53Å | 0.00Å | |
| C61 | C60 | sing | 1.53Å | 0.00Å | |
| C43 | C42 | sing | 1.53Å | 0.00Å | |
| C60 | C59 | sing | 1.51Å | 0.00Å | |
| C41 | C42 | sing | 1.53Å | 0.00Å | |
| C41 | C40 | sing | 1.53Å | 0.00Å | |
| C40 | C39 | sing | 1.51Å | 0.00Å | |
| C59 | C58 | doub | 1.31Å | 0.00Å | |
| C39 | C38 | doub | 1.31Å | 0.00Å | |
| C38 | C37 | sing | 1.51Å | 0.00Å | |
| C58 | C57 | sing | 1.51Å | 0.00Å | |
| C57 | C56 | sing | 1.53Å | 0.00Å | |
| C37 | C36 | sing | 1.53Å | 0.00Å | |
| C36 | C35 | sing | 1.53Å | 0.00Å | |
| C56 | C55 | sing | 1.53Å | 0.00Å | |
| C35 | C34 | sing | 1.53Å | 0.00Å | |
| C55 | C54 | sing | 1.53Å | 0.00Å | |
| C34 | C33 | sing | 1.53Å | 0.00Å | |
| C54 | C53 | sing | 1.53Å | 0.00Å | |
| C33 | C32 | sing | 1.53Å | 0.00Å | |
| C53 | C52 | sing | 1.53Å | 0.00Å | |
| C52 | C51 | sing | 1.53Å | 0.00Å | |
| C32 | C31 | sing | 1.53Å | 0.00Å | |
| C31 | C29 | sing | 1.51Å | 0.00Å | |
| C51 | C49 | sing | 1.51Å | 0.00Å | |
| C29 | O30 | doub | 1.21Å | 0.00Å | |
| C29 | O28 | sing | 1.34Å | 0.00Å | |
| C49 | O50 | doub | 1.21Å | 0.00Å | |
| C49 | O48 | sing | 1.34Å | 0.00Å | |
| O28 | C02 | sing | 1.45Å | 0.00Å | |
| O48 | C01 | sing | 1.45Å | 0.00Å | |
| C01 | C02 | sing | 1.53Å | 0.00Å | |
| C02 | C03 | sing | 1.53Å | 0.00Å | |
| C03 | O04 | sing | 1.43Å | 0.00Å | |
| O04 | P05 | sing | 1.61Å | 0.00Å | |
| O26 | P23 | doub | 1.48Å | 0.00Å | |
| O24 | P23 | sing | 1.61Å | 0.00Å | |
| O27 | C10 | sing | 1.43Å | 0.00Å | |
| P23 | O25 | sing | 1.61Å | 0.00Å | |
| P23 | O22 | sing | 1.61Å | 0.00Å | |
| P05 | O08 | sing | 1.61Å | 0.00Å | |
| P05 | O07 | doub | 1.48Å | 0.00Å | |
| P05 | O06 | sing | 1.61Å | 0.00Å | |
| C10 | C09 | sing | 1.53Å | 0.00Å | |
| C10 | C11 | sing | 1.53Å | 0.00Å | |
| O08 | C09 | sing | 1.43Å | 0.00Å | |
| O22 | C11 | sing | 1.43Å | 0.00Å | |
| C09 | C14 | sing | 1.53Å | 0.00Å | |
| C11 | C12 | sing | 1.53Å | 0.00Å | |
| O21 | P18 | doub | 1.48Å | 0.00Å | |
| C14 | C13 | sing | 1.53Å | 0.00Å | |
| C14 | O15 | sing | 1.43Å | 0.00Å | |
| C12 | C13 | sing | 1.53Å | 0.00Å | |
| C12 | O17 | sing | 1.43Å | 0.00Å | |
| C13 | O16 | sing | 1.43Å | 0.00Å | |
| P18 | O17 | sing | 1.61Å | 0.00Å | |
| P18 | O19 | sing | 1.61Å | 0.00Å | |
| P18 | O20 | sing | 1.61Å | 0.00Å | |
| C02 | H021 | sing | 1.09Å | 0.00Å | |
| C03 | H032 | sing | 1.09Å | 0.00Å | |
| C03 | H031 | sing | 1.09Å | 0.00Å | |
| C09 | H091 | sing | 1.09Å | 0.00Å | |
| C11 | H111 | sing | 1.09Å | 0.00Å | |
| C12 | H121 | sing | 1.09Å | 0.00Å | |
| C13 | H131 | sing | 1.09Å | 0.00Å | |
| C14 | H141 | sing | 1.09Å | 0.00Å | |
| C01 | H012 | sing | 1.09Å | 0.00Å | |
| C01 | H011 | sing | 1.09Å | 0.00Å | |
| C10 | H101 | sing | 1.09Å | 0.00Å | |
| C31 | H311 | sing | 1.09Å | 0.00Å | |
| C31 | H312 | sing | 1.09Å | 0.00Å | |
| C32 | H322 | sing | 1.09Å | 0.00Å | |
| C32 | H321 | sing | 1.09Å | 0.00Å | |
| C33 | H332 | sing | 1.09Å | 0.00Å | |
| C33 | H331 | sing | 1.09Å | 0.00Å | |
| C34 | H341 | sing | 1.09Å | 0.00Å | |
| C34 | H342 | sing | 1.09Å | 0.00Å | |
| C35 | H352 | sing | 1.09Å | 0.00Å | |
| C35 | H351 | sing | 1.09Å | 0.00Å | |
| C36 | H361 | sing | 1.09Å | 0.00Å | |
| C36 | H362 | sing | 1.09Å | 0.00Å | |
| C37 | H371 | sing | 1.09Å | 0.00Å | |
| C37 | H372 | sing | 1.09Å | 0.00Å | |
| C38 | H381 | sing | 1.08Å | 0.00Å | |
| C39 | H391 | sing | 1.08Å | 0.00Å | |
| C40 | H402 | sing | 1.09Å | 0.00Å | |
| C40 | H401 | sing | 1.09Å | 0.00Å | |
| C41 | H411 | sing | 1.09Å | 0.00Å | |
| C41 | H412 | sing | 1.09Å | 0.00Å | |
| C42 | H422 | sing | 1.09Å | 0.00Å | |
| C42 | H421 | sing | 1.09Å | 0.00Å | |
| C43 | H432 | sing | 1.09Å | 0.00Å | |
| C43 | H431 | sing | 1.09Å | 0.00Å | |
| C44 | H442 | sing | 1.09Å | 0.00Å | |
| C44 | H441 | sing | 1.09Å | 0.00Å | |
| C45 | H452 | sing | 1.09Å | 0.00Å | |
| C45 | H451 | sing | 1.09Å | 0.00Å | |
| C46 | H462 | sing | 1.09Å | 0.00Å | |
| C46 | H461 | sing | 1.09Å | 0.00Å | |
| C47 | H473 | sing | 1.09Å | 0.00Å | |
| C47 | H472 | sing | 1.09Å | 0.00Å | |
| C47 | H471 | sing | 1.09Å | 0.00Å | |
| C51 | H511 | sing | 1.09Å | 0.00Å | |
| C51 | H512 | sing | 1.09Å | 0.00Å | |
| C52 | H521 | sing | 1.09Å | 0.00Å | |
| C52 | H522 | sing | 1.09Å | 0.00Å | |
| C53 | H531 | sing | 1.09Å | 0.00Å | |
| C53 | H532 | sing | 1.09Å | 0.00Å | |
| C54 | H541 | sing | 1.09Å | 0.00Å | |
| C54 | H542 | sing | 1.09Å | 0.00Å | |
| C55 | H552 | sing | 1.09Å | 0.00Å | |
| C55 | H551 | sing | 1.09Å | 0.00Å | |
| C56 | H562 | sing | 1.09Å | 0.00Å | |
| C56 | H561 | sing | 1.09Å | 0.00Å | |
| C57 | H572 | sing | 1.09Å | 0.00Å | |
| C57 | H571 | sing | 1.09Å | 0.00Å | |
| C58 | H581 | sing | 1.08Å | 0.00Å | |
| C59 | H591 | sing | 1.08Å | 0.00Å | |
| C60 | H602 | sing | 1.09Å | 0.00Å | |
| C60 | H601 | sing | 1.09Å | 0.00Å | |
| C61 | H612 | sing | 1.09Å | 0.00Å | |
| C61 | H611 | sing | 1.09Å | 0.00Å | |
| C62 | H621 | sing | 1.09Å | 0.00Å | |
| C62 | H622 | sing | 1.09Å | 0.00Å | |
| C63 | H632 | sing | 1.09Å | 0.00Å | |
| C63 | H631 | sing | 1.09Å | 0.00Å | |
| C64 | H641 | sing | 1.09Å | 0.00Å | |
| C64 | H642 | sing | 1.09Å | 0.00Å | |
| C65 | H651 | sing | 1.09Å | 0.00Å | |
| C65 | H652 | sing | 1.09Å | 0.00Å | |
| C66 | H662 | sing | 1.09Å | 0.00Å | |
| C66 | H661 | sing | 1.09Å | 0.00Å | |
| C67 | H671 | sing | 1.09Å | 0.00Å | |
| C67 | H673 | sing | 1.09Å | 0.00Å | |
| C67 | H672 | sing | 1.09Å | 0.00Å | |
| O06 | H3 | sing | 0.97Å | 0.00Å | |
| O15 | H151 | sing | 0.97Å | 0.00Å | |
| O16 | H161 | sing | 0.97Å | 0.00Å | |
| O19 | H4 | sing | 0.97Å | 0.00Å | |
| O20 | H5 | sing | 0.97Å | 0.00Å | |
| O24 | H6 | sing | 0.97Å | 0.00Å | |
| O25 | H7 | sing | 0.97Å | 0.00Å | |
| O27 | H271 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C67 | C66 | C65 | 90.0° | 109.5° |
| C67 | C66 | H662 | 90.0° | 109.4° |
| C67 | C66 | H661 | 90.0° | 109.5° |
| C66 | C67 | H671 | 90.0° | 109.5° |
| C66 | C67 | H673 | 90.0° | 109.5° |
| C66 | C67 | H672 | 90.0° | 109.5° |
| C66 | C65 | C64 | 90.0° | 109.5° |
| C66 | C65 | H651 | 90.0° | 109.5° |
| C66 | C65 | H652 | 90.0° | 109.5° |
| C65 | C66 | H662 | 90.0° | 109.5° |
| C65 | C66 | H661 | 90.0° | 109.5° |
| C65 | C64 | C63 | 90.0° | 109.5° |
| C65 | C64 | H641 | 90.0° | 109.5° |
| C65 | C64 | H642 | 90.0° | 109.5° |
| C64 | C65 | H651 | 90.0° | 109.5° |
| C64 | C65 | H652 | 90.0° | 109.5° |
| C47 | C46 | C45 | 90.0° | 109.4° |
| C47 | C46 | H462 | 90.0° | 109.5° |
| C47 | C46 | H461 | 90.0° | 109.5° |
| C46 | C47 | H473 | 90.0° | 109.5° |
| C46 | C47 | H472 | 90.0° | 109.5° |
| C46 | C47 | H471 | 90.0° | 109.4° |
| C64 | C63 | C62 | 90.0° | 109.5° |
| C64 | C63 | H632 | 90.0° | 109.5° |
| C64 | C63 | H631 | 90.0° | 109.5° |
| C63 | C64 | H641 | 90.0° | 109.5° |
| C63 | C64 | H642 | 90.0° | 109.5° |
| C46 | C45 | C44 | 90.0° | 109.5° |
| C46 | C45 | H452 | 90.0° | 109.4° |
| C46 | C45 | H451 | 90.0° | 109.5° |
| C45 | C46 | H462 | 90.0° | 109.4° |
| C45 | C46 | H461 | 90.0° | 109.5° |
| C63 | C62 | C61 | 90.0° | 109.5° |
| C63 | C62 | H621 | 90.0° | 109.5° |
| C63 | C62 | H622 | 90.0° | 109.5° |
| C62 | C63 | H632 | 90.0° | 109.5° |
| C62 | C63 | H631 | 90.0° | 109.5° |
| C45 | C44 | C43 | 90.0° | 109.5° |
| C45 | C44 | H442 | 90.0° | 109.4° |
| C45 | C44 | H441 | 90.0° | 109.5° |
| C44 | C45 | H452 | 90.0° | 109.4° |
| C44 | C45 | H451 | 90.0° | 109.5° |
| C62 | C61 | C60 | 90.0° | 109.4° |
| C62 | C61 | H612 | 90.0° | 109.4° |
| C62 | C61 | H611 | 90.0° | 109.5° |
| C61 | C62 | H621 | 90.0° | 109.5° |
| C61 | C62 | H622 | 90.0° | 109.5° |
| C44 | C43 | C42 | 90.0° | 109.4° |
| C44 | C43 | H432 | 90.0° | 109.5° |
| C44 | C43 | H431 | 90.0° | 109.5° |
| C43 | C44 | H442 | 90.0° | 109.5° |
| C43 | C44 | H441 | 90.0° | 109.5° |
| C61 | C60 | C59 | 90.0° | 109.4° |
| C61 | C60 | H602 | 90.0° | 109.5° |
| C61 | C60 | H601 | 90.0° | 109.5° |
| C60 | C61 | H612 | 90.0° | 109.5° |
| C60 | C61 | H611 | 90.0° | 109.5° |
| C43 | C42 | C41 | 90.0° | 109.4° |
| C43 | C42 | H422 | 90.0° | 109.5° |
| C43 | C42 | H421 | 90.0° | 109.5° |
| C42 | C43 | H432 | 90.0° | 109.5° |
| C42 | C43 | H431 | 90.0° | 109.5° |
| C60 | C59 | C58 | 90.0° | 120.0° |
| C60 | C59 | H591 | 90.0° | 120.0° |
| C59 | C60 | H602 | 90.0° | 109.5° |
| C59 | C60 | H601 | 90.0° | 109.5° |
| C42 | C41 | C40 | 90.0° | 109.5° |
| C42 | C41 | H411 | 90.0° | 109.4° |
| C42 | C41 | H412 | 90.0° | 109.5° |
| C41 | C42 | H422 | 90.0° | 109.4° |
| C41 | C42 | H421 | 90.0° | 109.5° |
| C41 | C40 | C39 | 90.0° | 109.5° |
| C41 | C40 | H402 | 90.0° | 109.4° |
| C41 | C40 | H401 | 90.0° | 109.5° |
| C40 | C41 | H411 | 90.0° | 109.4° |
| C40 | C41 | H412 | 90.0° | 109.5° |
| C40 | C39 | C38 | 90.0° | 120.0° |
| C40 | C39 | H391 | 90.0° | 120.0° |
| C39 | C40 | H402 | 90.0° | 109.5° |
| C39 | C40 | H401 | 90.0° | 109.5° |
| C59 | C58 | C57 | 90.0° | 120.0° |
| C59 | C58 | H581 | 90.0° | 120.0° |
| C58 | C59 | H591 | 90.0° | 120.0° |
| C39 | C38 | C37 | 90.0° | 120.0° |
| C39 | C38 | H381 | 90.0° | 120.0° |
| C38 | C39 | H391 | 90.0° | 120.0° |
| C38 | C37 | C36 | 90.0° | 109.5° |
| C38 | C37 | H371 | 90.0° | 109.5° |
| C38 | C37 | H372 | 90.0° | 109.4° |
| C37 | C38 | H381 | 90.0° | 120.0° |
| C58 | C57 | C56 | 90.0° | 109.4° |
| C58 | C57 | H572 | 90.0° | 109.4° |
| C58 | C57 | H571 | 90.0° | 109.4° |
| C57 | C58 | H581 | 90.0° | 120.0° |
| C57 | C56 | C55 | 90.0° | 109.4° |
| C57 | C56 | H562 | 90.0° | 109.5° |
| C57 | C56 | H561 | 90.0° | 109.5° |
| C56 | C57 | H572 | 90.0° | 109.5° |
| C56 | C57 | H571 | 90.0° | 109.5° |
| C37 | C36 | C35 | 90.0° | 109.5° |
| C37 | C36 | H361 | 90.0° | 109.5° |
| C37 | C36 | H362 | 90.0° | 109.5° |
| C36 | C37 | H371 | 90.0° | 109.5° |
| C36 | C37 | H372 | 90.0° | 109.5° |
| C36 | C35 | C34 | 90.0° | 109.5° |
| C36 | C35 | H352 | 90.0° | 109.5° |
| C36 | C35 | H351 | 90.0° | 109.4° |
| C35 | C36 | H361 | 90.0° | 109.5° |
| C35 | C36 | H362 | 90.0° | 109.5° |
| C56 | C55 | C54 | 90.0° | 109.5° |
| C56 | C55 | H552 | 90.0° | 109.5° |
| C56 | C55 | H551 | 90.0° | 109.5° |
| C55 | C56 | H562 | 90.0° | 109.5° |
| C55 | C56 | H561 | 90.0° | 109.5° |
| C35 | C34 | C33 | 90.0° | 109.5° |
| C35 | C34 | H341 | 90.0° | 109.5° |
| C35 | C34 | H342 | 90.0° | 109.5° |
| C34 | C35 | H352 | 90.0° | 109.5° |
| C34 | C35 | H351 | 90.0° | 109.5° |
| C55 | C54 | C53 | 90.0° | 109.5° |
| C55 | C54 | H541 | 90.0° | 109.4° |
| C55 | C54 | H542 | 90.0° | 109.4° |
| C54 | C55 | H552 | 90.0° | 109.4° |
| C54 | C55 | H551 | 90.0° | 109.4° |
| C34 | C33 | C32 | 90.0° | 109.5° |
| C34 | C33 | H332 | 90.0° | 109.5° |
| C34 | C33 | H331 | 90.0° | 109.4° |
| C33 | C34 | H341 | 90.0° | 109.4° |
| C33 | C34 | H342 | 90.0° | 109.5° |
| C54 | C53 | C52 | 90.0° | 109.5° |
| C54 | C53 | H531 | 90.0° | 109.5° |
| C54 | C53 | H532 | 90.0° | 109.5° |
| C53 | C54 | H541 | 90.0° | 109.5° |
| C53 | C54 | H542 | 90.0° | 109.5° |
| C33 | C32 | C31 | 90.0° | 109.5° |
| C33 | C32 | H322 | 90.0° | 109.5° |
| C33 | C32 | H321 | 90.0° | 109.5° |
| C32 | C33 | H332 | 90.0° | 109.5° |
| C32 | C33 | H331 | 90.0° | 109.5° |
| C53 | C52 | C51 | 90.0° | 109.5° |
| C53 | C52 | H521 | 90.0° | 109.5° |
| C53 | C52 | H522 | 90.0° | 109.5° |
| C52 | C53 | H531 | 90.0° | 109.5° |
| C52 | C53 | H532 | 90.0° | 109.5° |
| C52 | C51 | C49 | 90.0° | 109.5° |
| C52 | C51 | H511 | 90.0° | 109.4° |
| C52 | C51 | H512 | 90.0° | 109.5° |
| C51 | C52 | H521 | 90.0° | 109.4° |
| C51 | C52 | H522 | 90.0° | 109.5° |
| C32 | C31 | C29 | 90.0° | 109.5° |
| C32 | C31 | H311 | 90.0° | 109.4° |
| C32 | C31 | H312 | 90.0° | 109.4° |
| C31 | C32 | H322 | 90.0° | 109.5° |
| C31 | C32 | H321 | 90.0° | 109.5° |
| C31 | C29 | O30 | 90.0° | 120.0° |
| C31 | C29 | O28 | 90.0° | 120.0° |
| C29 | C31 | H311 | 90.0° | 109.5° |
| C29 | C31 | H312 | 90.0° | 109.5° |
| C51 | C49 | O50 | 90.0° | 120.0° |
| C51 | C49 | O48 | 90.0° | 120.0° |
| C49 | C51 | H511 | 90.0° | 109.5° |
| C49 | C51 | H512 | 90.0° | 109.5° |
| O30 | C29 | O28 | 90.0° | 120.0° |
| C29 | O28 | C02 | 90.0° | 117.0° |
| O50 | C49 | O48 | 90.0° | 120.1° |
| C49 | O48 | C01 | 90.0° | 117.0° |
| O28 | C02 | C01 | 90.0° | 109.5° |
| O28 | C02 | C03 | 90.0° | 109.5° |
| O28 | C02 | H021 | 90.0° | 109.5° |
| O48 | C01 | C02 | 90.0° | 109.5° |
| O48 | C01 | H012 | 90.0° | 109.4° |
| O48 | C01 | H011 | 90.0° | 109.5° |
| C01 | C02 | C03 | 90.0° | 109.5° |
| C01 | C02 | H021 | 90.0° | 109.5° |
| C02 | C01 | H012 | 90.0° | 109.5° |
| C02 | C01 | H011 | 90.0° | 109.5° |
| C02 | C03 | O04 | 90.0° | 109.5° |
| C03 | C02 | H021 | 90.0° | 109.4° |
| C02 | C03 | H032 | 90.0° | 109.5° |
| C02 | C03 | H031 | 90.0° | 109.5° |
| C03 | O04 | P05 | 90.0° | 123.0° |
| O04 | C03 | H032 | 90.0° | 109.5° |
| O04 | C03 | H031 | 90.0° | 109.4° |
| O04 | P05 | O08 | 90.0° | 109.5° |
| O04 | P05 | O07 | 90.0° | 109.5° |
| O04 | P05 | O06 | 90.0° | 109.4° |
| O26 | P23 | O24 | 90.0° | 109.5° |
| O26 | P23 | O25 | 90.0° | 109.5° |
| O26 | P23 | O22 | 90.0° | 109.5° |
| O24 | P23 | O25 | 90.0° | 109.5° |
| O24 | P23 | O22 | 90.0° | 109.5° |
| P23 | O24 | H6 | 90.0° | 114.1° |
| O27 | C10 | C09 | 90.0° | 109.5° |
| O27 | C10 | C11 | 90.0° | 109.5° |
| O27 | C10 | H101 | 90.0° | 109.5° |
| C10 | O27 | H271 | 90.0° | 114.0° |
| O25 | P23 | O22 | 90.0° | 109.5° |
| P23 | O25 | H7 | 90.0° | 114.0° |
| P23 | O22 | C11 | 90.0° | 123.0° |
| O08 | P05 | O07 | 90.0° | 109.5° |
| O08 | P05 | O06 | 90.0° | 109.4° |
| P05 | O08 | C09 | 90.0° | 123.0° |
| O07 | P05 | O06 | 90.0° | 109.5° |
| P05 | O06 | H3 | 90.0° | 114.0° |
| C09 | C10 | C11 | 90.0° | 109.5° |
| C10 | C09 | O08 | 90.0° | 109.5° |
| C10 | C09 | C14 | 90.0° | 109.5° |
| C10 | C09 | H091 | 90.0° | 109.5° |
| C09 | C10 | H101 | 90.0° | 109.5° |
| C10 | C11 | O22 | 90.0° | 109.5° |
| C10 | C11 | C12 | 90.0° | 109.5° |
| C10 | C11 | H111 | 90.0° | 109.5° |
| C11 | C10 | H101 | 90.0° | 109.5° |
| O08 | C09 | C14 | 90.0° | 109.5° |
| O08 | C09 | H091 | 90.0° | 109.5° |
| O22 | C11 | C12 | 90.0° | 109.4° |
| O22 | C11 | H111 | 90.0° | 109.5° |
| C09 | C14 | C13 | 90.0° | 109.5° |
| C09 | C14 | O15 | 90.0° | 109.5° |
| C14 | C09 | H091 | 90.0° | 109.5° |
| C09 | C14 | H141 | 90.0° | 109.5° |
| C11 | C12 | C13 | 90.0° | 109.4° |
| C11 | C12 | O17 | 90.0° | 109.5° |
| C12 | C11 | H111 | 90.0° | 109.5° |
| C11 | C12 | H121 | 90.0° | 109.5° |
| O21 | P18 | O17 | 90.0° | 109.5° |
| O21 | P18 | O19 | 90.0° | 109.5° |
| O21 | P18 | O20 | 90.0° | 109.5° |
| C13 | C14 | O15 | 90.0° | 109.5° |
| C14 | C13 | C12 | 90.0° | 109.5° |
| C14 | C13 | O16 | 90.0° | 109.5° |
| C14 | C13 | H131 | 90.0° | 109.5° |
| C13 | C14 | H141 | 90.0° | 109.4° |
| O15 | C14 | H141 | 90.0° | 109.5° |
| C14 | O15 | H151 | 90.0° | 114.0° |
| C13 | C12 | O17 | 90.0° | 109.5° |
| C12 | C13 | O16 | 90.0° | 109.4° |
| C13 | C12 | H121 | 90.0° | 109.5° |
| C12 | C13 | H131 | 90.0° | 109.5° |
| C12 | O17 | P18 | 90.0° | 123.0° |
| O17 | C12 | H121 | 90.0° | 109.5° |
| O16 | C13 | H131 | 90.0° | 109.4° |
| C13 | O16 | H161 | 90.0° | 114.0° |
| O17 | P18 | O19 | 90.0° | 109.5° |
| O17 | P18 | O20 | 90.0° | 109.5° |
| O19 | P18 | O20 | 90.0° | 109.5° |
| P18 | O19 | H4 | 90.0° | 114.0° |
| P18 | O20 | H5 | 90.0° | 114.0° |
| H032 | C03 | H031 | 90.0° | 109.5° |
| H012 | C01 | H011 | 90.0° | 109.4° |
| H311 | C31 | H312 | 90.0° | 109.5° |
| H322 | C32 | H321 | 90.0° | 109.4° |
| H332 | C33 | H331 | 90.0° | 109.5° |
| H341 | C34 | H342 | 90.0° | 109.4° |
| H352 | C35 | H351 | 90.0° | 109.5° |
| H361 | C36 | H362 | 90.0° | 109.4° |
| H371 | C37 | H372 | 90.0° | 109.6° |
| H402 | C40 | H401 | 90.0° | 109.5° |
| H411 | C41 | H412 | 90.0° | 109.5° |
| H422 | C42 | H421 | 90.0° | 109.5° |
| H432 | C43 | H431 | 90.0° | 109.5° |
| H442 | C44 | H441 | 90.0° | 109.5° |
| H452 | C45 | H451 | 90.0° | 109.5° |
| H462 | C46 | H461 | 90.0° | 109.5° |
| H473 | C47 | H472 | 90.0° | 109.5° |
| H473 | C47 | H471 | 90.0° | 109.5° |
| H472 | C47 | H471 | 90.0° | 109.5° |
| H511 | C51 | H512 | 90.0° | 109.4° |
| H521 | C52 | H522 | 90.0° | 109.4° |
| H531 | C53 | H532 | 90.0° | 109.4° |
| H541 | C54 | H542 | 90.0° | 109.5° |
| H552 | C55 | H551 | 90.0° | 109.5° |
| H562 | C56 | H561 | 90.0° | 109.5° |
| H572 | C57 | H571 | 90.0° | 109.5° |
| H602 | C60 | H601 | 90.0° | 109.5° |
| H612 | C61 | H611 | 90.0° | 109.5° |
| H621 | C62 | H622 | 90.0° | 109.5° |
| H632 | C63 | H631 | 90.0° | 109.5° |
| H641 | C64 | H642 | 90.0° | 109.4° |
| H651 | C65 | H652 | 90.0° | 109.5° |
| H662 | C66 | H661 | 90.0° | 109.5° |
| H671 | C67 | H673 | 90.0° | 109.5° |
| H671 | C67 | H672 | 90.0° | 109.5° |
| H673 | C67 | H672 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C67 | C66 | C65 | H662 | 90.0° | 120.0° |
| C67 | C66 | C65 | H661 | 90.0° | 120.0° |
| C67 | C66 | C65 | C64 | 90.0° | 180.0° |
| C67 | C66 | C65 | H651 | 90.0° | 60.0° |
| C67 | C66 | C65 | H652 | 90.0° | 60.0° |
| C67 | C66 | H662 | H661 | 90.0° | 120.0° |
| C66 | C67 | H671 | H673 | 90.0° | 120.0° |
| C66 | C67 | H671 | H672 | 90.0° | 120.0° |
| C66 | C67 | H673 | H672 | 90.0° | 119.9° |
| C66 | C65 | C64 | H651 | 90.0° | 120.0° |
| C66 | C65 | C64 | H652 | 90.0° | 120.0° |
| C66 | C65 | C64 | C63 | 90.0° | 180.0° |
| C66 | C65 | C64 | H641 | 90.0° | 60.0° |
| C66 | C65 | C64 | H642 | 90.0° | 60.0° |
| C66 | C65 | H651 | H652 | 90.0° | 120.0° |
| C65 | C66 | H662 | H661 | 90.0° | 120.0° |
| C65 | C66 | C67 | H671 | 90.0° | 180.0° |
| C65 | C66 | C67 | H673 | 90.0° | 59.9° |
| C65 | C66 | C67 | H672 | 90.0° | 60.0° |
| C65 | C64 | C63 | H641 | 90.0° | 120.0° |
| C65 | C64 | C63 | H642 | 90.0° | 120.0° |
| C65 | C64 | C63 | C62 | 90.0° | 180.0° |
| C65 | C64 | C63 | H632 | 90.0° | 60.0° |
| C65 | C64 | C63 | H631 | 90.0° | 60.0° |
| C65 | C64 | H641 | H642 | 90.0° | 120.0° |
| C64 | C65 | H651 | H652 | 90.0° | 120.0° |
| C64 | C65 | C66 | H662 | 90.0° | 60.0° |
| C64 | C65 | C66 | H661 | 90.0° | 60.0° |
| C47 | C46 | C45 | H462 | 90.0° | 119.9° |
| C47 | C46 | C45 | H461 | 90.0° | 120.0° |
| C47 | C46 | C45 | C44 | 90.0° | 180.0° |
| C47 | C46 | C45 | H452 | 90.0° | 60.1° |
| C47 | C46 | C45 | H451 | 90.0° | 60.0° |
| C47 | C46 | H462 | H461 | 90.0° | 120.0° |
| C46 | C47 | H473 | H472 | 90.0° | 120.0° |
| C46 | C47 | H473 | H471 | 90.0° | 119.9° |
| C46 | C47 | H472 | H471 | 90.0° | 120.0° |
| C64 | C63 | C62 | H632 | 90.0° | 120.0° |
| C64 | C63 | C62 | H631 | 90.0° | 120.0° |
| C64 | C63 | C62 | C61 | 90.0° | 180.0° |
| C64 | C63 | C62 | H621 | 90.0° | 60.0° |
| C64 | C63 | C62 | H622 | 90.0° | 60.0° |
| C64 | C63 | H632 | H631 | 90.0° | 120.0° |
| C63 | C64 | H641 | H642 | 90.0° | 120.0° |
| C63 | C64 | C65 | H651 | 90.0° | 60.0° |
| C63 | C64 | C65 | H652 | 90.0° | 60.0° |
| C46 | C45 | C44 | H452 | 90.0° | 119.9° |
| C46 | C45 | C44 | H451 | 90.0° | 120.1° |
| C46 | C45 | C44 | C43 | 90.0° | 180.0° |
| C46 | C45 | C44 | H442 | 90.0° | 60.1° |
| C46 | C45 | C44 | H441 | 90.0° | 59.9° |
| C46 | C45 | H452 | H451 | 90.0° | 120.0° |
| C45 | C46 | H462 | H461 | 90.0° | 120.0° |
| C45 | C46 | C47 | H473 | 90.0° | 60.1° |
| C45 | C46 | C47 | H472 | 90.0° | 60.0° |
| C45 | C46 | C47 | H471 | 90.0° | 180.0° |
| C63 | C62 | C61 | H621 | 90.0° | 120.0° |
| C63 | C62 | C61 | H622 | 90.0° | 120.0° |
| C63 | C62 | C61 | C60 | 90.0° | 180.0° |
| C63 | C62 | C61 | H612 | 90.0° | 60.0° |
| C63 | C62 | C61 | H611 | 90.0° | 60.0° |
| C63 | C62 | H621 | H622 | 90.0° | 120.0° |
| C62 | C63 | H632 | H631 | 90.0° | 120.0° |
| C62 | C63 | C64 | H641 | 90.0° | 60.0° |
| C62 | C63 | C64 | H642 | 90.0° | 60.0° |
| C45 | C44 | C43 | H442 | 90.0° | 119.9° |
| C45 | C44 | C43 | H441 | 90.0° | 120.0° |
| C45 | C44 | C43 | C42 | 90.0° | 180.0° |
| C45 | C44 | C43 | H432 | 90.0° | 60.1° |
| C45 | C44 | C43 | H431 | 90.0° | 60.0° |
| C45 | C44 | H442 | H441 | 90.0° | 120.0° |
| C44 | C45 | H452 | H451 | 90.0° | 120.0° |
| C44 | C45 | C46 | H462 | 90.0° | 60.1° |
| C44 | C45 | C46 | H461 | 90.0° | 60.0° |
| C62 | C61 | C60 | H612 | 90.0° | 120.0° |
| C62 | C61 | C60 | H611 | 90.0° | 120.0° |
| C62 | C61 | C60 | C59 | 90.0° | 180.0° |
| C62 | C61 | C60 | H602 | 90.0° | 60.0° |
| C62 | C61 | C60 | H601 | 90.0° | 60.0° |
| C62 | C61 | H612 | H611 | 90.0° | 120.0° |
| C61 | C62 | H621 | H622 | 90.0° | 120.0° |
| C61 | C62 | C63 | H632 | 90.0° | 60.0° |
| C61 | C62 | C63 | H631 | 90.0° | 60.0° |
| C44 | C43 | C42 | H432 | 90.0° | 120.0° |
| C44 | C43 | C42 | H431 | 90.0° | 120.0° |
| C44 | C43 | C42 | C41 | 90.0° | 180.0° |
| C44 | C43 | C42 | H422 | 90.0° | 60.0° |
| C44 | C43 | C42 | H421 | 90.0° | 60.0° |
| C44 | C43 | H432 | H431 | 90.0° | 120.1° |
| C43 | C44 | H442 | H441 | 90.0° | 120.1° |
| C43 | C44 | C45 | H452 | 90.0° | 60.0° |
| C43 | C44 | C45 | H451 | 90.0° | 60.0° |
| C61 | C60 | C59 | H602 | 90.0° | 120.0° |
| C61 | C60 | C59 | H601 | 90.0° | 120.0° |
| C61 | C60 | C59 | C58 | 90.0° | 126.3° |
| C61 | C60 | C59 | H591 | 90.0° | 53.7° |
| C61 | C60 | H602 | H601 | 90.0° | 120.0° |
| C60 | C61 | H612 | H611 | 90.0° | 120.0° |
| C60 | C61 | C62 | H621 | 90.0° | 60.0° |
| C60 | C61 | C62 | H622 | 90.0° | 60.0° |
| C43 | C42 | C41 | H422 | 90.0° | 120.0° |
| C43 | C42 | C41 | H421 | 90.0° | 120.0° |
| C43 | C42 | C41 | C40 | 90.0° | 180.0° |
| C43 | C42 | C41 | H411 | 90.0° | 60.1° |
| C43 | C42 | C41 | H412 | 90.0° | 60.0° |
| C43 | C42 | H422 | H421 | 90.0° | 120.0° |
| C42 | C43 | H432 | H431 | 90.0° | 120.0° |
| C42 | C43 | C44 | H442 | 90.0° | 60.0° |
| C42 | C43 | C44 | H441 | 90.0° | 60.0° |
| C60 | C59 | C58 | H591 | 90.0° | 179.9° |
| C60 | C59 | C58 | C57 | 90.0° | 7.5° |
| C60 | C59 | C58 | H581 | 90.0° | 172.5° |
| C59 | C60 | H602 | H601 | 90.0° | 120.0° |
| C59 | C60 | C61 | H612 | 90.0° | 60.0° |
| C59 | C60 | C61 | H611 | 90.0° | 60.0° |
| C42 | C41 | C40 | H411 | 90.0° | 119.9° |
| C42 | C41 | C40 | H412 | 90.0° | 120.1° |
| C42 | C41 | C40 | C39 | 90.0° | 180.0° |
| C42 | C41 | C40 | H402 | 90.0° | 60.1° |
| C42 | C41 | C40 | H401 | 90.0° | 59.9° |
| C42 | C41 | H411 | H412 | 90.0° | 120.0° |
| C41 | C42 | H422 | H421 | 90.0° | 120.0° |
| C41 | C42 | C43 | H432 | 90.0° | 60.1° |
| C41 | C42 | C43 | H431 | 90.0° | 60.0° |
| C41 | C40 | C39 | H402 | 90.0° | 119.9° |
| C41 | C40 | C39 | H401 | 90.0° | 120.0° |
| C41 | C40 | C39 | C38 | 90.0° | 126.3° |
| C41 | C40 | C39 | H391 | 90.0° | 53.6° |
| C41 | C40 | H402 | H401 | 90.0° | 120.0° |
| C40 | C41 | H411 | H412 | 90.0° | 120.0° |
| C40 | C41 | C42 | H422 | 90.0° | 60.0° |
| C40 | C41 | C42 | H421 | 90.0° | 60.0° |
| C40 | C39 | C38 | H391 | 90.0° | 180.0° |
| C40 | C39 | C38 | C37 | 90.0° | 7.6° |
| C40 | C39 | C38 | H381 | 90.0° | 172.5° |
| C39 | C40 | H402 | H401 | 90.0° | 120.0° |
| C39 | C40 | C41 | H411 | 90.0° | 60.0° |
| C39 | C40 | C41 | H412 | 90.0° | 60.0° |
| C59 | C58 | C57 | H581 | 90.0° | 180.0° |
| C59 | C58 | C57 | C56 | 90.0° | 127.6° |
| C59 | C58 | C57 | H572 | 90.0° | 7.6° |
| C59 | C58 | C57 | H571 | 90.0° | 112.4° |
| C58 | C59 | C60 | H602 | 90.0° | 113.7° |
| C58 | C59 | C60 | H601 | 90.0° | 6.4° |
| C39 | C38 | C37 | H381 | 90.0° | 180.0° |
| C39 | C38 | C37 | C36 | 90.0° | 127.6° |
| C39 | C38 | C37 | H371 | 90.0° | 7.6° |
| C39 | C38 | C37 | H372 | 90.0° | 112.4° |
| C38 | C39 | C40 | H402 | 90.0° | 113.7° |
| C38 | C39 | C40 | H401 | 90.0° | 6.3° |
| C38 | C37 | C36 | H371 | 90.0° | 120.0° |
| C38 | C37 | C36 | H372 | 90.0° | 119.9° |
| C38 | C37 | C36 | C35 | 90.0° | 180.0° |
| C38 | C37 | C36 | H361 | 90.0° | 60.0° |
| C38 | C37 | C36 | H362 | 90.0° | 60.0° |
| C38 | C37 | H371 | H372 | 90.0° | 120.0° |
| C37 | C38 | C39 | H391 | 90.0° | 172.5° |
| C58 | C57 | C56 | H572 | 90.0° | 120.0° |
| C58 | C57 | C56 | H571 | 90.0° | 119.9° |
| C58 | C57 | C56 | C55 | 90.0° | 180.0° |
| C58 | C57 | C56 | H562 | 90.0° | 60.0° |
| C58 | C57 | C56 | H561 | 90.0° | 60.0° |
| C58 | C57 | H572 | H571 | 90.0° | 119.9° |
| C57 | C58 | C59 | H591 | 90.0° | 172.4° |
| C57 | C56 | C55 | H562 | 90.0° | 120.0° |
| C57 | C56 | C55 | H561 | 90.0° | 120.0° |
| C57 | C56 | C55 | C54 | 90.0° | 180.0° |
| C57 | C56 | C55 | H552 | 90.0° | 60.0° |
| C57 | C56 | C55 | H551 | 90.0° | 60.0° |
| C57 | C56 | H562 | H561 | 90.0° | 120.0° |
| C56 | C57 | H572 | H571 | 90.0° | 120.1° |
| C56 | C57 | C58 | H581 | 90.0° | 52.3° |
| C37 | C36 | C35 | H361 | 90.0° | 120.0° |
| C37 | C36 | C35 | H362 | 90.0° | 120.0° |
| C37 | C36 | C35 | C34 | 90.0° | 180.0° |
| C37 | C36 | C35 | H352 | 90.0° | 60.0° |
| C37 | C36 | C35 | H351 | 90.0° | 60.0° |
| C37 | C36 | H361 | H362 | 90.0° | 120.0° |
| C36 | C37 | H371 | H372 | 90.0° | 120.1° |
| C36 | C37 | C38 | H381 | 90.0° | 52.3° |
| C36 | C35 | C34 | H352 | 90.0° | 120.0° |
| C36 | C35 | C34 | H351 | 90.0° | 120.0° |
| C36 | C35 | C34 | C33 | 90.0° | 180.0° |
| C36 | C35 | C34 | H341 | 90.0° | 60.0° |
| C36 | C35 | C34 | H342 | 90.0° | 60.0° |
| C36 | C35 | H352 | H351 | 90.0° | 120.0° |
| C35 | C36 | H361 | H362 | 90.0° | 120.0° |
| C35 | C36 | C37 | H371 | 90.0° | 60.0° |
| C35 | C36 | C37 | H372 | 90.0° | 60.1° |
| C56 | C55 | C54 | H552 | 90.0° | 120.0° |
| C56 | C55 | C54 | H551 | 90.0° | 120.0° |
| C56 | C55 | C54 | C53 | 90.0° | 180.0° |
| C56 | C55 | C54 | H541 | 90.0° | 60.0° |
| C56 | C55 | C54 | H542 | 90.0° | 60.0° |
| C56 | C55 | H552 | H551 | 90.0° | 120.1° |
| C55 | C56 | H562 | H561 | 90.0° | 120.0° |
| C55 | C56 | C57 | H572 | 90.0° | 60.0° |
| C55 | C56 | C57 | H571 | 90.0° | 60.1° |
| C35 | C34 | C33 | H341 | 90.0° | 120.0° |
| C35 | C34 | C33 | H342 | 90.0° | 120.0° |
| C35 | C34 | C33 | C32 | 90.0° | 180.0° |
| C35 | C34 | C33 | H332 | 90.0° | 60.0° |
| C35 | C34 | C33 | H331 | 90.0° | 60.0° |
| C35 | C34 | H341 | H342 | 90.0° | 120.0° |
| C34 | C35 | H352 | H351 | 90.0° | 120.0° |
| C34 | C35 | C36 | H361 | 90.0° | 60.0° |
| C34 | C35 | C36 | H362 | 90.0° | 60.0° |
| C55 | C54 | C53 | H541 | 90.0° | 119.9° |
| C55 | C54 | C53 | H542 | 90.0° | 120.0° |
| C55 | C54 | C53 | C52 | 90.0° | 180.0° |
| C55 | C54 | C53 | H531 | 90.0° | 60.0° |
| C55 | C54 | C53 | H532 | 90.0° | 60.0° |
| C55 | C54 | H541 | H542 | 90.0° | 119.9° |
| C54 | C55 | H552 | H551 | 90.0° | 119.9° |
| C54 | C55 | C56 | H562 | 90.0° | 60.0° |
| C54 | C55 | C56 | H561 | 90.0° | 60.0° |
| C34 | C33 | C32 | H332 | 90.0° | 120.0° |
| C34 | C33 | C32 | H331 | 90.0° | 120.0° |
| C34 | C33 | C32 | C31 | 90.0° | NaN° |
| C34 | C33 | C32 | H322 | 90.0° | 60.0° |
| C34 | C33 | C32 | H321 | 90.0° | 60.0° |
| C34 | C33 | H332 | H331 | 90.0° | 120.0° |
| C33 | C34 | H341 | H342 | 90.0° | 120.0° |
| C33 | C34 | C35 | H352 | 90.0° | 60.0° |
| C33 | C34 | C35 | H351 | 90.0° | 60.0° |
| C54 | C53 | C52 | H531 | 90.0° | 120.0° |
| C54 | C53 | C52 | H532 | 90.0° | 120.0° |
| C54 | C53 | C52 | C51 | 90.0° | 180.0° |
| C54 | C53 | C52 | H521 | 90.0° | 60.0° |
| C54 | C53 | C52 | H522 | 90.0° | 60.0° |
| C54 | C53 | H531 | H532 | 90.0° | 120.0° |
| C53 | C54 | H541 | H542 | 90.0° | 120.1° |
| C53 | C54 | C55 | H552 | 90.0° | 60.0° |
| C53 | C54 | C55 | H551 | 90.0° | 60.0° |
| C33 | C32 | C31 | H322 | 90.0° | 120.0° |
| C33 | C32 | C31 | H321 | 90.0° | 120.1° |
| C33 | C32 | C31 | C29 | 90.0° | 180.0° |
| C33 | C32 | C31 | H311 | 90.0° | 60.0° |
| C33 | C32 | C31 | H312 | 90.0° | 60.0° |
| C33 | C32 | H322 | H321 | 90.0° | 120.0° |
| C32 | C33 | H332 | H331 | 90.0° | 120.0° |
| C32 | C33 | C34 | H341 | 90.0° | 60.0° |
| C32 | C33 | C34 | H342 | 90.0° | 59.9° |
| C53 | C52 | C51 | H521 | 90.0° | 120.0° |
| C53 | C52 | C51 | H522 | 90.0° | 120.1° |
| C53 | C52 | C51 | C49 | 90.0° | 180.0° |
| C53 | C52 | C51 | H511 | 90.0° | 60.0° |
| C53 | C52 | C51 | H512 | 90.0° | 59.9° |
| C53 | C52 | H521 | H522 | 90.0° | 120.0° |
| C52 | C53 | H531 | H532 | 90.0° | 120.0° |
| C52 | C53 | C54 | H541 | 90.0° | 60.1° |
| C52 | C53 | C54 | H542 | 90.0° | 60.0° |
| C52 | C51 | C49 | H511 | 90.0° | 120.0° |
| C52 | C51 | C49 | H512 | 90.0° | 120.0° |
| C52 | C51 | C49 | O50 | 90.0° | 0.0° |
| C52 | C51 | C49 | O48 | 90.0° | 180.0° |
| C52 | C51 | H511 | H512 | 90.0° | 119.9° |
| C51 | C52 | H521 | H522 | 90.0° | 119.9° |
| C51 | C52 | C53 | H531 | 90.0° | 60.0° |
| C51 | C52 | C53 | H532 | 90.0° | 60.0° |
| C32 | C31 | C29 | H311 | 90.0° | 120.0° |
| C32 | C31 | C29 | H312 | 90.0° | 119.9° |
| C32 | C31 | C29 | O30 | 90.0° | 0.0° |
| C32 | C31 | C29 | O28 | 90.0° | 180.0° |
| C32 | C31 | H311 | H312 | 90.0° | 119.9° |
| C31 | C32 | H322 | H321 | 90.0° | 120.0° |
| C31 | C32 | C33 | H332 | 90.0° | 60.0° |
| C31 | C32 | C33 | H331 | 90.0° | 60.0° |
| C31 | C29 | O30 | O28 | 90.0° | 180.0° |
| C31 | C29 | O28 | C02 | 90.0° | 180.0° |
| C29 | C31 | H311 | H312 | 90.0° | 120.1° |
| C29 | C31 | C32 | H322 | 90.0° | 60.0° |
| C29 | C31 | C32 | H321 | 90.0° | 60.0° |
| C51 | C49 | O50 | O48 | 90.0° | 180.0° |
| C51 | C49 | O48 | C01 | 90.0° | 180.0° |
| C49 | C51 | H511 | H512 | 90.0° | 120.0° |
| C49 | C51 | C52 | H521 | 90.0° | 60.0° |
| C49 | C51 | C52 | H522 | 90.0° | 60.0° |
| O30 | C29 | O28 | C02 | 90.0° | 0.0° |
| O30 | C29 | C31 | H311 | 90.0° | 120.0° |
| O30 | C29 | C31 | H312 | 90.0° | 119.9° |
| C29 | O28 | C02 | C01 | 90.0° | 150.0° |
| C29 | O28 | C02 | C03 | 90.0° | 90.0° |
| C29 | O28 | C02 | H021 | 90.0° | 29.9° |
| O28 | C29 | C31 | H311 | 90.0° | 60.0° |
| O28 | C29 | C31 | H312 | 90.0° | 60.0° |
| O50 | C49 | O48 | C01 | 90.0° | 0.0° |
| O50 | C49 | C51 | H511 | 90.0° | 120.0° |
| O50 | C49 | C51 | H512 | 90.0° | 120.0° |
| C49 | O48 | C01 | C02 | 90.0° | 180.0° |
| C49 | O48 | C01 | H012 | 90.0° | 59.9° |
| C49 | O48 | C01 | H011 | 90.0° | 60.0° |
| O48 | C49 | C51 | H511 | 90.0° | 60.0° |
| O48 | C49 | C51 | H512 | 90.0° | 60.0° |
| O28 | C02 | C01 | O48 | 90.0° | 65.0° |
| O28 | C02 | C01 | C03 | 90.0° | 120.0° |
| O28 | C02 | C01 | H021 | 90.0° | 120.0° |
| O28 | C02 | C03 | H021 | 90.0° | 120.0° |
| O28 | C02 | C03 | O04 | 90.0° | 65.0° |
| O28 | C02 | C03 | H032 | 90.0° | 175.0° |
| O28 | C02 | C03 | H031 | 90.0° | 55.0° |
| O28 | C02 | C01 | H012 | 90.0° | 55.0° |
| O28 | C02 | C01 | H011 | 90.0° | 175.0° |
| O48 | C01 | C02 | H012 | 90.0° | 120.0° |
| O48 | C01 | C02 | H011 | 90.0° | 120.0° |
| O48 | C01 | C02 | C03 | 90.0° | 55.0° |
| O48 | C01 | C02 | H021 | 90.0° | 175.0° |
| O48 | C01 | H012 | H011 | 90.0° | 119.9° |
| C01 | C02 | C03 | H021 | 90.0° | 120.0° |
| C01 | C02 | C03 | O04 | 90.0° | 55.0° |
| C01 | C02 | C03 | H032 | 90.0° | 65.0° |
| C01 | C02 | C03 | H031 | 90.0° | 175.0° |
| C02 | C01 | H012 | H011 | 90.0° | 120.0° |
| C02 | C03 | O04 | H032 | 90.0° | 120.1° |
| C02 | C03 | O04 | H031 | 90.0° | 120.0° |
| C02 | C03 | O04 | P05 | 90.0° | 180.0° |
| C02 | C03 | H032 | H031 | 90.0° | 120.0° |
| C03 | C02 | C01 | H012 | 90.0° | 175.0° |
| C03 | C02 | C01 | H011 | 90.0° | 65.0° |
| C03 | O04 | P05 | O08 | 90.0° | 175.1° |
| C03 | O04 | P05 | O07 | 90.0° | 55.0° |
| C03 | O04 | P05 | O06 | 90.0° | 65.0° |
| O04 | C03 | C02 | H021 | 90.0° | 175.0° |
| O04 | C03 | H032 | H031 | 90.0° | 119.9° |
| O04 | P05 | O08 | O07 | 90.0° | 120.1° |
| O04 | P05 | O08 | O06 | 90.0° | 119.9° |
| O04 | P05 | O07 | O06 | 90.0° | 120.0° |
| O04 | P05 | O08 | C09 | 90.0° | 175.0° |
| P05 | O04 | C03 | H032 | 90.0° | 60.0° |
| P05 | O04 | C03 | H031 | 90.0° | 60.0° |
| O04 | P05 | O06 | H3 | 90.0° | 60.0° |
| O26 | P23 | O24 | O25 | 90.0° | 120.0° |
| O26 | P23 | O24 | O22 | 90.0° | 120.0° |
| O26 | P23 | O25 | O22 | 90.0° | 120.0° |
| O26 | P23 | O22 | C11 | 90.0° | 55.0° |
| O26 | P23 | O24 | H6 | 90.0° | 60.0° |
| O26 | P23 | O25 | H7 | 90.0° | 180.0° |
| O24 | P23 | O25 | O22 | 90.0° | 120.0° |
| O24 | P23 | O22 | C11 | 90.0° | 175.0° |
| O24 | P23 | O25 | H7 | 90.0° | 60.0° |
| O27 | C10 | C09 | C11 | 90.0° | 120.0° |
| O27 | C10 | C09 | H101 | 90.0° | 120.0° |
| O27 | C10 | C11 | H101 | 90.0° | 120.0° |
| O27 | C10 | C09 | O08 | 90.0° | 60.0° |
| O27 | C10 | C11 | O22 | 90.0° | 60.0° |
| O27 | C10 | C09 | C14 | 90.0° | 180.0° |
| O27 | C10 | C11 | C12 | 90.0° | 180.0° |
| O27 | C10 | C09 | H091 | 90.0° | 60.0° |
| O27 | C10 | C11 | H111 | 90.0° | 60.0° |
| O25 | P23 | O22 | C11 | 90.0° | 65.0° |
| O25 | P23 | O24 | H6 | 90.0° | 60.0° |
| P23 | O22 | C11 | C10 | 90.0° | 120.0° |
| P23 | O22 | C11 | C12 | 90.0° | 120.0° |
| P23 | O22 | C11 | H111 | 90.0° | 0.0° |
| O22 | P23 | O24 | H6 | 90.0° | 180.0° |
| O22 | P23 | O25 | H7 | 90.0° | 60.0° |
| O08 | P05 | O07 | O06 | 90.0° | 120.0° |
| P05 | O08 | C09 | C10 | 90.0° | 120.0° |
| P05 | O08 | C09 | C14 | 90.0° | 120.1° |
| P05 | O08 | C09 | H091 | 90.0° | 0.1° |
| O08 | P05 | O06 | H3 | 90.0° | 60.0° |
| O07 | P05 | O08 | C09 | 90.0° | 54.9° |
| O07 | P05 | O06 | H3 | 90.0° | 180.0° |
| O06 | P05 | O08 | C09 | 90.0° | 65.1° |
| C09 | C10 | C11 | H101 | 90.0° | 120.0° |
| C10 | C09 | O08 | C14 | 90.0° | 120.0° |
| C10 | C09 | O08 | H091 | 90.0° | 120.0° |
| C09 | C10 | C11 | O22 | 90.0° | 180.0° |
| C10 | C09 | C14 | H091 | 90.0° | 120.0° |
| C09 | C10 | C11 | C12 | 90.0° | 60.0° |
| C10 | C09 | C14 | C13 | 90.0° | 60.0° |
| C10 | C09 | C14 | O15 | 90.0° | 60.0° |
| C09 | C10 | C11 | H111 | 90.0° | 60.0° |
| C10 | C09 | C14 | H141 | 90.0° | 180.0° |
| C09 | C10 | O27 | H271 | 90.0° | 60.0° |
| C11 | C10 | C09 | O08 | 90.0° | 180.0° |
| C10 | C11 | O22 | C12 | 90.0° | 120.0° |
| C10 | C11 | O22 | H111 | 90.0° | 120.0° |
| C11 | C10 | C09 | C14 | 90.0° | 60.0° |
| C10 | C11 | C12 | H111 | 90.0° | 120.0° |
| C10 | C11 | C12 | C13 | 90.0° | 60.0° |
| C10 | C11 | C12 | O17 | 90.0° | 180.0° |
| C11 | C10 | C09 | H091 | 90.0° | 60.0° |
| C10 | C11 | C12 | H121 | 90.0° | 60.0° |
| C11 | C10 | O27 | H271 | 90.0° | 180.0° |
| O08 | C09 | C14 | H091 | 90.0° | 120.0° |
| O08 | C09 | C14 | C13 | 90.0° | 180.0° |
| O08 | C09 | C14 | O15 | 90.0° | 60.0° |
| O08 | C09 | C14 | H141 | 90.0° | 60.0° |
| O08 | C09 | C10 | H101 | 90.0° | 60.0° |
| O22 | C11 | C12 | H111 | 90.0° | 120.0° |
| O22 | C11 | C12 | C13 | 90.0° | 180.0° |
| O22 | C11 | C12 | O17 | 90.0° | 60.0° |
| O22 | C11 | C12 | H121 | 90.0° | 60.0° |
| O22 | C11 | C10 | H101 | 90.0° | 60.0° |
| C09 | C14 | C13 | O15 | 90.0° | 120.0° |
| C09 | C14 | C13 | H141 | 90.0° | 120.0° |
| C09 | C14 | O15 | H141 | 90.0° | 120.0° |
| C09 | C14 | C13 | C12 | 90.0° | 60.1° |
| C09 | C14 | C13 | O16 | 90.0° | 180.0° |
| C09 | C14 | C13 | H131 | 90.0° | 60.0° |
| C14 | C09 | C10 | H101 | 90.0° | 60.0° |
| C09 | C14 | O15 | H151 | 90.0° | 180.0° |
| C11 | C12 | C13 | C14 | 90.0° | 60.0° |
| C11 | C12 | C13 | O17 | 90.0° | 120.0° |
| C11 | C12 | C13 | H121 | 90.0° | 120.0° |
| C11 | C12 | O17 | H121 | 90.0° | 120.0° |
| C11 | C12 | C13 | O16 | 90.0° | 180.0° |
| C11 | C12 | O17 | P18 | 90.0° | 120.0° |
| C11 | C12 | C13 | H131 | 90.0° | 60.0° |
| C12 | C11 | C10 | H101 | 90.0° | 60.0° |
| O21 | P18 | O17 | C12 | 90.0° | 55.0° |
| O21 | P18 | O17 | O19 | 90.0° | 120.0° |
| O21 | P18 | O17 | O20 | 90.0° | 120.0° |
| O21 | P18 | O19 | O20 | 90.0° | 120.0° |
| O21 | P18 | O19 | H4 | 90.0° | 180.0° |
| O21 | P18 | O20 | H5 | 90.0° | 60.0° |
| C13 | C14 | O15 | H141 | 90.0° | 120.0° |
| C14 | C13 | C12 | O16 | 90.0° | 120.0° |
| C14 | C13 | C12 | H131 | 90.0° | 120.1° |
| C14 | C13 | C12 | O17 | 90.0° | 180.0° |
| C14 | C13 | O16 | H131 | 90.0° | 120.0° |
| C13 | C14 | C09 | H091 | 90.0° | 60.0° |
| C14 | C13 | C12 | H121 | 90.0° | 59.9° |
| C13 | C14 | O15 | H151 | 90.0° | 60.0° |
| C14 | C13 | O16 | H161 | 90.0° | 60.0° |
| O15 | C14 | C13 | C12 | 90.0° | 60.0° |
| O15 | C14 | C13 | O16 | 90.0° | 60.0° |
| O15 | C14 | C09 | H091 | 90.0° | 180.0° |
| O15 | C14 | C13 | H131 | 90.0° | 180.0° |
| C13 | C12 | O17 | H121 | 90.0° | 120.0° |
| C12 | C13 | O16 | H131 | 90.0° | 120.0° |
| C13 | C12 | O17 | P18 | 90.0° | 120.0° |
| C13 | C12 | C11 | H111 | 90.0° | 60.0° |
| C12 | C13 | C14 | H141 | 90.0° | 180.0° |
| C12 | C13 | O16 | H161 | 90.0° | 180.0° |
| O17 | C12 | C13 | O16 | 90.0° | 60.0° |
| C12 | O17 | P18 | O19 | 90.0° | 65.0° |
| C12 | O17 | P18 | O20 | 90.0° | 175.0° |
| O17 | C12 | C11 | H111 | 90.0° | 60.0° |
| O17 | C12 | C13 | H131 | 90.0° | 60.0° |
| O16 | C13 | C12 | H121 | 90.0° | 60.0° |
| O16 | C13 | C14 | H141 | 90.0° | 60.0° |
| O17 | P18 | O19 | O20 | 90.0° | 120.0° |
| P18 | O17 | C12 | H121 | 90.0° | 0.0° |
| O17 | P18 | O19 | H4 | 90.0° | 60.0° |
| O17 | P18 | O20 | H5 | 90.0° | 180.0° |
| O19 | P18 | O20 | H5 | 90.0° | 60.0° |
| O20 | P18 | O19 | H4 | 90.0° | 60.0° |
| H021 | C02 | C03 | H032 | 90.0° | 55.0° |
| H021 | C02 | C03 | H031 | 90.0° | 65.0° |
| H021 | C02 | C01 | H012 | 90.0° | 65.0° |
| H021 | C02 | C01 | H011 | 90.0° | 55.0° |
| H091 | C09 | C14 | H141 | 90.0° | 60.0° |
| H091 | C09 | C10 | H101 | 90.0° | NaN° |
| H111 | C11 | C12 | H121 | 90.0° | 180.0° |
| H111 | C11 | C10 | H101 | 90.0° | 180.0° |
| H121 | C12 | C13 | H131 | 90.0° | 180.0° |
| H131 | C13 | C14 | H141 | 90.0° | 60.0° |
| H131 | C13 | O16 | H161 | 90.0° | 60.0° |
| H141 | C14 | O15 | H151 | 90.0° | 60.0° |
| H101 | C10 | O27 | H271 | 90.0° | 60.0° |
| H311 | C31 | C32 | H322 | 90.0° | 180.0° |
| H311 | C31 | C32 | H321 | 90.0° | 60.1° |
| H312 | C31 | C32 | H322 | 90.0° | 60.0° |
| H312 | C31 | C32 | H321 | 90.0° | 180.0° |
| H322 | C32 | C33 | H332 | 90.0° | NaN° |
| H322 | C32 | C33 | H331 | 90.0° | 60.0° |
| H321 | C32 | C33 | H332 | 90.0° | 60.0° |
| H321 | C32 | C33 | H331 | 90.0° | 180.0° |
| H332 | C33 | C34 | H341 | 90.0° | 180.0° |
| H332 | C33 | C34 | H342 | 90.0° | 60.0° |
| H331 | C33 | C34 | H341 | 90.0° | 60.0° |
| H331 | C33 | C34 | H342 | 90.0° | 180.0° |
| H341 | C34 | C35 | H352 | 90.0° | 180.0° |
| H341 | C34 | C35 | H351 | 90.0° | 60.0° |
| H342 | C34 | C35 | H352 | 90.0° | 60.0° |
| H342 | C34 | C35 | H351 | 90.0° | 180.0° |
| H352 | C35 | C36 | H361 | 90.0° | 180.0° |
| H352 | C35 | C36 | H362 | 90.0° | 60.0° |
| H351 | C35 | C36 | H361 | 90.0° | 60.0° |
| H351 | C35 | C36 | H362 | 90.0° | 180.0° |
| H361 | C36 | C37 | H371 | 90.0° | 180.0° |
| H361 | C36 | C37 | H372 | 90.0° | 59.9° |
| H362 | C36 | C37 | H371 | 90.0° | 60.0° |
| H362 | C36 | C37 | H372 | 90.0° | 179.9° |
| H371 | C37 | C38 | H381 | 90.0° | 172.3° |
| H372 | C37 | C38 | H381 | 90.0° | 67.6° |
| H381 | C38 | C39 | H391 | 90.0° | 7.5° |
| H391 | C39 | C40 | H402 | 90.0° | 66.3° |
| H391 | C39 | C40 | H401 | 90.0° | 173.6° |
| H402 | C40 | C41 | H411 | 90.0° | 180.0° |
| H402 | C40 | C41 | H412 | 90.0° | 60.0° |
| H401 | C40 | C41 | H411 | 90.0° | 60.0° |
| H401 | C40 | C41 | H412 | 90.0° | NaN° |
| H411 | C41 | C42 | H422 | 90.0° | 180.0° |
| H411 | C41 | C42 | H421 | 90.0° | 60.0° |
| H412 | C41 | C42 | H422 | 90.0° | 60.0° |
| H412 | C41 | C42 | H421 | 90.0° | 180.0° |
| H422 | C42 | C43 | H432 | 90.0° | 180.0° |
| H422 | C42 | C43 | H431 | 90.0° | 60.0° |
| H421 | C42 | C43 | H432 | 90.0° | 60.0° |
| H421 | C42 | C43 | H431 | 90.0° | 180.0° |
| H432 | C43 | C44 | H442 | 90.0° | 180.0° |
| H432 | C43 | C44 | H441 | 90.0° | 59.9° |
| H431 | C43 | C44 | H442 | 90.0° | 59.9° |
| H431 | C43 | C44 | H441 | 90.0° | 180.0° |
| H442 | C44 | C45 | H452 | 90.0° | 180.0° |
| H442 | C44 | C45 | H451 | 90.0° | 60.0° |
| H441 | C44 | C45 | H452 | 90.0° | 60.0° |
| H441 | C44 | C45 | H451 | 90.0° | 180.0° |
| H452 | C45 | C46 | H462 | 90.0° | 180.0° |
| H452 | C45 | C46 | H461 | 90.0° | 60.0° |
| H451 | C45 | C46 | H462 | 90.0° | 60.0° |
| H451 | C45 | C46 | H461 | 90.0° | 180.0° |
| H462 | C46 | C47 | H473 | 90.0° | 180.0° |
| H462 | C46 | C47 | H472 | 90.0° | 59.9° |
| H462 | C46 | C47 | H471 | 90.0° | 60.1° |
| H461 | C46 | C47 | H473 | 90.0° | 60.0° |
| H461 | C46 | C47 | H472 | 90.0° | 180.0° |
| H461 | C46 | C47 | H471 | 90.0° | 60.0° |
| H473 | C47 | H472 | H471 | 90.0° | 120.0° |
| H511 | C51 | C52 | H521 | 90.0° | NaN° |
| H511 | C51 | C52 | H522 | 90.0° | 60.1° |
| H512 | C51 | C52 | H521 | 90.0° | 60.1° |
| H512 | C51 | C52 | H522 | 90.0° | 180.0° |
| H521 | C52 | C53 | H531 | 90.0° | 180.0° |
| H521 | C52 | C53 | H532 | 90.0° | 60.0° |
| H522 | C52 | C53 | H531 | 90.0° | 60.0° |
| H522 | C52 | C53 | H532 | 90.0° | NaN° |
| H531 | C53 | C54 | H541 | 90.0° | 179.9° |
| H531 | C53 | C54 | H542 | 90.0° | 60.0° |
| H532 | C53 | C54 | H541 | 90.0° | 60.0° |
| H532 | C53 | C54 | H542 | 90.0° | 179.9° |
| H541 | C54 | C55 | H552 | 90.0° | 180.0° |
| H541 | C54 | C55 | H551 | 90.0° | 60.0° |
| H542 | C54 | C55 | H552 | 90.0° | 60.0° |
| H542 | C54 | C55 | H551 | 90.0° | 180.0° |
| H552 | C55 | C56 | H562 | 90.0° | 179.9° |
| H552 | C55 | C56 | H561 | 90.0° | 60.0° |
| H551 | C55 | C56 | H562 | 90.0° | 60.0° |
| H551 | C55 | C56 | H561 | 90.0° | 180.0° |
| H562 | C56 | C57 | H572 | 90.0° | 180.0° |
| H562 | C56 | C57 | H571 | 90.0° | 59.9° |
| H561 | C56 | C57 | H572 | 90.0° | 60.0° |
| H561 | C56 | C57 | H571 | 90.0° | 179.9° |
| H572 | C57 | C58 | H581 | 90.0° | 172.4° |
| H571 | C57 | C58 | H581 | 90.0° | 67.6° |
| H581 | C58 | C59 | H591 | 90.0° | 7.6° |
| H591 | C59 | C60 | H602 | 90.0° | 66.3° |
| H591 | C59 | C60 | H601 | 90.0° | 173.7° |
| H602 | C60 | C61 | H612 | 90.0° | 180.0° |
| H602 | C60 | C61 | H611 | 90.0° | 60.0° |
| H601 | C60 | C61 | H612 | 90.0° | 59.9° |
| H601 | C60 | C61 | H611 | 90.0° | NaN° |
| H612 | C61 | C62 | H621 | 90.0° | 180.0° |
| H612 | C61 | C62 | H622 | 90.0° | 60.0° |
| H611 | C61 | C62 | H621 | 90.0° | 60.0° |
| H611 | C61 | C62 | H622 | 90.0° | 180.0° |
| H621 | C62 | C63 | H632 | 90.0° | 180.0° |
| H621 | C62 | C63 | H631 | 90.0° | 60.0° |
| H622 | C62 | C63 | H632 | 90.0° | 60.0° |
| H622 | C62 | C63 | H631 | 90.0° | NaN° |
| H632 | C63 | C64 | H641 | 90.0° | 180.0° |
| H632 | C63 | C64 | H642 | 90.0° | 60.0° |
| H631 | C63 | C64 | H641 | 90.0° | 60.0° |
| H631 | C63 | C64 | H642 | 90.0° | 180.0° |
| H641 | C64 | C65 | H651 | 90.0° | 180.0° |
| H641 | C64 | C65 | H652 | 90.0° | 60.0° |
| H642 | C64 | C65 | H651 | 90.0° | 60.0° |
| H642 | C64 | C65 | H652 | 90.0° | 180.0° |
| H651 | C65 | C66 | H662 | 90.0° | 180.0° |
| H651 | C65 | C66 | H661 | 90.0° | 60.0° |
| H652 | C65 | C66 | H662 | 90.0° | 60.0° |
| H652 | C65 | C66 | H661 | 90.0° | 180.0° |
| H662 | C66 | C67 | H671 | 90.0° | 60.0° |
| H662 | C66 | C67 | H673 | 90.0° | 180.0° |
| H662 | C66 | C67 | H672 | 90.0° | 60.1° |
| H661 | C66 | C67 | H671 | 90.0° | 60.0° |
| H661 | C66 | C67 | H673 | 90.0° | 60.1° |
| H661 | C66 | C67 | H672 | 90.0° | 180.0° |
| H671 | C67 | H673 | H672 | 90.0° | 120.0° |






