PQE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O47 | C68 | sing | 1.42Å | 1.44Å | |
| O47 | HO47 | sing | 0.97Å | 0.95Å | |
| C68 | C52 | sing | 1.52Å | 1.53Å | |
| C68 | H681 | sing | 1.09Å | 1.10Å | |
| C68 | H682 | sing | 1.09Å | 1.10Å | |
| C52 | O70 | sing | 1.42Å | 1.43Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| O70 | C55 | sing | 1.42Å | 1.43Å | |
| C55 | C58 | sing | 1.52Å | 1.52Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C58 | O71 | sing | 1.42Å | 1.43Å | |
| C58 | H581 | sing | 1.09Å | 1.10Å | |
| C58 | H582 | sing | 1.09Å | 1.10Å | |
| O71 | C61 | sing | 1.42Å | 1.43Å | |
| C61 | C62 | sing | 1.52Å | 1.52Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | sing | 1.53Å | 1.52Å | |
| C62 | H621 | sing | 1.10Å | 1.10Å | |
| C62 | H622 | sing | 1.10Å | 1.10Å | |
| C63 | C66 | sing | 1.53Å | 1.53Å | |
| C63 | H631 | sing | 1.10Å | 1.10Å | |
| C63 | H632 | sing | 1.10Å | 1.10Å | |
| C66 | C67 | sing | 1.52Å | 1.52Å | |
| C66 | H661 | sing | 1.10Å | 1.10Å | |
| C66 | H662 | sing | 1.10Å | 1.10Å | |
| C67 | O72 | sing | 1.42Å | 1.43Å | |
| C67 | H671 | sing | 1.09Å | 1.10Å | |
| C67 | H672 | sing | 1.09Å | 1.10Å | |
| O72 | C65 | sing | 1.42Å | 1.43Å | |
| C65 | C64 | sing | 1.52Å | 1.53Å | |
| C65 | H651 | sing | 1.09Å | 1.10Å | |
| C65 | H652 | sing | 1.09Å | 1.10Å | |
| C64 | O73 | sing | 1.42Å | 1.43Å | |
| C64 | H641 | sing | 1.09Å | 1.10Å | |
| C64 | H642 | sing | 1.09Å | 1.10Å | |
| O73 | C60 | sing | 1.42Å | 1.43Å | |
| C60 | C59 | sing | 1.52Å | 1.53Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| C59 | O74 | sing | 1.42Å | 1.43Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| O74 | C57 | sing | 1.42Å | 1.43Å | |
| C57 | C56 | sing | 1.52Å | 1.52Å | |
| C57 | H571 | sing | 1.10Å | 1.10Å | |
| C57 | H572 | sing | 1.09Å | 1.10Å | |
| C56 | O75 | sing | 1.42Å | 1.43Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C56 | H562 | sing | 1.09Å | 1.10Å | |
| O75 | C54 | sing | 1.42Å | 1.43Å | |
| C54 | C53 | sing | 1.52Å | 1.52Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C53 | O76 | sing | 1.42Å | 1.43Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| O76 | C51 | sing | 1.42Å | 1.43Å | |
| C51 | C50 | sing | 1.52Å | 1.52Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C50 | C49 | sing | 1.53Å | 1.52Å | |
| C50 | H501 | sing | 1.10Å | 1.10Å | |
| C50 | H502 | sing | 1.10Å | 1.10Å | |
| C49 | C48 | sing | 1.53Å | 1.53Å | |
| C49 | H491 | sing | 1.10Å | 1.10Å | |
| C49 | H492 | sing | 1.10Å | 1.10Å | |
| C48 | C47 | sing | 1.53Å | 1.53Å | |
| C48 | H481 | sing | 1.10Å | 1.10Å | |
| C48 | H482 | sing | 1.10Å | 1.10Å | |
| C47 | C46 | sing | 1.53Å | 1.53Å | |
| C47 | H471 | sing | 1.10Å | 1.10Å | |
| C47 | H472 | sing | 1.10Å | 1.10Å | |
| C46 | C45 | sing | 1.53Å | 1.53Å | |
| C46 | H461 | sing | 1.10Å | 1.10Å | |
| C46 | H462 | sing | 1.10Å | 1.10Å | |
| C45 | C44 | sing | 1.53Å | 1.53Å | |
| C45 | H451 | sing | 1.10Å | 1.10Å | |
| C45 | H452 | sing | 1.10Å | 1.10Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C44 | H441 | sing | 1.10Å | 1.10Å | |
| C44 | H442 | sing | 1.10Å | 1.10Å | |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| C43 | H431 | sing | 1.10Å | 1.10Å | |
| C43 | H432 | sing | 1.10Å | 1.10Å | |
| C42 | C41 | sing | 1.53Å | 1.53Å | |
| C42 | H421 | sing | 1.10Å | 1.10Å | |
| C42 | H422 | sing | 1.10Å | 1.10Å | |
| C41 | C40 | sing | 1.52Å | 1.51Å | |
| C41 | H411 | sing | 1.10Å | 1.10Å | |
| C41 | H412 | sing | 1.10Å | 1.10Å | |
| C40 | H401 | sing | 1.10Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C68 | O47 | HO47 | 109.5° | 106.7° |
| O47 | C68 | C52 | 109.8° | 109.0° |
| O47 | C68 | H681 | 109.4° | 108.2° |
| O47 | C68 | H682 | 109.3° | 108.2° |
| C52 | C68 | H681 | 109.3° | 111.2° |
| C52 | C68 | H682 | 109.3° | 110.4° |
| C68 | C52 | O70 | 110.0° | 109.1° |
| C68 | C52 | H521 | 109.3° | 111.1° |
| C68 | C52 | H522 | 109.1° | 110.5° |
| H681 | C68 | H682 | 109.7° | 109.7° |
| O70 | C52 | H521 | 109.3° | 108.2° |
| O70 | C52 | H522 | 109.1° | 108.2° |
| C52 | O70 | C55 | 111.8° | 111.5° |
| H521 | C52 | H522 | 110.0° | 109.7° |
| O70 | C55 | C58 | 109.8° | 109.1° |
| O70 | C55 | H551 | 109.4° | 108.1° |
| O70 | C55 | H552 | 109.3° | 108.2° |
| C58 | C55 | H551 | 109.4° | 111.2° |
| C58 | C55 | H552 | 109.3° | 110.5° |
| C55 | C58 | O71 | 109.5° | 109.1° |
| C55 | C58 | H581 | 109.4° | 111.1° |
| C55 | C58 | H582 | 109.5° | 110.5° |
| H551 | C55 | H552 | 109.7° | 109.7° |
| O71 | C58 | H581 | 109.4° | 108.2° |
| O71 | C58 | H582 | 109.4° | 108.2° |
| C58 | O71 | C61 | 112.2° | 111.6° |
| H581 | C58 | H582 | 109.5° | 109.6° |
| O71 | C61 | C62 | 109.1° | 108.9° |
| O71 | C61 | H611 | 109.6° | 108.5° |
| O71 | C61 | H612 | 109.7° | 108.6° |
| C62 | C61 | H611 | 109.6° | 110.9° |
| C62 | C61 | H612 | 109.6° | 110.9° |
| C61 | C62 | C63 | 111.6° | 111.7° |
| C61 | C62 | H621 | 108.8° | 109.3° |
| C61 | C62 | H622 | 108.3° | 109.3° |
| H611 | C61 | H612 | 109.2° | 109.1° |
| C63 | C62 | H621 | 108.8° | 110.3° |
| C63 | C62 | H622 | 108.3° | 110.3° |
| C62 | C63 | C66 | 110.6° | 111.3° |
| C62 | C63 | H631 | 109.1° | 109.4° |
| C62 | C63 | H632 | 108.9° | 109.5° |
| H621 | C62 | H622 | 111.2° | 105.8° |
| C66 | C63 | H631 | 109.1° | 109.9° |
| C66 | C63 | H632 | 108.8° | 109.5° |
| C63 | C66 | C67 | 111.2° | 112.2° |
| C63 | C66 | H661 | 108.9° | 109.7° |
| C63 | C66 | H662 | 108.5° | 108.9° |
| H631 | C63 | H632 | 110.3° | 107.2° |
| C67 | C66 | H661 | 108.9° | 109.0° |
| C67 | C66 | H662 | 108.5° | 109.2° |
| C66 | C67 | O72 | 109.6° | 110.0° |
| C66 | C67 | H671 | 109.4° | 110.0° |
| C66 | C67 | H672 | 109.4° | 111.0° |
| H661 | C66 | H662 | 110.8° | 107.7° |
| O72 | C67 | H671 | 109.4° | 108.4° |
| O72 | C67 | H672 | 109.4° | 108.8° |
| C67 | O72 | C65 | 112.0° | 111.5° |
| H671 | C67 | H672 | 109.6° | 108.7° |
| O72 | C65 | C64 | 109.8° | 109.0° |
| O72 | C65 | H651 | 109.4° | 108.2° |
| O72 | C65 | H652 | 109.3° | 108.2° |
| C64 | C65 | H651 | 109.4° | 111.1° |
| C64 | C65 | H652 | 109.3° | 110.5° |
| C65 | C64 | O73 | 109.1° | 109.1° |
| C65 | C64 | H641 | 109.6° | 111.1° |
| C65 | C64 | H642 | 109.7° | 110.5° |
| H651 | C65 | H652 | 109.7° | 109.7° |
| O73 | C64 | H641 | 109.6° | 108.2° |
| O73 | C64 | H642 | 109.7° | 108.2° |
| C64 | O73 | C60 | 112.2° | 111.5° |
| H641 | C64 | H642 | 109.2° | 109.7° |
| O73 | C60 | C59 | 109.2° | 109.0° |
| O73 | C60 | H601 | 109.6° | 108.1° |
| O73 | C60 | H602 | 109.6° | 108.2° |
| C59 | C60 | H601 | 109.6° | 111.2° |
| C59 | C60 | H602 | 109.6° | 110.5° |
| C60 | C59 | O74 | 109.9° | 109.1° |
| C60 | C59 | H591 | 109.3° | 111.2° |
| C60 | C59 | H592 | 109.2° | 110.4° |
| H601 | C60 | H602 | 109.2° | 109.7° |
| O74 | C59 | H591 | 109.3° | 108.2° |
| O74 | C59 | H592 | 109.2° | 108.3° |
| C59 | O74 | C57 | 111.5° | 111.5° |
| H591 | C59 | H592 | 109.8° | 109.7° |
| O74 | C57 | C56 | 109.4° | 109.1° |
| O74 | C57 | H571 | 109.5° | 108.2° |
| O74 | C57 | H572 | 109.5° | 108.3° |
| C56 | C57 | H571 | 109.5° | 111.1° |
| C56 | C57 | H572 | 109.6° | 110.5° |
| C57 | C56 | O75 | 110.0° | 109.0° |
| C57 | C56 | H561 | 109.3° | 111.2° |
| C57 | C56 | H562 | 109.2° | 110.5° |
| H571 | C57 | H572 | 109.4° | 109.7° |
| O75 | C56 | H561 | 109.3° | 108.1° |
| O75 | C56 | H562 | 109.2° | 108.2° |
| C56 | O75 | C54 | 111.4° | 111.5° |
| H561 | C56 | H562 | 109.8° | 109.7° |
| O75 | C54 | C53 | 109.7° | 109.0° |
| O75 | C54 | H541 | 109.4° | 108.1° |
| O75 | C54 | H542 | 109.3° | 108.3° |
| C53 | C54 | H541 | 109.4° | 111.1° |
| C53 | C54 | H542 | 109.3° | 110.5° |
| C54 | C53 | O76 | 109.0° | 109.1° |
| C54 | C53 | H531 | 109.6° | 111.1° |
| C54 | C53 | H532 | 109.7° | 110.5° |
| H541 | C54 | H542 | 109.7° | 109.7° |
| O76 | C53 | H531 | 109.6° | 108.2° |
| O76 | C53 | H532 | 109.7° | 108.3° |
| C53 | O76 | C51 | 112.0° | 111.6° |
| H531 | C53 | H532 | 109.1° | 109.7° |
| O76 | C51 | C50 | 109.4° | 109.9° |
| O76 | C51 | H511 | 109.5° | 108.3° |
| O76 | C51 | H512 | 109.5° | 108.8° |
| C50 | C51 | H511 | 109.5° | 110.0° |
| C50 | C51 | H512 | 109.5° | 111.0° |
| C51 | C50 | C49 | 110.7° | 112.2° |
| C51 | C50 | H501 | 109.1° | 109.3° |
| C51 | C50 | H502 | 108.8° | 109.0° |
| H511 | C51 | H512 | 109.4° | 108.8° |
| C49 | C50 | H501 | 109.1° | 108.8° |
| C49 | C50 | H502 | 108.8° | 109.7° |
| C50 | C49 | C48 | 111.0° | 111.2° |
| C50 | C49 | H491 | 109.0° | 109.5° |
| C50 | C49 | H492 | 108.6° | 109.4° |
| H501 | C50 | H502 | 110.4° | 107.7° |
| C48 | C49 | H491 | 109.0° | 109.5° |
| C48 | C49 | H492 | 108.6° | 109.9° |
| C49 | C48 | C47 | 111.2° | 113.4° |
| C49 | C48 | H481 | 108.9° | 109.1° |
| C49 | C48 | H482 | 108.5° | 109.7° |
| H491 | C49 | H492 | 110.7° | 107.2° |
| C47 | C48 | H481 | 108.9° | 108.1° |
| C47 | C48 | H482 | 108.5° | 109.7° |
| C48 | C47 | C46 | 111.2° | 113.3° |
| C48 | C47 | H471 | 108.9° | 108.2° |
| C48 | C47 | H472 | 108.5° | 109.0° |
| H481 | C48 | H482 | 110.8° | 106.7° |
| C46 | C47 | H471 | 108.9° | 109.1° |
| C46 | C47 | H472 | 108.5° | 110.2° |
| C47 | C46 | C45 | 111.2° | 113.3° |
| C47 | C46 | H461 | 108.9° | 110.3° |
| C47 | C46 | H462 | 108.5° | 109.0° |
| H471 | C47 | H472 | 110.8° | 106.9° |
| C45 | C46 | H461 | 108.9° | 109.6° |
| C45 | C46 | H462 | 108.5° | 108.0° |
| C46 | C45 | C44 | 111.1° | 116.0° |
| C46 | C45 | H451 | 109.0° | 108.3° |
| C46 | C45 | H452 | 108.5° | 108.8° |
| H461 | C46 | H462 | 110.8° | 106.3° |
| C44 | C45 | H451 | 108.9° | 108.8° |
| C44 | C45 | H452 | 108.6° | 108.3° |
| C45 | C44 | C43 | 111.1° | 113.4° |
| C45 | C44 | H441 | 109.0° | 110.0° |
| C45 | C44 | H442 | 108.6° | 107.4° |
| H451 | C45 | H452 | 110.7° | 106.2° |
| C43 | C44 | H441 | 108.9° | 109.8° |
| C43 | C44 | H442 | 108.6° | 109.6° |
| C44 | C43 | C42 | 111.1° | 113.3° |
| C44 | C43 | H431 | 108.9° | 109.5° |
| C44 | C43 | H432 | 108.6° | 109.9° |
| H441 | C44 | H442 | 110.8° | 106.3° |
| C42 | C43 | H431 | 108.9° | 107.4° |
| C42 | C43 | H432 | 108.6° | 109.7° |
| C43 | C42 | C41 | 111.2° | 113.5° |
| C43 | C42 | H421 | 108.9° | 109.6° |
| C43 | C42 | H422 | 108.5° | 108.1° |
| H431 | C43 | H432 | 110.7° | 106.8° |
| C41 | C42 | H421 | 108.9° | 109.8° |
| C41 | C42 | H422 | 108.5° | 108.9° |
| C42 | C41 | C40 | 111.2° | 111.3° |
| C42 | C41 | H411 | 108.9° | 110.4° |
| C42 | C41 | H412 | 108.5° | 109.9° |
| H421 | C42 | H422 | 110.9° | 106.7° |
| C40 | C41 | H411 | 108.9° | 108.6° |
| C40 | C41 | H412 | 108.5° | 109.1° |
| C41 | C40 | H401 | 109.5° | 111.0° |
| C41 | C40 | H402 | 109.4° | 110.2° |
| C41 | C40 | H403 | 109.4° | 111.0° |
| H411 | C41 | H412 | 110.9° | 107.4° |
| H401 | C40 | H402 | 109.5° | 108.0° |
| H401 | C40 | H403 | 109.5° | 108.3° |
| H402 | C40 | H403 | 109.5° | 108.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O47 | C68 | C52 | H681 | 120.0° | 119.2° |
| O47 | C68 | C52 | H682 | 119.9° | 118.8° |
| O47 | C68 | H681 | H682 | 119.9° | 117.8° |
| O47 | C68 | C52 | O70 | 155.4° | 60.8° |
| O47 | C68 | C52 | H521 | 35.4° | 180.0° |
| O47 | C68 | C52 | H522 | 84.9° | 58.0° |
| HO47 | O47 | C68 | C52 | 86.0° | 124.1° |
| HO47 | O47 | C68 | H681 | 154.0° | 3.0° |
| HO47 | O47 | C68 | H682 | 33.9° | 115.7° |
| C52 | C68 | H681 | H682 | 119.8° | 122.5° |
| C68 | C52 | O70 | H521 | 120.0° | 121.0° |
| C68 | C52 | O70 | H522 | 119.7° | 120.2° |
| C68 | C52 | H521 | H522 | 119.8° | 122.5° |
| C68 | C52 | O70 | C55 | 92.4° | 180.0° |
| H681 | C68 | C52 | O70 | 84.6° | 180.0° |
| H681 | C68 | C52 | H521 | 155.4° | 60.8° |
| H681 | C68 | C52 | H522 | 35.1° | 61.2° |
| H682 | C68 | C52 | O70 | 35.5° | 58.0° |
| H682 | C68 | C52 | H521 | 84.4° | 61.2° |
| H682 | C68 | C52 | H522 | 155.3° | 176.8° |
| O70 | C52 | H521 | H522 | 119.8° | 117.8° |
| C52 | O70 | C55 | C58 | 175.9° | 179.0° |
| C52 | O70 | C55 | H551 | 64.1° | 60.0° |
| C52 | O70 | C55 | H552 | 56.0° | 58.7° |
| H521 | C52 | O70 | C55 | 27.5° | 59.0° |
| H522 | C52 | O70 | C55 | 147.8° | 59.8° |
| O70 | C55 | C58 | H551 | 120.0° | 119.1° |
| O70 | C55 | C58 | H552 | 119.9° | 118.8° |
| O70 | C55 | H551 | H552 | 119.9° | 117.8° |
| O70 | C55 | C58 | O71 | 127.3° | 60.8° |
| O70 | C55 | C58 | H581 | 112.7° | 180.0° |
| O70 | C55 | C58 | H582 | 7.3° | 58.0° |
| C58 | C55 | H551 | H552 | 119.9° | 122.5° |
| C55 | C58 | O71 | H581 | 120.0° | 121.0° |
| C55 | C58 | O71 | H582 | 120.0° | 120.3° |
| C55 | C58 | H581 | H582 | 120.0° | 122.4° |
| C55 | C58 | O71 | C61 | 105.8° | 179.1° |
| H551 | C55 | C58 | O71 | 7.3° | 180.0° |
| H551 | C55 | C58 | H581 | 127.3° | 60.8° |
| H551 | C55 | C58 | H582 | 112.7° | 61.1° |
| H552 | C55 | C58 | O71 | 112.9° | 58.0° |
| H552 | C55 | C58 | H581 | 7.1° | 61.2° |
| H552 | C55 | C58 | H582 | 127.2° | 176.8° |
| O71 | C58 | H581 | H582 | 120.0° | 117.8° |
| C58 | O71 | C61 | C62 | 117.2° | 180.0° |
| C58 | O71 | C61 | H611 | 122.7° | 59.2° |
| C58 | O71 | C61 | H612 | 2.9° | 59.2° |
| H581 | C58 | O71 | C61 | 14.2° | 59.9° |
| H582 | C58 | O71 | C61 | 134.3° | 58.8° |
| O71 | C61 | C62 | H611 | 120.0° | 119.3° |
| O71 | C61 | C62 | H612 | 120.1° | 119.4° |
| O71 | C61 | H611 | H612 | 120.2° | 118.1° |
| O71 | C61 | C62 | C63 | 176.4° | 179.3° |
| O71 | C61 | C62 | H621 | 63.5° | 58.4° |
| O71 | C61 | C62 | H622 | 57.4° | 57.0° |
| C62 | C61 | H611 | H612 | 120.1° | 122.3° |
| C61 | C62 | C63 | H621 | 120.0° | 121.7° |
| C61 | C62 | C63 | H622 | 119.1° | 121.7° |
| C61 | C62 | H621 | H622 | 119.1° | 117.6° |
| C61 | C62 | C63 | C66 | 169.1° | 178.2° |
| C61 | C62 | C63 | H631 | 49.1° | 60.1° |
| C61 | C62 | C63 | H632 | 71.4° | 57.1° |
| H611 | C61 | C62 | C63 | 56.4° | 60.0° |
| H611 | C61 | C62 | H621 | 176.4° | 177.7° |
| H611 | C61 | C62 | H622 | 62.7° | 62.3° |
| H612 | C61 | C62 | C63 | 63.4° | 61.3° |
| H612 | C61 | C62 | H621 | 56.6° | 61.0° |
| H612 | C61 | C62 | H622 | 177.5° | 176.4° |
| C63 | C62 | H621 | H622 | 119.1° | 119.3° |
| C62 | C63 | C66 | H631 | 120.0° | 121.4° |
| C62 | C63 | C66 | H632 | 119.6° | 121.2° |
| C62 | C63 | H631 | H632 | 119.6° | 118.7° |
| C62 | C63 | C66 | C67 | 140.8° | 178.7° |
| C62 | C63 | C66 | H661 | 20.9° | 60.0° |
| C62 | C63 | C66 | H662 | 99.9° | 57.6° |
| H621 | C62 | C63 | C66 | 70.9° | 60.0° |
| H621 | C62 | C63 | H631 | 169.1° | 61.6° |
| H621 | C62 | C63 | H632 | 48.6° | 178.8° |
| H622 | C62 | C63 | C66 | 50.0° | 56.5° |
| H622 | C62 | C63 | H631 | 70.0° | 178.2° |
| H622 | C62 | C63 | H632 | 169.5° | 64.7° |
| C66 | C63 | H631 | H632 | 119.5° | 118.9° |
| C63 | C66 | C67 | H661 | 120.0° | 121.7° |
| C63 | C66 | C67 | H662 | 119.3° | 120.8° |
| C63 | C66 | H661 | H662 | 119.3° | 118.3° |
| C63 | C66 | C67 | O72 | 135.4° | 179.2° |
| C63 | C66 | C67 | H671 | 104.7° | 60.0° |
| C63 | C66 | C67 | H672 | 15.4° | 60.3° |
| H631 | C63 | C66 | C67 | 99.2° | 57.3° |
| H631 | C63 | C66 | H661 | 140.9° | 178.7° |
| H631 | C63 | C66 | H662 | 20.1° | 63.8° |
| H632 | C63 | C66 | C67 | 21.3° | 60.2° |
| H632 | C63 | C66 | H661 | 98.7° | 61.2° |
| H632 | C63 | C66 | H662 | 140.6° | 178.8° |
| C67 | C66 | H661 | H662 | 119.3° | 118.4° |
| C66 | C67 | O72 | H671 | 120.0° | 120.3° |
| C66 | C67 | O72 | H672 | 119.9° | 121.8° |
| C66 | C67 | H671 | H672 | 120.0° | 121.7° |
| C66 | C67 | O72 | C65 | 103.0° | 180.0° |
| H661 | C66 | C67 | O72 | 15.4° | 57.5° |
| H661 | C66 | C67 | H671 | 135.3° | 61.8° |
| H661 | C66 | C67 | H672 | 104.6° | 177.9° |
| H662 | C66 | C67 | O72 | 105.3° | 59.9° |
| H662 | C66 | C67 | H671 | 14.6° | 179.2° |
| H662 | C66 | C67 | H672 | 134.7° | 60.5° |
| O72 | C67 | H671 | H672 | 119.9° | 118.1° |
| C67 | O72 | C65 | C64 | 45.1° | 179.1° |
| C67 | O72 | C65 | H651 | 165.2° | 60.0° |
| C67 | O72 | C65 | H652 | 74.7° | 58.9° |
| H671 | C67 | O72 | C65 | 17.0° | 59.7° |
| H672 | C67 | O72 | C65 | 137.1° | 58.3° |
| O72 | C65 | C64 | H651 | 120.0° | 119.1° |
| O72 | C65 | C64 | H652 | 119.9° | 118.8° |
| O72 | C65 | H651 | H652 | 119.9° | 117.9° |
| O72 | C65 | C64 | O73 | 178.2° | 59.2° |
| O72 | C65 | C64 | H641 | 61.8° | 60.0° |
| O72 | C65 | C64 | H642 | 58.0° | 178.0° |
| C64 | C65 | H651 | H652 | 119.9° | 122.5° |
| C65 | C64 | O73 | H641 | 120.0° | 121.0° |
| C65 | C64 | O73 | H642 | 120.2° | 120.2° |
| C65 | C64 | H641 | H642 | 120.1° | 122.4° |
| C65 | C64 | O73 | C60 | 171.2° | 180.0° |
| H651 | C65 | C64 | O73 | 58.2° | 60.0° |
| H651 | C65 | C64 | H641 | 178.2° | 179.1° |
| H651 | C65 | C64 | H642 | 62.0° | 58.9° |
| H652 | C65 | C64 | O73 | 61.9° | 178.0° |
| H652 | C65 | C64 | H641 | 58.1° | 58.8° |
| H652 | C65 | C64 | H642 | 177.9° | 63.2° |
| O73 | C64 | H641 | H642 | 120.2° | 117.9° |
| C64 | O73 | C60 | C59 | 166.6° | 179.0° |
| C64 | O73 | C60 | H601 | 73.4° | 60.0° |
| C64 | O73 | C60 | H602 | 46.5° | 58.7° |
| H641 | C64 | O73 | C60 | 68.8° | 59.0° |
| H642 | C64 | O73 | C60 | 51.1° | 59.8° |
| O73 | C60 | C59 | H601 | 120.0° | 119.1° |
| O73 | C60 | C59 | H602 | 120.1° | 118.8° |
| O73 | C60 | H601 | H602 | 120.1° | 117.8° |
| O73 | C60 | C59 | O74 | 106.8° | 59.1° |
| O73 | C60 | C59 | H591 | 13.2° | 60.1° |
| O73 | C60 | C59 | H592 | 133.3° | 178.0° |
| C59 | C60 | H601 | H602 | 120.1° | 122.6° |
| C60 | C59 | O74 | H591 | 120.0° | 121.0° |
| C60 | C59 | O74 | H592 | 119.8° | 120.2° |
| C60 | C59 | H591 | H592 | 119.8° | 122.4° |
| C60 | C59 | O74 | C57 | 79.6° | 180.0° |
| H601 | C60 | C59 | O74 | 133.2° | 59.9° |
| H601 | C60 | C59 | H591 | 106.8° | 179.1° |
| H601 | C60 | C59 | H592 | 13.3° | 58.9° |
| H602 | C60 | C59 | O74 | 13.3° | 178.0° |
| H602 | C60 | C59 | H591 | 133.3° | 58.8° |
| H602 | C60 | C59 | H592 | 106.5° | 63.2° |
| O74 | C59 | H591 | H592 | 119.8° | 117.9° |
| C59 | O74 | C57 | C56 | 106.6° | 180.0° |
| C59 | O74 | C57 | H571 | 13.4° | 59.0° |
| C59 | O74 | C57 | H572 | 133.4° | 59.7° |
| H591 | C59 | O74 | C57 | 160.4° | 59.0° |
| H592 | C59 | O74 | C57 | 40.2° | 59.8° |
| O74 | C57 | C56 | H571 | 120.0° | 119.2° |
| O74 | C57 | C56 | H572 | 120.0° | 118.9° |
| O74 | C57 | H571 | H572 | 120.0° | 117.9° |
| O74 | C57 | C56 | O75 | 117.3° | 60.8° |
| O74 | C57 | C56 | H561 | 122.7° | 180.0° |
| O74 | C57 | C56 | H562 | 2.5° | 58.0° |
| C56 | C57 | H571 | H572 | 120.1° | 122.4° |
| C57 | C56 | O75 | H561 | 120.0° | 121.0° |
| C57 | C56 | O75 | H562 | 119.8° | 120.2° |
| C57 | C56 | H561 | H562 | 119.7° | 122.5° |
| C57 | C56 | O75 | C54 | 157.4° | 179.0° |
| H571 | C57 | C56 | O75 | 2.7° | 180.0° |
| H571 | C57 | C56 | H561 | 117.3° | 60.9° |
| H571 | C57 | C56 | H562 | 122.5° | 61.2° |
| H572 | C57 | C56 | O75 | 122.7° | 58.1° |
| H572 | C57 | C56 | H561 | 2.7° | 61.1° |
| H572 | C57 | C56 | H562 | 117.5° | 176.9° |
| O75 | C56 | H561 | H562 | 119.8° | 117.8° |
| C56 | O75 | C54 | C53 | 126.0° | 180.0° |
| C56 | O75 | C54 | H541 | 6.0° | 59.1° |
| C56 | O75 | C54 | H542 | 114.1° | 59.7° |
| H561 | C56 | O75 | C54 | 82.6° | 60.0° |
| H562 | C56 | O75 | C54 | 37.6° | 58.8° |
| O75 | C54 | C53 | H541 | 120.0° | 119.1° |
| O75 | C54 | C53 | H542 | 119.9° | 118.9° |
| O75 | C54 | H541 | H542 | 119.9° | 117.9° |
| O75 | C54 | C53 | O76 | 176.6° | 59.1° |
| O75 | C54 | C53 | H531 | 56.6° | 60.1° |
| O75 | C54 | C53 | H532 | 63.2° | 178.0° |
| C53 | C54 | H541 | H542 | 119.9° | 122.4° |
| C54 | C53 | O76 | H531 | 120.0° | 121.0° |
| C54 | C53 | O76 | H532 | 120.2° | 120.3° |
| C54 | C53 | H531 | H532 | 120.2° | 122.4° |
| C54 | C53 | O76 | C51 | 169.6° | 179.0° |
| H541 | C54 | C53 | O76 | 63.4° | 60.0° |
| H541 | C54 | C53 | H531 | 176.6° | 179.2° |
| H541 | C54 | C53 | H532 | 56.8° | 58.9° |
| H542 | C54 | C53 | O76 | 56.7° | 178.0° |
| H542 | C54 | C53 | H531 | 63.3° | 58.9° |
| H542 | C54 | C53 | H532 | 176.9° | 63.1° |
| O76 | C53 | H531 | H532 | 120.2° | 117.9° |
| C53 | O76 | C51 | C50 | 148.0° | 180.0° |
| C53 | O76 | C51 | H511 | 28.0° | 59.8° |
| C53 | O76 | C51 | H512 | 92.0° | 58.3° |
| H531 | C53 | O76 | C51 | 70.4° | 60.0° |
| H532 | C53 | O76 | C51 | 49.4° | 58.7° |
| O76 | C51 | C50 | H511 | 120.0° | 119.1° |
| O76 | C51 | C50 | H512 | 120.0° | 120.4° |
| O76 | C51 | H511 | H512 | 120.1° | 118.0° |
| O76 | C51 | C50 | C49 | 149.5° | 179.2° |
| O76 | C51 | C50 | H501 | 90.5° | 60.0° |
| O76 | C51 | C50 | H502 | 30.0° | 57.5° |
| C50 | C51 | H511 | H512 | 120.0° | 121.8° |
| C51 | C50 | C49 | H501 | 120.0° | 121.1° |
| C51 | C50 | C49 | H502 | 119.5° | 121.3° |
| C51 | C50 | H501 | H502 | 119.5° | 118.3° |
| C51 | C50 | C49 | C48 | 130.0° | 178.9° |
| C51 | C50 | C49 | H491 | 110.0° | 57.7° |
| C51 | C50 | C49 | H492 | 10.7° | 59.5° |
| H511 | C51 | C50 | C49 | 29.5° | 60.0° |
| H511 | C51 | C50 | H501 | 149.5° | 179.1° |
| H511 | C51 | C50 | H502 | 90.0° | 61.6° |
| H512 | C51 | C50 | C49 | 90.5° | 60.4° |
| H512 | C51 | C50 | H501 | 29.5° | 60.4° |
| H512 | C51 | C50 | H502 | 150.0° | 177.9° |
| C49 | C50 | H501 | H502 | 119.5° | 118.8° |
| C50 | C49 | C48 | H491 | 120.0° | 121.2° |
| C50 | C49 | C48 | H492 | 119.4° | 121.3° |
| C50 | C49 | H491 | H492 | 119.4° | 118.6° |
| C50 | C49 | C48 | C47 | 129.5° | 178.9° |
| C50 | C49 | C48 | H481 | 9.5° | 60.6° |
| C50 | C49 | C48 | H482 | 111.3° | 55.9° |
| H501 | C50 | C49 | C48 | 10.0° | 60.0° |
| H501 | C50 | C49 | H491 | 130.0° | 178.9° |
| H501 | C50 | C49 | H492 | 109.3° | 61.6° |
| H502 | C50 | C49 | C48 | 110.5° | 57.6° |
| H502 | C50 | C49 | H491 | 9.5° | 63.6° |
| H502 | C50 | C49 | H492 | 130.1° | 179.2° |
| C48 | C49 | H491 | H492 | 119.4° | 119.2° |
| C49 | C48 | C47 | H481 | 120.0° | 121.0° |
| C49 | C48 | C47 | H482 | 119.2° | 123.0° |
| C49 | C48 | H481 | H482 | 119.3° | 118.4° |
| C49 | C48 | C47 | C46 | 157.4° | 179.0° |
| C49 | C48 | C47 | H471 | 37.4° | 60.0° |
| C49 | C48 | C47 | H472 | 83.3° | 55.9° |
| H491 | C49 | C48 | C47 | 110.5° | 60.0° |
| H491 | C49 | C48 | H481 | 129.5° | 60.5° |
| H491 | C49 | C48 | H482 | 8.8° | 177.0° |
| H492 | C49 | C48 | C47 | 10.1° | 57.6° |
| H492 | C49 | C48 | H481 | 109.9° | 178.1° |
| H492 | C49 | C48 | H482 | 129.4° | 65.4° |
| C47 | C48 | H481 | H482 | 119.3° | 117.9° |
| C48 | C47 | C46 | H471 | 120.0° | 120.5° |
| C48 | C47 | C46 | H472 | 119.3° | 122.4° |
| C48 | C47 | H471 | H472 | 119.3° | 117.3° |
| C48 | C47 | C46 | C45 | 100.2° | 179.5° |
| C48 | C47 | C46 | H461 | 19.8° | 56.2° |
| C48 | C47 | C46 | H462 | 140.6° | 60.2° |
| H481 | C48 | C47 | C46 | 82.6° | 60.0° |
| H481 | C48 | C47 | H471 | 157.4° | 61.0° |
| H481 | C48 | C47 | H472 | 36.7° | 176.9° |
| H482 | C48 | C47 | C46 | 38.2° | 56.0° |
| H482 | C48 | C47 | H471 | 81.9° | 177.0° |
| H482 | C48 | C47 | H472 | 157.4° | 67.1° |
| C46 | C47 | H471 | H472 | 119.3° | 119.1° |
| C47 | C46 | C45 | H461 | 120.0° | 123.7° |
| C47 | C46 | C45 | H462 | 119.3° | 120.9° |
| C47 | C46 | H461 | H462 | 119.3° | 118.1° |
| C47 | C46 | C45 | C44 | 149.7° | 63.8° |
| C47 | C46 | C45 | H451 | 90.3° | 173.6° |
| C47 | C46 | C45 | H452 | 30.4° | 58.5° |
| H471 | C47 | C46 | C45 | 139.8° | 60.0° |
| H471 | C47 | C46 | H461 | 100.2° | 176.7° |
| H471 | C47 | C46 | H462 | 20.6° | 60.3° |
| H472 | C47 | C46 | C45 | 19.1° | 57.0° |
| H472 | C47 | C46 | H461 | 139.1° | 66.3° |
| H472 | C47 | C46 | H462 | 100.2° | 177.3° |
| C45 | C46 | H461 | H462 | 119.3° | 116.5° |
| C46 | C45 | C44 | H451 | 120.0° | 122.4° |
| C46 | C45 | C44 | H452 | 119.3° | 122.6° |
| C46 | C45 | H451 | H452 | 119.3° | 116.7° |
| C46 | C45 | C44 | C43 | 163.4° | 62.4° |
| C46 | C45 | C44 | H441 | 76.6° | 61.1° |
| C46 | C45 | C44 | H442 | 44.1° | 176.4° |
| H461 | C46 | C45 | C44 | 29.7° | 59.9° |
| H461 | C46 | C45 | H451 | 149.7° | 62.7° |
| H461 | C46 | C45 | H452 | 89.6° | 177.8° |
| H462 | C46 | C45 | C44 | 91.0° | 175.4° |
| H462 | C46 | C45 | H451 | 29.0° | 52.7° |
| H462 | C46 | C45 | H452 | 149.6° | 62.3° |
| C44 | C45 | H451 | H452 | 119.3° | 116.4° |
| C45 | C44 | C43 | H441 | 120.0° | 123.6° |
| C45 | C44 | C43 | H442 | 119.3° | 120.0° |
| C45 | C44 | H441 | H442 | 119.3° | 116.0° |
| C45 | C44 | C43 | C42 | 160.5° | 176.4° |
| C45 | C44 | C43 | H431 | 40.5° | 63.7° |
| C45 | C44 | C43 | H432 | 80.2° | 53.4° |
| H451 | C45 | C44 | C43 | 43.4° | 60.0° |
| H451 | C45 | C44 | H441 | 163.4° | 176.5° |
| H451 | C45 | C44 | H442 | 75.9° | 61.2° |
| H452 | C45 | C44 | C43 | 77.3° | 175.0° |
| H452 | C45 | C44 | H441 | 42.7° | 61.5° |
| H452 | C45 | C44 | H442 | 163.4° | 53.8° |
| C43 | C44 | H441 | H442 | 119.3° | 118.5° |
| C44 | C43 | C42 | H431 | 120.0° | 121.1° |
| C44 | C43 | C42 | H432 | 119.3° | 123.1° |
| C44 | C43 | H431 | H432 | 119.3° | 118.9° |
| C44 | C43 | C42 | C41 | 99.7° | 178.9° |
| C44 | C43 | C42 | H421 | 140.4° | 55.7° |
| C44 | C43 | C42 | H422 | 19.6° | 60.2° |
| H441 | C44 | C43 | C42 | 79.5° | 60.0° |
| H441 | C44 | C43 | H431 | 160.5° | 59.9° |
| H441 | C44 | C43 | H432 | 39.8° | 176.9° |
| H442 | C44 | C43 | C42 | 41.2° | 56.5° |
| H442 | C44 | C43 | H431 | 78.8° | 176.4° |
| H442 | C44 | C43 | H432 | 160.5° | 66.6° |
| C42 | C43 | H431 | H432 | 119.4° | 117.6° |
| C43 | C42 | C41 | H421 | 120.0° | 123.1° |
| C43 | C42 | C41 | H422 | 119.3° | 120.4° |
| C43 | C42 | H421 | H422 | 119.3° | 116.8° |
| C43 | C42 | C41 | C40 | 129.4° | 176.9° |
| C43 | C42 | C41 | H411 | 110.6° | 62.4° |
| C43 | C42 | C41 | H412 | 10.2° | 55.9° |
| H431 | C43 | C42 | C41 | 20.3° | 60.0° |
| H431 | C43 | C42 | H421 | 99.6° | 176.8° |
| H431 | C43 | C42 | H422 | 139.6° | 60.9° |
| H432 | C43 | C42 | C41 | 141.0° | 55.8° |
| H432 | C43 | C42 | H421 | 21.0° | 67.4° |
| H432 | C43 | C42 | H422 | 99.7° | 176.7° |
| C41 | C42 | H421 | H422 | 119.2° | 117.9° |
| C42 | C41 | C40 | H411 | 120.0° | 121.8° |
| C42 | C41 | C40 | H412 | 119.3° | 121.5° |
| C42 | C41 | H411 | H412 | 119.3° | 119.8° |
| C42 | C41 | C40 | H401 | 25.2° | 60.5° |
| C42 | C41 | C40 | H402 | 145.2° | 179.8° |
| C42 | C41 | C40 | H403 | 94.8° | 60.1° |
| H421 | C42 | C41 | C40 | 9.4° | 60.0° |
| H421 | C42 | C41 | H411 | 129.4° | 60.7° |
| H421 | C42 | C41 | H412 | 109.8° | 179.0° |
| H422 | C42 | C41 | C40 | 111.3° | 56.5° |
| H422 | C42 | C41 | H411 | 8.7° | 177.2° |
| H422 | C42 | C41 | H412 | 129.4° | 64.5° |
| C40 | C41 | H411 | H412 | 119.3° | 117.9° |
| C41 | C40 | H401 | H402 | 120.0° | 121.0° |
| C41 | C40 | H401 | H403 | 120.0° | 122.2° |
| C41 | C40 | H402 | H403 | 119.9° | 121.5° |
| H411 | C41 | C40 | H401 | 145.2° | 177.7° |
| H411 | C41 | C40 | H402 | 94.8° | 58.0° |
| H411 | C41 | C40 | H403 | 25.2° | 61.7° |
| H412 | C41 | C40 | H401 | 94.0° | 61.0° |
| H412 | C41 | C40 | H402 | 26.0° | 58.7° |
| H412 | C41 | C40 | H403 | 146.0° | 178.4° |
| H401 | C40 | H402 | H403 | 120.0° | 117.0° |
