WRK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CMB | C2B | sing | 1.51Å | 1.50Å | |
| CBB | CAB | doub | 1.31Å | 1.32Å | |
| C2B | C3B | doub | 1.41Å | 1.37Å | |
| C2B | C1B | sing | 1.39Å | 1.46Å | |
| CAB | C3B | sing | 1.49Å | 1.46Å | |
| CMA | C3A | sing | 1.51Å | 1.50Å | |
| C3B | C4B | sing | 1.40Å | 1.43Å | |
| O2A | CGA | doub | 1.22Å | 1.22Å | |
| CHB | C1B | sing | 1.40Å | 1.37Å | |
| CHB | C4A | doub | 1.40Å | 1.36Å | |
| C1B | NB | doub | 1.36Å | 1.38Å | |
| C3A | C4A | sing | 1.38Å | 1.42Å | |
| C3A | C2A | doub | 1.36Å | 1.40Å | |
| C4A | NA | sing | 1.36Å | 1.40Å | |
| CBA | CGA | sing | 1.51Å | 1.51Å | |
| CBA | CAA | sing | 1.53Å | 1.54Å | |
| CGA | O1A | sing | 1.33Å | 1.30Å | |
| C4B | NB | sing | 1.39Å | 1.35Å | |
| C4B | CHC | doub | 1.41Å | 1.41Å | |
| NB | FE | sing | 1.78Å | 2.03Å | |
| C2A | CAA | sing | 1.51Å | 1.51Å | |
| C2A | C1A | sing | 1.38Å | 1.44Å | |
| CHC | C1C | sing | 1.40Å | 1.39Å | |
| NA | FE | sing | 2.10Å | 2.13Å | |
| NA | C1A | sing | 1.40Å | 1.37Å | |
| FE | NC | sing | 2.10Å | 2.08Å | |
| C1A | CHA | doub | 1.42Å | 1.40Å | |
| C1C | NC | sing | 1.36Å | 1.38Å | Aromatic |
| C1C | C2C | doub | 1.39Å | 1.45Å | Aromatic |
| NC | C4C | sing | 1.42Å | 1.36Å | Aromatic |
| CHA | C4D | sing | 1.37Å | 1.33Å | |
| CMC | C2C | sing | 1.51Å | 1.50Å | |
| C2C | C3C | sing | 1.41Å | 1.39Å | Aromatic |
| O2D | CGD | doub | 1.22Å | 1.31Å | |
| CBD | CGD | sing | 1.51Å | 1.50Å | |
| CBD | CAD | sing | 1.53Å | 1.52Å | |
| C4D | ND | doub | 1.39Å | 1.37Å | |
| C4D | C3D | sing | 1.45Å | 1.45Å | |
| CGD | O1D | sing | 1.32Å | 1.21Å | |
| ND | C40 | sing | 1.47Å | 1.45Å | |
| ND | C1D | sing | 1.39Å | 1.38Å | |
| C4C | C3C | doub | 1.39Å | 1.43Å | Aromatic |
| C4C | CHD | sing | 1.43Å | 1.42Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C3C | CAC | sing | 1.50Å | 1.47Å | |
| C46 | C45 | doub | 1.39Å | 1.38Å | Aromatic |
| C46 | C47 | sing | 1.37Å | 1.38Å | Aromatic |
| C3D | CAD | sing | 1.51Å | 1.51Å | |
| C3D | C2D | doub | 1.36Å | 1.38Å | |
| C1D | CHD | doub | 1.37Å | 1.33Å | |
| C1D | C2D | sing | 1.44Å | 1.48Å | |
| C45 | C44 | sing | 1.39Å | 1.39Å | Aromatic |
| C2D | CMD | sing | 1.51Å | 1.50Å | |
| C47 | C48 | doub | 1.37Å | 1.37Å | Aromatic |
| CAC | CBC | doub | 1.32Å | 1.31Å | |
| C41 | C43 | sing | 1.53Å | 1.51Å | |
| C41 | O1 | doub | 1.21Å | 1.21Å | |
| C44 | C43 | sing | 1.52Å | 1.51Å | |
| C44 | C49 | doub | 1.39Å | 1.39Å | Aromatic |
| C48 | C49 | sing | 1.39Å | 1.39Å | Aromatic |
| CHA | H1 | sing | 0.95Å | 1.08Å | |
| CHB | H2 | sing | 0.94Å | 1.08Å | |
| CHC | H3 | sing | 0.94Å | 1.08Å | |
| CHD | H4 | sing | 0.95Å | 1.08Å | |
| CMA | H5 | sing | 0.97Å | 1.10Å | |
| CMA | H6 | sing | 0.97Å | 1.10Å | |
| CMA | H7 | sing | 0.97Å | 1.10Å | |
| CAA | H8 | sing | 0.98Å | 1.10Å | |
| CAA | H9 | sing | 0.98Å | 1.10Å | |
| CBA | H10 | sing | 0.98Å | 1.10Å | |
| CBA | H11 | sing | 0.99Å | 1.10Å | |
| O1A | H12 | sing | 0.88Å | 0.95Å | |
| CMB | H13 | sing | 0.97Å | 1.10Å | |
| CMB | H14 | sing | 0.97Å | 1.10Å | |
| CMB | H15 | sing | 0.97Å | 1.10Å | |
| CAB | H16 | sing | 0.94Å | 1.08Å | |
| CBB | H17 | sing | 0.94Å | 1.08Å | |
| CBB | H18 | sing | 0.94Å | 1.08Å | |
| CMC | H19 | sing | 0.97Å | 1.10Å | |
| CMC | H20 | sing | 0.97Å | 1.10Å | |
| CMC | H21 | sing | 0.97Å | 1.10Å | |
| CAC | H22 | sing | 0.94Å | 1.08Å | |
| CBC | H23 | sing | 0.94Å | 1.08Å | |
| CBC | H24 | sing | 0.94Å | 1.08Å | |
| CMD | H25 | sing | 0.97Å | 1.10Å | |
| CMD | H26 | sing | 0.97Å | 1.10Å | |
| CMD | H27 | sing | 0.97Å | 1.10Å | |
| CAD | H28 | sing | 0.98Å | 1.10Å | |
| CAD | H29 | sing | 0.98Å | 1.10Å | |
| CBD | H30 | sing | 0.99Å | 1.10Å | |
| CBD | H31 | sing | 0.98Å | 1.10Å | |
| O1D | H32 | sing | 0.88Å | 0.95Å | |
| C40 | H33 | sing | 0.97Å | 1.10Å | |
| C40 | H34 | sing | 0.97Å | 1.10Å | |
| C43 | H35 | sing | 0.98Å | 1.10Å | |
| C43 | H36 | sing | 0.98Å | 1.10Å | |
| C45 | H37 | sing | 0.94Å | 1.08Å | |
| C46 | H38 | sing | 0.94Å | 1.08Å | |
| C47 | H39 | sing | 0.94Å | 1.08Å | |
| C48 | H40 | sing | 0.94Å | 1.08Å | |
| C49 | H41 | sing | 0.94Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CMB | C2B | C3B | 129.6° | 125.1° |
| CMB | C2B | C1B | 125.5° | 126.9° |
| C2B | CMB | H13 | 109.5° | 110.3° |
| C2B | CMB | H14 | 109.4° | 109.9° |
| C2B | CMB | H15 | 109.5° | 109.6° |
| CBB | CAB | C3B | 126.0° | 134.1° |
| CBB | CAB | H16 | 117.0° | 110.6° |
| CAB | CBB | H17 | 120.0° | 119.7° |
| CAB | CBB | H18 | 120.0° | 120.5° |
| C3B | C2B | C1B | 104.9° | 108.0° |
| C2B | C3B | CAB | 128.3° | 123.6° |
| C2B | C3B | C4B | 107.6° | 104.8° |
| C2B | C1B | CHB | 126.5° | 127.3° |
| C2B | C1B | NB | 110.5° | 110.0° |
| CAB | C3B | C4B | 124.1° | 131.7° |
| C3B | CAB | H16 | 117.0° | 115.3° |
| CMA | C3A | C4A | 126.3° | 127.0° |
| CMA | C3A | C2A | 126.8° | 125.1° |
| C3A | CMA | H5 | 109.5° | 110.0° |
| C3A | CMA | H6 | 109.5° | 110.3° |
| C3A | CMA | H7 | 109.4° | 109.5° |
| C3B | C4B | NB | 111.0° | 110.8° |
| C3B | C4B | CHC | 124.6° | 128.7° |
| O2A | CGA | CBA | 123.3° | 122.6° |
| O2A | CGA | O1A | 123.0° | 121.7° |
| C1B | CHB | C4A | 132.8° | 129.7° |
| CHB | C1B | NB | 122.9° | 122.8° |
| C1B | CHB | H2 | 113.6° | 115.3° |
| CHB | C4A | C3A | 128.6° | 127.5° |
| CHB | C4A | NA | 121.7° | 122.3° |
| C4A | CHB | H2 | 113.6° | 114.9° |
| C1B | NB | C4B | 106.0° | 106.4° |
| C1B | NB | FE | 124.8° | 126.9° |
| C4A | C3A | C2A | 106.9° | 107.9° |
| C3A | C4A | NA | 109.6° | 110.2° |
| C3A | C2A | CAA | 127.3° | 126.8° |
| C3A | C2A | C1A | 107.2° | 107.3° |
| C4A | NA | FE | 123.1° | 119.1° |
| C4A | NA | C1A | 107.3° | 105.2° |
| CGA | CBA | CAA | 113.9° | 113.9° |
| CBA | CGA | O1A | 113.6° | 115.7° |
| CGA | CBA | H10 | 108.4° | 108.2° |
| CGA | CBA | H11 | 108.4° | 109.2° |
| CBA | CAA | C2A | 112.5° | 113.5° |
| CBA | CAA | H8 | 108.7° | 108.8° |
| CBA | CAA | H9 | 108.7° | 108.6° |
| CAA | CBA | H10 | 108.4° | 108.8° |
| CAA | CBA | H11 | 108.4° | 109.0° |
| CGA | O1A | H12 | 109.5° | 117.0° |
| NB | C4B | CHC | 124.3° | 120.5° |
| C4B | NB | FE | 127.3° | 125.8° |
| C4B | CHC | C1C | 125.7° | 131.4° |
| C4B | CHC | H3 | 117.1° | 113.4° |
| NB | FE | NA | 89.4° | 96.7° |
| NB | FE | NC | 88.5° | 98.7° |
| CAA | C2A | C1A | 125.4° | 125.9° |
| C2A | CAA | H8 | 108.7° | 110.0° |
| C2A | CAA | H9 | 108.7° | 109.5° |
| C2A | C1A | NA | 109.0° | 109.3° |
| C2A | C1A | CHA | 126.2° | 125.6° |
| CHC | C1C | NC | 125.5° | 123.3° |
| CHC | C1C | C2C | 124.3° | 126.3° |
| C1C | CHC | H3 | 117.2° | 114.8° |
| FE | NA | C1A | 127.0° | 135.4° |
| NA | FE | NC | 152.8° | 154.9° |
| NA | C1A | CHA | 124.6° | 124.9° |
| FE | NC | C1C | 124.6° | 117.0° |
| FE | NC | C4C | 128.4° | 137.5° |
| C1A | CHA | C4D | 127.5° | 121.0° |
| C1A | CHA | H1 | 116.2° | 122.1° |
| NC | C1C | C2C | 110.2° | 110.3° |
| C1C | NC | C4C | 106.4° | 105.3° |
| C1C | C2C | CMC | 125.3° | 127.0° |
| C1C | C2C | C3C | 105.1° | 108.6° |
| NC | C4C | C3C | 110.7° | 110.9° |
| NC | C4C | CHD | 125.3° | 122.4° |
| CHA | C4D | ND | 131.3° | 127.5° |
| CHA | C4D | C3D | 124.1° | 121.2° |
| C4D | CHA | H1 | 116.2° | 117.0° |
| CMC | C2C | C3C | 129.7° | 124.4° |
| C2C | CMC | H19 | 109.5° | 109.9° |
| C2C | CMC | H20 | 109.5° | 110.6° |
| C2C | CMC | H21 | 109.5° | 109.5° |
| C2C | C3C | C4C | 107.6° | 104.8° |
| C2C | C3C | CAC | 129.6° | 123.5° |
| O2D | CGD | CBD | 113.7° | 122.6° |
| O2D | CGD | O1D | 123.2° | 121.7° |
| CGD | CBD | CAD | 113.4° | 114.0° |
| CBD | CGD | O1D | 123.1° | 115.7° |
| CGD | CBD | H30 | 108.5° | 108.2° |
| CGD | CBD | H31 | 108.5° | 109.1° |
| CBD | CAD | C3D | 113.5° | 113.8° |
| CBD | CAD | H28 | 108.5° | 108.6° |
| CBD | CAD | H29 | 108.5° | 108.8° |
| CAD | CBD | H30 | 108.5° | 108.8° |
| CAD | CBD | H31 | 108.5° | 109.0° |
| ND | C4D | C3D | 104.2° | 109.0° |
| C4D | ND | C40 | 118.1° | 126.7° |
| C4D | ND | C1D | 115.0° | 105.6° |
| C4D | C3D | CAD | 125.1° | 125.1° |
| C4D | C3D | C2D | 108.8° | 107.2° |
| CGD | O1D | H32 | 109.5° | 117.1° |
| C40 | ND | C1D | 118.5° | 125.5° |
| ND | C40 | C41 | 112.2° | 113.8° |
| ND | C40 | H33 | 108.8° | 109.7° |
| ND | C40 | H34 | 108.8° | 109.0° |
| ND | C1D | CHD | 130.1° | 127.6° |
| ND | C1D | C2D | 102.4° | 109.3° |
| C3C | C4C | CHD | 124.0° | 126.6° |
| C4C | C3C | CAC | 122.8° | 131.7° |
| C4C | CHD | C1D | 126.3° | 121.7° |
| C4C | CHD | H4 | 116.9° | 121.6° |
| C40 | C41 | C43 | 116.5° | 120.0° |
| C40 | C41 | O1 | 122.4° | 120.2° |
| C41 | C40 | H33 | 108.8° | 108.0° |
| C41 | C40 | H34 | 108.8° | 109.1° |
| C3C | CAC | CBC | 129.1° | 134.9° |
| C3C | CAC | H22 | 115.5° | 115.2° |
| C45 | C46 | C47 | 120.3° | 120.3° |
| C46 | C45 | C44 | 120.7° | 120.8° |
| C46 | C45 | H37 | 119.7° | 119.7° |
| C45 | C46 | H38 | 119.8° | 119.8° |
| C46 | C47 | C48 | 119.7° | 119.8° |
| C47 | C46 | H38 | 119.8° | 120.0° |
| C46 | C47 | H39 | 120.2° | 120.2° |
| CAD | C3D | C2D | 126.1° | 127.6° |
| C3D | CAD | H28 | 108.5° | 109.5° |
| C3D | CAD | H29 | 108.5° | 109.6° |
| C3D | C2D | C1D | 108.5° | 107.3° |
| C3D | C2D | CMD | 126.5° | 127.9° |
| CHD | C1D | C2D | 127.5° | 120.8° |
| C1D | CHD | H4 | 116.8° | 116.6° |
| C1D | C2D | CMD | 124.8° | 124.8° |
| C45 | C44 | C43 | 120.7° | 120.8° |
| C45 | C44 | C49 | 118.3° | 118.1° |
| C44 | C45 | H37 | 119.7° | 119.5° |
| C2D | CMD | H25 | 109.5° | 110.0° |
| C2D | CMD | H26 | 109.5° | 110.2° |
| C2D | CMD | H27 | 109.5° | 109.5° |
| C47 | C48 | C49 | 120.2° | 120.2° |
| C48 | C47 | H39 | 120.1° | 120.1° |
| C47 | C48 | H40 | 119.9° | 119.9° |
| CBC | CAC | H22 | 115.5° | 109.9° |
| CAC | CBC | H23 | 120.0° | 119.6° |
| CAC | CBC | H24 | 120.0° | 120.6° |
| C43 | C41 | O1 | 121.1° | 119.7° |
| C41 | C43 | C44 | 108.9° | 116.5° |
| C41 | C43 | H35 | 109.6° | 107.9° |
| C41 | C43 | H36 | 109.6° | 108.0° |
| C43 | C44 | C49 | 120.8° | 121.1° |
| C44 | C43 | H35 | 109.6° | 109.0° |
| C44 | C43 | H36 | 109.6° | 108.5° |
| C44 | C49 | C48 | 120.7° | 120.9° |
| C44 | C49 | H41 | 119.6° | 119.5° |
| C49 | C48 | H40 | 119.9° | 119.9° |
| C48 | C49 | H41 | 119.6° | 119.6° |
| H5 | CMA | H6 | 109.5° | 108.5° |
| H5 | CMA | H7 | 109.4° | 109.3° |
| H6 | CMA | H7 | 109.5° | 109.2° |
| H8 | CAA | H9 | 109.5° | 106.2° |
| H10 | CBA | H11 | 109.5° | 107.5° |
| H13 | CMB | H14 | 109.5° | 108.5° |
| H13 | CMB | H15 | 109.5° | 109.3° |
| H14 | CMB | H15 | 109.4° | 109.3° |
| H17 | CBB | H18 | 120.0° | 119.8° |
| H19 | CMC | H20 | 109.5° | 108.5° |
| H19 | CMC | H21 | 109.5° | 109.2° |
| H20 | CMC | H21 | 109.5° | 109.2° |
| H23 | CBC | H24 | 120.0° | 119.8° |
| H25 | CMD | H26 | 109.5° | 108.6° |
| H25 | CMD | H27 | 109.4° | 109.3° |
| H26 | CMD | H27 | 109.5° | 109.2° |
| H28 | CAD | H29 | 109.4° | 106.2° |
| H30 | CBD | H31 | 109.5° | 107.5° |
| H33 | C40 | H34 | 109.5° | 107.0° |
| H35 | C43 | H36 | 109.4° | 106.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CMB | C2B | C3B | C1B | 177.9° | 178.5° |
| CMB | C2B | C3B | CAB | 2.0° | 1.6° |
| CMB | C2B | C3B | C4B | 177.6° | 179.1° |
| CMB | C2B | C1B | CHB | 5.6° | 1.4° |
| CMB | C2B | C1B | NB | 177.9° | 180.0° |
| C2B | CMB | H13 | H14 | 120.0° | 120.3° |
| C2B | CMB | H13 | H15 | 120.0° | 120.6° |
| C2B | CMB | H14 | H15 | 120.0° | 120.3° |
| CBB | CAB | C3B | C2B | 38.4° | 171.6° |
| CBB | CAB | C3B | H16 | 180.0° | 178.5° |
| CBB | CAB | C3B | C4B | 142.1° | 9.3° |
| CAB | CBB | H17 | H18 | 179.9° | 178.3° |
| C2B | C3B | CAB | C4B | 179.5° | 179.1° |
| C3B | C2B | C1B | CHB | 176.4° | 179.9° |
| C3B | C2B | C1B | NB | 0.1° | 1.5° |
| C2B | C3B | C4B | NB | 0.4° | 0.4° |
| C2B | C3B | C4B | CHC | 179.8° | 179.0° |
| C3B | C2B | CMB | H13 | 180.0° | 157.7° |
| C3B | C2B | CMB | H14 | 60.0° | 38.2° |
| C3B | C2B | CMB | H15 | 60.0° | 81.9° |
| C2B | C3B | CAB | H16 | 141.6° | 9.9° |
| C1B | C2B | C3B | CAB | 179.9° | 180.0° |
| C1B | C2B | C3B | C4B | 0.3° | 0.7° |
| C2B | C1B | CHB | NB | 176.1° | 178.5° |
| C2B | C1B | CHB | C4A | 175.5° | 174.2° |
| C2B | C1B | NB | C4B | 0.2° | 1.7° |
| C2B | C1B | NB | FE | 165.6° | 167.8° |
| C2B | C1B | CHB | H2 | 4.5° | 9.9° |
| C1B | C2B | CMB | H13 | 2.5° | 20.5° |
| C1B | C2B | CMB | H14 | 117.5° | 140.0° |
| C1B | C2B | CMB | H15 | 122.5° | 99.9° |
| CAB | C3B | C4B | NB | 180.0° | 178.8° |
| CAB | C3B | C4B | CHC | 0.2° | 0.2° |
| C3B | CAB | CBB | H17 | 180.0° | 177.6° |
| C3B | CAB | CBB | H18 | 0.0° | 4.2° |
| CMA | C3A | C4A | CHB | 5.0° | 2.5° |
| CMA | C3A | C4A | C2A | 179.5° | 178.5° |
| CMA | C3A | C4A | NA | 178.0° | 179.7° |
| CMA | C3A | C2A | CAA | 3.0° | 1.4° |
| CMA | C3A | C2A | C1A | 178.6° | 178.8° |
| C3A | CMA | H5 | H6 | 120.0° | 120.7° |
| C3A | CMA | H5 | H7 | 120.0° | 120.2° |
| C3A | CMA | H6 | H7 | 120.0° | 120.4° |
| C3B | C4B | NB | C1B | 0.4° | 1.3° |
| C3B | C4B | NB | CHC | 179.7° | 178.8° |
| C3B | C4B | NB | FE | 165.3° | 168.4° |
| C3B | C4B | CHC | C1C | 176.3° | 171.6° |
| C3B | C4B | CHC | H3 | 3.7° | 15.2° |
| C4B | C3B | CAB | H16 | 37.9° | 169.2° |
| O2A | CGA | CBA | O1A | 179.7° | 179.9° |
| O2A | CGA | CBA | CAA | 116.7° | 98.8° |
| O2A | CGA | CBA | H10 | 122.7° | 22.3° |
| O2A | CGA | CBA | H11 | 4.0° | 139.0° |
| O2A | CGA | O1A | H12 | 0.0° | 179.9° |
| C1B | CHB | C4A | H2 | 180.0° | 175.9° |
| C1B | CHB | C4A | C3A | 179.1° | 167.8° |
| C1B | CHB | C4A | NA | 2.4° | 15.3° |
| CHB | C1B | NB | C4B | 176.8° | 179.6° |
| CHB | C1B | NB | FE | 17.8° | 10.9° |
| C4A | CHB | C1B | NB | 0.6° | 7.4° |
| CHB | C4A | C3A | NA | 177.0° | 177.2° |
| CHB | C4A | C3A | C2A | 175.5° | 179.1° |
| CHB | C4A | NA | FE | 13.2° | 5.3° |
| CHB | C4A | NA | C1A | 175.8° | 180.0° |
| C1B | NB | C4B | FE | 164.9° | 169.7° |
| C1B | NB | C4B | CHC | 179.9° | 179.9° |
| C1B | NB | FE | NA | 23.8° | 15.0° |
| C1B | NB | FE | NC | 176.6° | 175.2° |
| NB | C1B | CHB | H2 | 179.4° | 168.6° |
| C4A | C3A | C2A | CAA | 177.5° | 179.9° |
| C4A | C3A | C2A | C1A | 0.9° | 0.2° |
| C3A | C4A | NA | FE | 164.0° | 177.3° |
| C3A | C4A | NA | C1A | 1.4° | 2.6° |
| C3A | C4A | CHB | H2 | 0.9° | 16.2° |
| C4A | C3A | CMA | H5 | 180.0° | 136.9° |
| C4A | C3A | CMA | H6 | 60.0° | 17.3° |
| C4A | C3A | CMA | H7 | 60.0° | 102.9° |
| C2A | C3A | C4A | NA | 1.4° | 1.9° |
| C3A | C2A | CAA | CBA | 73.2° | 90.6° |
| C3A | C2A | CAA | C1A | 178.1° | 179.8° |
| C3A | C2A | C1A | NA | 0.0° | 1.4° |
| C3A | C2A | C1A | CHA | 174.6° | 177.4° |
| C2A | C3A | CMA | H5 | 0.6° | 41.3° |
| C2A | C3A | CMA | H6 | 120.6° | 160.9° |
| C2A | C3A | CMA | H7 | 119.4° | 78.8° |
| C3A | C2A | CAA | H8 | 166.4° | 31.5° |
| C3A | C2A | CAA | H9 | 47.3° | 147.8° |
| C4A | NA | FE | NB | 21.6° | 7.0° |
| C4A | NA | C1A | C2A | 0.9° | 2.5° |
| C4A | NA | FE | C1A | 159.0° | 172.6° |
| C4A | NA | FE | NC | 107.1° | 134.6° |
| C4A | NA | C1A | CHA | 173.9° | 178.5° |
| NA | C4A | CHB | H2 | 177.6° | 160.6° |
| CGA | CBA | CAA | H10 | 120.7° | 120.8° |
| CGA | CBA | CAA | H11 | 120.7° | 122.2° |
| CGA | CBA | CAA | C2A | 55.8° | 171.8° |
| CGA | CBA | CAA | H8 | 64.7° | 65.4° |
| CGA | CBA | CAA | H9 | 176.2° | 49.8° |
| CGA | CBA | H10 | H11 | 118.0° | 117.8° |
| CBA | CGA | O1A | H12 | 179.7° | 0.2° |
| CAA | CBA | CGA | O1A | 63.1° | 81.3° |
| CBA | CAA | C2A | H8 | 120.5° | 122.1° |
| CBA | CAA | C2A | H9 | 120.4° | 121.6° |
| CBA | CAA | C2A | C1A | 105.0° | 89.2° |
| CBA | CAA | H8 | H9 | 118.6° | 116.7° |
| CAA | CBA | H10 | H11 | 118.0° | 118.0° |
| O1A | CGA | CBA | H10 | 57.6° | 157.6° |
| O1A | CGA | CBA | H11 | 176.3° | 40.9° |
| NB | C4B | CHC | C1C | 3.4° | 9.9° |
| C4B | NB | FE | NA | 174.0° | 177.4° |
| C4B | NB | FE | NC | 21.1° | 17.2° |
| NB | C4B | CHC | H3 | 176.6° | 163.3° |
| CHC | C4B | NB | FE | 15.0° | 10.4° |
| C4B | CHC | C1C | H3 | 180.0° | 173.1° |
| C4B | CHC | C1C | NC | 6.7° | 16.1° |
| C4B | CHC | C1C | C2C | 173.8° | 159.5° |
| NB | FE | NA | NC | 85.5° | 127.6° |
| NB | FE | NA | C1A | 179.4° | 165.6° |
| NB | FE | NC | C1C | 17.4° | 10.7° |
| NB | FE | NC | C4C | 173.4° | 163.2° |
| CAA | C2A | C1A | NA | 178.4° | 178.4° |
| CAA | C2A | C1A | CHA | 3.8° | 2.4° |
| C2A | CAA | H8 | H9 | 118.6° | 118.4° |
| C2A | CAA | CBA | H10 | 176.4° | 51.0° |
| C2A | CAA | CBA | H11 | 64.9° | 66.0° |
| C2A | C1A | NA | FE | 162.6° | 175.8° |
| C2A | C1A | NA | CHA | 174.7° | 176.0° |
| C2A | C1A | CHA | C4D | 176.9° | 178.1° |
| C2A | C1A | CHA | H1 | 3.1° | 1.2° |
| C1A | C2A | CAA | H8 | 15.5° | 148.7° |
| C1A | C2A | CAA | H9 | 134.6° | 32.4° |
| CHC | C1C | NC | FE | 8.0° | 2.6° |
| CHC | C1C | NC | C2C | 179.6° | 176.2° |
| CHC | C1C | NC | C4C | 179.2° | 178.3° |
| CHC | C1C | C2C | CMC | 0.2° | 2.3° |
| CHC | C1C | C2C | C3C | 179.8° | 178.8° |
| FE | NA | C1A | CHA | 12.2° | 8.2° |
| NA | FE | NC | C1C | 103.2° | 137.9° |
| NA | FE | NC | C4C | 87.7° | 36.0° |
| C1A | NA | FE | NC | 93.9° | 38.1° |
| NA | C1A | CHA | C4D | 9.3° | 6.5° |
| NA | C1A | CHA | H1 | 170.8° | 174.2° |
| FE | NC | C1C | C4C | 171.1° | 175.7° |
| FE | NC | C1C | C2C | 171.5° | 173.6° |
| FE | NC | C4C | C3C | 171.5° | 173.5° |
| FE | NC | C4C | CHD | 8.6° | 8.6° |
| C1A | CHA | C4D | H1 | 180.0° | 179.3° |
| C1A | CHA | C4D | ND | 15.6° | 46.6° |
| C1A | CHA | C4D | C3D | 156.2° | 114.2° |
| NC | C1C | C2C | CMC | 179.8° | 178.4° |
| NC | C1C | C2C | C3C | 0.2° | 2.7° |
| C1C | NC | C4C | C3C | 0.8° | 0.8° |
| C1C | NC | C4C | CHD | 179.3° | 177.1° |
| NC | C1C | CHC | H3 | 173.3° | 157.0° |
| C2C | C1C | NC | C4C | 0.4° | 2.1° |
| C1C | C2C | CMC | C3C | 180.0° | 178.8° |
| C1C | C2C | C3C | C4C | 0.7° | 2.0° |
| C1C | C2C | C3C | CAC | 178.3° | 179.8° |
| C2C | C1C | CHC | H3 | 6.2° | 27.4° |
| C1C | C2C | CMC | H19 | 90.0° | 136.4° |
| C1C | C2C | CMC | H20 | 150.0° | 16.6° |
| C1C | C2C | CMC | H21 | 30.0° | 103.7° |
| NC | C4C | C3C | C2C | 1.0° | 0.8° |
| NC | C4C | C3C | CHD | 179.8° | 177.8° |
| NC | C4C | C3C | CAC | 178.1° | 178.7° |
| NC | C4C | CHD | C1D | 2.9° | 4.1° |
| NC | C4C | CHD | H4 | 177.1° | 177.4° |
| CHA | C4D | ND | C3D | 173.0° | 162.7° |
| CHA | C4D | ND | C40 | 48.8° | 21.2° |
| CHA | C4D | ND | C1D | 163.4° | 175.2° |
| CHA | C4D | C3D | CAD | 7.2° | 11.5° |
| CHA | C4D | C3D | C2D | 169.5° | 172.2° |
| CMC | C2C | C3C | C4C | 179.3° | 179.0° |
| CMC | C2C | C3C | CAC | 1.7° | 0.8° |
| C2C | CMC | H19 | H20 | 120.0° | 121.0° |
| C2C | CMC | H19 | H21 | 120.0° | 120.1° |
| C2C | CMC | H20 | H21 | 120.0° | 120.5° |
| C2C | C3C | C4C | CAC | 179.1° | 178.0° |
| C2C | C3C | C4C | CHD | 179.2° | 178.6° |
| C2C | C3C | CAC | CBC | 1.5° | 174.3° |
| C3C | C2C | CMC | H19 | 90.0° | 42.4° |
| C3C | C2C | CMC | H20 | 30.0° | 162.2° |
| C3C | C2C | CMC | H21 | 150.0° | 77.5° |
| C2C | C3C | CAC | H22 | 178.5° | 7.0° |
| O2D | CGD | CBD | O1D | 179.4° | 179.9° |
| O2D | CGD | CBD | CAD | 97.3° | 99.2° |
| O2D | CGD | CBD | H30 | 142.1° | 22.0° |
| O2D | CGD | CBD | H31 | 23.2° | 138.7° |
| O2D | CGD | O1D | H32 | 0.0° | 179.9° |
| CGD | CBD | CAD | H30 | 120.6° | 120.8° |
| CGD | CBD | CAD | H31 | 120.6° | 122.2° |
| CGD | CBD | CAD | C3D | 89.9° | 164.7° |
| CGD | CBD | CAD | H28 | 30.7° | 73.1° |
| CGD | CBD | CAD | H29 | 149.5° | 42.2° |
| CGD | CBD | H30 | H31 | 118.2° | 117.7° |
| CBD | CGD | O1D | H32 | 179.4° | 0.2° |
| CBD | CAD | C3D | C4D | 88.9° | 84.9° |
| CAD | CBD | CGD | O1D | 82.1° | 80.9° |
| CBD | CAD | C3D | H28 | 120.6° | 121.7° |
| CBD | CAD | C3D | H29 | 120.6° | 122.1° |
| CBD | CAD | C3D | C2D | 87.3° | 90.6° |
| CBD | CAD | H28 | H29 | 118.2° | 116.9° |
| CAD | CBD | H30 | H31 | 118.2° | 118.0° |
| C4D | ND | C40 | C1D | 146.7° | 160.5° |
| C4D | ND | C40 | C41 | 73.1° | 51.6° |
| ND | C4D | C3D | CAD | 179.2° | 175.5° |
| ND | C4D | C3D | C2D | 4.1° | 8.2° |
| C4D | ND | C1D | CHD | 169.2° | 174.8° |
| C4D | ND | C1D | C2D | 10.6° | 12.3° |
| ND | C4D | CHA | H1 | 164.4° | 132.7° |
| C4D | ND | C40 | H33 | 47.4° | 172.7° |
| C4D | ND | C40 | H34 | 166.5° | 70.5° |
| C3D | C4D | ND | C40 | 138.3° | 176.1° |
| C3D | C4D | ND | C1D | 9.6° | 12.6° |
| C4D | C3D | CAD | C2D | 176.2° | 175.4° |
| C4D | C3D | C2D | C1D | 2.0° | 0.5° |
| C4D | C3D | C2D | CMD | 176.9° | 177.2° |
| C3D | C4D | CHA | H1 | 23.8° | 66.5° |
| C4D | C3D | CAD | H28 | 150.5° | 153.4° |
| C4D | C3D | CAD | H29 | 31.7° | 37.2° |
| O1D | CGD | CBD | H30 | 38.5° | 157.9° |
| O1D | CGD | CBD | H31 | 157.3° | 41.2° |
| ND | C40 | C41 | H33 | 120.4° | 122.1° |
| ND | C40 | C41 | H34 | 120.4° | 122.0° |
| C40 | ND | C1D | CHD | 43.1° | 21.4° |
| C40 | ND | C1D | C2D | 137.1° | 176.1° |
| ND | C40 | C41 | C43 | 168.6° | 131.1° |
| ND | C40 | C41 | O1 | 10.3° | 48.8° |
| ND | C40 | H33 | H34 | 118.7° | 118.2° |
| ND | C1D | CHD | C4C | 27.5° | 48.6° |
| C1D | ND | C40 | C41 | 73.6° | 108.9° |
| ND | C1D | C2D | C3D | 7.2° | 7.4° |
| ND | C1D | CHD | C2D | 179.8° | 160.7° |
| ND | C1D | C2D | CMD | 177.8° | 174.8° |
| ND | C1D | CHD | H4 | 152.5° | 129.9° |
| C1D | ND | C40 | H33 | 165.9° | 12.2° |
| C1D | ND | C40 | H34 | 46.8° | 129.1° |
| C3C | C4C | CHD | C1D | 176.9° | 178.4° |
| C4C | C3C | CAC | CBC | 177.4° | 8.1° |
| C3C | C4C | CHD | H4 | 3.1° | 0.1° |
| C4C | C3C | CAC | H22 | 2.6° | 170.7° |
| CHD | C4C | C3C | CAC | 1.7° | 3.5° |
| C4C | CHD | C1D | H4 | 180.0° | 178.6° |
| C4C | CHD | C1D | C2D | 152.2° | 112.1° |
| C40 | C41 | C43 | O1 | 179.0° | 179.9° |
| C40 | C41 | C43 | C44 | 48.9° | 43.0° |
| C41 | C40 | H33 | H34 | 118.8° | 117.3° |
| C40 | C41 | C43 | H35 | 168.9° | 79.9° |
| C40 | C41 | C43 | H36 | 71.0° | 165.4° |
| C3C | CAC | CBC | H22 | 180.0° | 178.8° |
| C3C | CAC | CBC | H23 | 180.0° | 178.7° |
| C3C | CAC | CBC | H24 | 0.0° | 2.6° |
| C45 | C46 | C47 | H38 | 180.0° | 179.9° |
| C46 | C45 | C44 | H37 | 180.0° | 179.7° |
| C45 | C46 | C47 | C48 | 0.5° | 0.0° |
| C46 | C45 | C44 | C43 | 173.9° | 179.6° |
| C46 | C45 | C44 | C49 | 1.6° | 0.6° |
| C45 | C46 | C47 | H39 | 179.5° | 179.9° |
| C47 | C46 | C45 | C44 | 0.7° | 0.3° |
| C46 | C47 | C48 | H39 | 180.0° | 180.0° |
| C46 | C47 | C48 | C49 | 0.7° | 0.0° |
| C47 | C46 | C45 | H37 | 179.3° | 180.0° |
| C46 | C47 | C48 | H40 | 179.3° | 179.9° |
| CAD | C3D | C2D | C1D | 174.7° | 176.6° |
| CAD | C3D | C2D | CMD | 0.2° | 1.1° |
| C3D | CAD | H28 | H29 | 118.2° | 118.3° |
| C3D | CAD | CBD | H30 | 149.5° | 43.9° |
| C3D | CAD | CBD | H31 | 30.6° | 73.1° |
| C3D | C2D | C1D | CHD | 172.6° | 171.3° |
| C3D | C2D | C1D | CMD | 174.9° | 177.8° |
| C3D | C2D | CMD | H25 | 180.0° | 140.9° |
| C3D | C2D | CMD | H26 | 60.0° | 21.2° |
| C3D | C2D | CMD | H27 | 60.0° | 99.0° |
| C2D | C3D | CAD | H28 | 33.3° | 31.1° |
| C2D | C3D | CAD | H29 | 152.1° | 147.3° |
| CHD | C1D | C2D | CMD | 2.4° | 10.9° |
| C2D | C1D | CHD | H4 | 27.8° | 69.3° |
| C1D | C2D | CMD | H25 | 6.0° | 36.4° |
| C1D | C2D | CMD | H26 | 114.1° | 156.2° |
| C1D | C2D | CMD | H27 | 126.0° | 83.7° |
| C45 | C44 | C43 | C41 | 101.3° | 71.1° |
| C45 | C44 | C43 | C49 | 175.4° | 178.9° |
| C45 | C44 | C49 | C48 | 1.4° | 0.7° |
| C45 | C44 | C43 | H35 | 138.8° | 166.5° |
| C45 | C44 | C43 | H36 | 18.6° | 51.0° |
| C44 | C45 | C46 | H38 | 179.3° | 179.6° |
| C45 | C44 | C49 | H41 | 178.6° | 179.7° |
| C2D | CMD | H25 | H26 | 120.0° | 120.7° |
| C2D | CMD | H25 | H27 | 120.0° | 120.3° |
| C2D | CMD | H26 | H27 | 120.0° | 120.3° |
| C47 | C48 | C49 | C44 | 0.2° | 0.4° |
| C47 | C48 | C49 | H40 | 180.0° | 180.0° |
| C48 | C47 | C46 | H38 | 179.5° | 179.9° |
| C47 | C48 | C49 | H41 | 179.8° | 180.0° |
| CAC | CBC | H23 | H24 | 180.0° | 178.8° |
| C41 | C43 | C44 | H35 | 119.9° | 122.4° |
| C41 | C43 | C44 | H36 | 119.9° | 122.1° |
| C41 | C43 | C44 | C49 | 74.1° | 107.8° |
| C43 | C41 | C40 | H33 | 71.0° | 106.8° |
| C43 | C41 | C40 | H34 | 48.2° | 9.1° |
| C41 | C43 | H35 | H36 | 120.3° | 115.8° |
| O1 | C41 | C43 | C44 | 130.0° | 137.1° |
| O1 | C41 | C40 | H33 | 110.1° | 73.2° |
| O1 | C41 | C40 | H34 | 130.7° | 170.8° |
| O1 | C41 | C43 | H35 | 10.1° | 100.0° |
| O1 | C41 | C43 | H36 | 110.1° | 14.7° |
| C43 | C44 | C49 | C48 | 174.1° | 179.6° |
| C44 | C43 | H35 | H36 | 120.3° | 116.8° |
| C43 | C44 | C45 | H37 | 6.2° | 0.8° |
| C43 | C44 | C49 | H41 | 5.9° | 0.8° |
| C44 | C49 | C48 | H41 | 180.0° | 179.6° |
| C49 | C44 | C43 | H35 | 45.9° | 14.6° |
| C49 | C44 | C43 | H36 | 166.0° | 130.2° |
| C49 | C44 | C45 | H37 | 178.4° | 179.7° |
| C44 | C49 | C48 | H40 | 179.8° | 179.6° |
| C49 | C48 | C47 | H39 | 179.3° | 180.0° |
| H5 | CMA | H6 | H7 | 120.0° | 119.0° |
| H8 | CAA | CBA | H10 | 56.0° | 173.8° |
| H8 | CAA | CBA | H11 | 174.6° | 56.8° |
| H9 | CAA | CBA | H10 | 63.2° | 71.0° |
| H9 | CAA | CBA | H11 | 55.5° | 172.0° |
| H13 | CMB | H14 | H15 | 120.0° | 119.1° |
| H16 | CAB | CBB | H17 | 0.0° | 0.9° |
| H16 | CAB | CBB | H18 | 180.0° | 177.3° |
| H19 | CMC | H20 | H21 | 120.0° | 118.9° |
| H22 | CAC | CBC | H23 | 0.0° | 0.1° |
| H22 | CAC | CBC | H24 | 180.0° | 178.7° |
| H25 | CMD | H26 | H27 | 120.0° | 119.2° |
| H28 | CAD | CBD | H30 | 89.9° | 166.1° |
| H28 | CAD | CBD | H31 | 151.3° | 49.1° |
| H29 | CAD | CBD | H30 | 28.9° | 78.7° |
| H29 | CAD | CBD | H31 | 90.0° | 164.3° |
| H37 | C45 | C46 | H38 | 0.7° | 0.1° |
| H38 | C46 | C47 | H39 | 0.5° | 0.0° |
| H39 | C47 | C48 | H40 | 0.7° | 0.0° |
| H40 | C48 | C49 | H41 | 0.3° | 0.0° |
