UPB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2D | CGD | doub | 1.21Å | 1.26Å | |
| CGD | O1D | sing | 1.34Å | 1.26Å | |
| CGD | CBD | sing | 1.51Å | 1.53Å | |
| O2A | CGA | doub | 1.21Å | 1.26Å | |
| CBD | CAD | sing | 1.53Å | 1.52Å | |
| O1A | CGA | sing | 1.34Å | 1.26Å | |
| CGA | CBA | sing | 1.51Å | 1.53Å | |
| CAD | C3D | sing | 1.51Å | 1.53Å | |
| CBA | CAA | sing | 1.53Å | 1.53Å | |
| CMD | C2D | sing | 1.51Å | 1.53Å | |
| C3D | C2D | doub | 1.36Å | 1.33Å | |
| C3D | C4D | sing | 1.42Å | 1.37Å | |
| C2D | C1D | sing | 1.42Å | 1.36Å | |
| CAA | C2A | sing | 1.51Å | 1.52Å | |
| C4D | CHA | doub | 1.40Å | 1.52Å | |
| C4D | ND | sing | 1.35Å | 1.37Å | |
| CHA | C1A | sing | 1.40Å | 1.31Å | |
| C1D | ND | doub | 1.33Å | 1.37Å | |
| C1D | CHD | sing | 1.46Å | 1.53Å | |
| CHD | C4C | doub | 1.36Å | 1.31Å | |
| C1A | C2A | doub | 1.40Å | 1.52Å | Aromatic |
| C1A | NA | sing | 1.38Å | 1.50Å | Aromatic |
| C2A | C3A | sing | 1.38Å | 1.47Å | Aromatic |
| NC | C4C | sing | 1.38Å | 1.45Å | |
| NC | C1C | sing | 1.34Å | 1.45Å | |
| C4C | C3C | sing | 1.47Å | 1.56Å | |
| CMC | C2C | sing | 1.53Å | 1.54Å | |
| OC | C1C | doub | 1.21Å | 1.19Å | |
| C1C | C2C | sing | 1.51Å | 1.51Å | |
| C3A | CMA | sing | 1.51Å | 1.52Å | |
| C3A | C4A | doub | 1.39Å | 1.48Å | Aromatic |
| NA | C4A | sing | 1.37Å | 1.47Å | Aromatic |
| C3C | CAC | doub | 1.33Å | 1.33Å | |
| C3C | C2C | sing | 1.52Å | 1.50Å | |
| CAC | CBC | sing | 1.51Å | 1.53Å | |
| C4A | CHB | sing | 1.41Å | 1.52Å | |
| CHB | C1B | doub | 1.38Å | 1.31Å | |
| C1B | NB | sing | 1.39Å | 1.52Å | |
| C1B | C2B | sing | 1.41Å | 1.49Å | |
| NB | C4B | sing | 1.35Å | 1.53Å | |
| C2B | CMB | sing | 1.51Å | 1.52Å | |
| C2B | C3B | doub | 1.38Å | 1.43Å | |
| C4B | C3B | sing | 1.47Å | 1.49Å | |
| C4B | OB | doub | 1.22Å | 1.19Å | |
| C3B | CAB | sing | 1.47Å | 1.52Å | |
| CBB | CAB | doub | 1.33Å | 1.32Å | |
| CHA | H1 | sing | 1.08Å | 1.08Å | |
| NA | H3 | sing | 0.97Å | 1.00Å | |
| CMA | H4 | sing | 1.09Å | 1.10Å | |
| CMA | H5 | sing | 1.09Å | 1.10Å | |
| CMA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CBA | H9 | sing | 1.09Å | 1.10Å | |
| CBA | H10 | sing | 1.09Å | 1.10Å | |
| O1A | H11 | sing | 0.97Å | 0.95Å | |
| CHB | H12 | sing | 1.08Å | 1.08Å | |
| CMB | H14 | sing | 1.09Å | 1.10Å | |
| CMB | H15 | sing | 1.09Å | 1.10Å | |
| CMB | H16 | sing | 1.09Å | 1.10Å | |
| CAB | H17 | sing | 1.08Å | 1.08Å | |
| CBB | H18 | sing | 1.08Å | 1.08Å | |
| CBB | H19 | sing | 1.08Å | 1.08Å | |
| NC | H20 | sing | 0.97Å | 1.00Å | |
| C2C | H21 | sing | 1.09Å | 1.10Å | |
| CMC | H23 | sing | 1.09Å | 1.10Å | |
| CMC | H24 | sing | 1.09Å | 1.10Å | |
| CMC | H25 | sing | 1.09Å | 1.10Å | |
| CAC | H26 | sing | 1.08Å | 1.08Å | |
| CBC | H28 | sing | 1.09Å | 1.10Å | |
| CBC | H29 | sing | 1.09Å | 1.10Å | |
| CBC | H30 | sing | 1.09Å | 1.10Å | |
| CHD | H31 | sing | 1.08Å | 1.08Å | |
| CMD | H33 | sing | 1.09Å | 1.10Å | |
| CMD | H34 | sing | 1.09Å | 1.10Å | |
| CMD | H35 | sing | 1.09Å | 1.10Å | |
| CAD | H36 | sing | 1.09Å | 1.10Å | |
| CAD | H37 | sing | 1.09Å | 1.10Å | |
| CBD | H38 | sing | 1.09Å | 1.10Å | |
| CBD | H39 | sing | 1.09Å | 1.10Å | |
| O1D | H40 | sing | 0.97Å | 0.95Å | |
| NB | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2D | CGD | O1D | 120.4° | 119.9° |
| O2D | CGD | CBD | 118.9° | 120.0° |
| O1D | CGD | CBD | 120.7° | 120.0° |
| CGD | O1D | H40 | 109.5° | 117.0° |
| CGD | CBD | CAD | 109.7° | 109.5° |
| CGD | CBD | H38 | 109.4° | 109.5° |
| CGD | CBD | H39 | 109.4° | 109.5° |
| O2A | CGA | O1A | 120.0° | 120.0° |
| O2A | CGA | CBA | 120.5° | 120.0° |
| CBD | CAD | C3D | 109.4° | 109.4° |
| CBD | CAD | H36 | 109.5° | 109.5° |
| CBD | CAD | H37 | 109.5° | 109.5° |
| CAD | CBD | H38 | 109.4° | 109.5° |
| CAD | CBD | H39 | 109.4° | 109.4° |
| O1A | CGA | CBA | 119.5° | 120.0° |
| CGA | O1A | H11 | 109.5° | 117.0° |
| CGA | CBA | CAA | 110.5° | 109.5° |
| CGA | CBA | H9 | 109.2° | 109.5° |
| CGA | CBA | H10 | 109.2° | 109.5° |
| CAD | C3D | C2D | 119.0° | 126.6° |
| CAD | C3D | C4D | 133.2° | 126.6° |
| C3D | CAD | H36 | 109.5° | 109.5° |
| C3D | CAD | H37 | 109.5° | 109.4° |
| CBA | CAA | C2A | 107.5° | 109.5° |
| CBA | CAA | H7 | 109.9° | 109.5° |
| CBA | CAA | H8 | 110.0° | 109.5° |
| CAA | CBA | H9 | 109.2° | 109.5° |
| CAA | CBA | H10 | 109.2° | 109.4° |
| CMD | C2D | C3D | 122.9° | 126.5° |
| CMD | C2D | C1D | 128.1° | 126.5° |
| C2D | CMD | H33 | 109.5° | 109.4° |
| C2D | CMD | H34 | 109.5° | 109.4° |
| C2D | CMD | H35 | 109.5° | 109.4° |
| C2D | C3D | C4D | 107.8° | 106.8° |
| C3D | C2D | C1D | 109.0° | 107.0° |
| C3D | C4D | CHA | 117.0° | 125.9° |
| C3D | C4D | ND | 108.6° | 108.2° |
| C2D | C1D | ND | 108.2° | 108.6° |
| C2D | C1D | CHD | 138.5° | 125.7° |
| CAA | C2A | C1A | 124.4° | 126.2° |
| CAA | C2A | C3A | 126.2° | 126.2° |
| C2A | CAA | H7 | 110.0° | 109.5° |
| C2A | CAA | H8 | 110.0° | 109.5° |
| CHA | C4D | ND | 134.4° | 125.9° |
| C4D | CHA | C1A | 120.0° | 120.0° |
| C4D | CHA | H1 | 120.0° | 120.0° |
| C4D | ND | C1D | 106.4° | 109.4° |
| CHA | C1A | C2A | 127.1° | 126.0° |
| CHA | C1A | NA | 128.0° | 126.0° |
| C1A | CHA | H1 | 120.0° | 120.0° |
| ND | C1D | CHD | 113.3° | 125.7° |
| C1D | CHD | C4C | 128.1° | 120.0° |
| C1D | CHD | H31 | 115.9° | 120.0° |
| CHD | C4C | NC | 126.0° | 125.3° |
| CHD | C4C | C3C | 126.8° | 125.4° |
| C4C | CHD | H31 | 116.0° | 120.0° |
| C2A | C1A | NA | 104.8° | 108.0° |
| C1A | C2A | C3A | 109.4° | 107.7° |
| C1A | NA | C4A | 109.9° | 108.4° |
| C1A | NA | H3 | 125.0° | 125.8° |
| C2A | C3A | CMA | 127.2° | 126.2° |
| C2A | C3A | C4A | 107.8° | 107.7° |
| C4C | NC | C1C | 110.6° | 112.8° |
| NC | C4C | C3C | 107.0° | 109.3° |
| C4C | NC | H20 | 124.7° | 123.6° |
| NC | C1C | OC | 125.0° | 125.7° |
| NC | C1C | C2C | 108.7° | 108.7° |
| C1C | NC | H20 | 124.7° | 123.6° |
| C4C | C3C | CAC | 129.1° | 127.6° |
| C4C | C3C | C2C | 106.4° | 104.7° |
| CMC | C2C | C1C | 108.5° | 110.4° |
| CMC | C2C | C3C | 110.4° | 110.5° |
| CMC | C2C | H21 | 109.9° | 110.4° |
| C2C | CMC | H23 | 109.5° | 109.5° |
| C2C | CMC | H24 | 109.5° | 109.5° |
| C2C | CMC | H25 | 109.5° | 109.5° |
| OC | C1C | C2C | 126.2° | 125.6° |
| C1C | C2C | C3C | 107.1° | 104.5° |
| C1C | C2C | H21 | 110.3° | 110.5° |
| CMA | C3A | C4A | 124.9° | 126.1° |
| C3A | CMA | H4 | 109.5° | 109.5° |
| C3A | CMA | H5 | 109.5° | 109.5° |
| C3A | CMA | H6 | 109.5° | 109.4° |
| C3A | C4A | NA | 108.1° | 108.2° |
| C3A | C4A | CHB | 125.6° | 125.9° |
| NA | C4A | CHB | 126.3° | 125.9° |
| C4A | NA | H3 | 125.1° | 125.8° |
| CAC | C3C | C2C | 123.7° | 127.7° |
| C3C | CAC | CBC | 123.1° | 120.0° |
| C3C | CAC | H26 | 118.5° | 120.0° |
| C3C | C2C | H21 | 110.5° | 110.4° |
| CBC | CAC | H26 | 118.5° | 120.0° |
| CAC | CBC | H28 | 109.5° | 109.5° |
| CAC | CBC | H29 | 109.5° | 109.5° |
| CAC | CBC | H30 | 109.5° | 109.5° |
| C4A | CHB | C1B | 120.4° | 120.0° |
| C4A | CHB | H12 | 119.8° | 120.0° |
| CHB | C1B | NB | 127.7° | 125.5° |
| CHB | C1B | C2B | 126.1° | 125.5° |
| C1B | CHB | H12 | 119.8° | 119.9° |
| NB | C1B | C2B | 106.2° | 109.0° |
| C1B | NB | C4B | 107.3° | 109.2° |
| C1B | NB | H2 | 126.3° | 125.4° |
| C1B | C2B | CMB | 122.9° | 126.3° |
| C1B | C2B | C3B | 110.1° | 107.5° |
| NB | C4B | C3B | 105.9° | 107.7° |
| NB | C4B | OB | 126.4° | 126.2° |
| C4B | NB | H2 | 126.3° | 125.4° |
| CMB | C2B | C3B | 127.0° | 126.3° |
| C2B | CMB | H14 | 109.5° | 109.5° |
| C2B | CMB | H15 | 109.5° | 109.4° |
| C2B | CMB | H16 | 109.5° | 109.5° |
| C2B | C3B | C4B | 110.4° | 106.7° |
| C2B | C3B | CAB | 126.5° | 126.6° |
| C3B | C4B | OB | 127.6° | 126.2° |
| C4B | C3B | CAB | 123.0° | 126.7° |
| C3B | CAB | CBB | 120.4° | 120.0° |
| C3B | CAB | H17 | 119.8° | 120.0° |
| CBB | CAB | H17 | 119.8° | 120.0° |
| CAB | CBB | H18 | 120.0° | 120.0° |
| CAB | CBB | H19 | 120.0° | 120.0° |
| H4 | CMA | H5 | 109.5° | 109.5° |
| H4 | CMA | H6 | 109.5° | 109.5° |
| H5 | CMA | H6 | 109.4° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H9 | CBA | H10 | 109.5° | 109.5° |
| H14 | CMB | H15 | 109.4° | 109.4° |
| H14 | CMB | H16 | 109.5° | 109.5° |
| H15 | CMB | H16 | 109.5° | 109.5° |
| H18 | CBB | H19 | 120.0° | 120.1° |
| H23 | CMC | H24 | 109.4° | 109.4° |
| H23 | CMC | H25 | 109.5° | 109.5° |
| H24 | CMC | H25 | 109.5° | 109.4° |
| H28 | CBC | H29 | 109.4° | 109.4° |
| H28 | CBC | H30 | 109.5° | 109.4° |
| H29 | CBC | H30 | 109.5° | 109.5° |
| H33 | CMD | H34 | 109.4° | 109.5° |
| H33 | CMD | H35 | 109.5° | 109.5° |
| H34 | CMD | H35 | 109.5° | 109.5° |
| H36 | CAD | H37 | 109.5° | 109.5° |
| H38 | CBD | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2D | CGD | O1D | CBD | 179.9° | 179.9° |
| O2D | CGD | CBD | CAD | 159.4° | 0.1° |
| O2D | CGD | CBD | H38 | 80.6° | 120.0° |
| O2D | CGD | CBD | H39 | 39.3° | 120.0° |
| O2D | CGD | O1D | H40 | 0.0° | 0.0° |
| O1D | CGD | CBD | CAD | 20.5° | 180.0° |
| O1D | CGD | CBD | H38 | 99.5° | 60.0° |
| O1D | CGD | CBD | H39 | 140.6° | 60.1° |
| CGD | CBD | CAD | H38 | 120.0° | 120.0° |
| CGD | CBD | CAD | H39 | 120.1° | 120.0° |
| CGD | CBD | CAD | C3D | 178.4° | 180.0° |
| CGD | CBD | CAD | H36 | 61.6° | 60.0° |
| CGD | CBD | CAD | H37 | 58.4° | 60.1° |
| CGD | CBD | H38 | H39 | 119.9° | 120.0° |
| CBD | CGD | O1D | H40 | 179.9° | 180.0° |
| O2A | CGA | O1A | CBA | 179.7° | 180.0° |
| O2A | CGA | CBA | CAA | 136.1° | 0.0° |
| O2A | CGA | CBA | H9 | 15.9° | 120.0° |
| O2A | CGA | CBA | H10 | 103.7° | 120.0° |
| O2A | CGA | O1A | H11 | 0.0° | 0.1° |
| CBD | CAD | C3D | H36 | 120.0° | 120.0° |
| CBD | CAD | C3D | H37 | 120.0° | 119.9° |
| CBD | CAD | C3D | C2D | 87.4° | 95.0° |
| CBD | CAD | C3D | C4D | 91.8° | 85.1° |
| CBD | CAD | H36 | H37 | 120.0° | 120.0° |
| CAD | CBD | H38 | H39 | 119.9° | 120.0° |
| O1A | CGA | CBA | CAA | 44.2° | 180.0° |
| O1A | CGA | CBA | H9 | 164.3° | 60.0° |
| O1A | CGA | CBA | H10 | 76.0° | 60.0° |
| CGA | CBA | CAA | H9 | 120.2° | 120.0° |
| CGA | CBA | CAA | H10 | 120.2° | 120.0° |
| CGA | CBA | CAA | C2A | 74.5° | 180.0° |
| CGA | CBA | CAA | H7 | 165.9° | 60.0° |
| CGA | CBA | CAA | H8 | 45.2° | 60.0° |
| CGA | CBA | H9 | H10 | 119.5° | 120.1° |
| CBA | CGA | O1A | H11 | 179.7° | 180.0° |
| CAD | C3D | C2D | CMD | 0.2° | 0.0° |
| CAD | C3D | C2D | C4D | 179.4° | 180.0° |
| CAD | C3D | C2D | C1D | 179.7° | 179.9° |
| CAD | C3D | C4D | CHA | 0.3° | 0.0° |
| CAD | C3D | C4D | ND | 179.7° | 180.0° |
| C3D | CAD | H36 | H37 | 120.0° | 120.0° |
| C3D | CAD | CBD | H38 | 58.4° | 60.0° |
| C3D | CAD | CBD | H39 | 61.5° | 60.0° |
| CBA | CAA | C2A | H7 | 119.7° | 120.0° |
| CBA | CAA | C2A | H8 | 119.7° | 120.0° |
| CBA | CAA | C2A | C1A | 104.4° | 90.1° |
| CBA | CAA | C2A | C3A | 73.7° | 90.0° |
| CBA | CAA | H7 | H8 | 120.9° | 120.0° |
| CAA | CBA | H9 | H10 | 119.5° | 120.0° |
| CMD | C2D | C3D | C1D | 179.8° | 179.9° |
| CMD | C2D | C3D | C4D | 179.5° | 180.0° |
| CMD | C2D | C1D | ND | 179.8° | 180.0° |
| CMD | C2D | C1D | CHD | 1.7° | 0.0° |
| C2D | CMD | H33 | H34 | 120.0° | 120.0° |
| C2D | CMD | H33 | H35 | 120.0° | 119.9° |
| C2D | CMD | H34 | H35 | 120.0° | 120.0° |
| C2D | C3D | C4D | CHA | 179.5° | 180.0° |
| C2D | C3D | C4D | ND | 0.5° | 0.0° |
| C3D | C2D | C1D | ND | 0.0° | 0.0° |
| C3D | C2D | C1D | CHD | 178.5° | 180.0° |
| C3D | C2D | CMD | H33 | 180.0° | 180.0° |
| C3D | C2D | CMD | H34 | 60.0° | 60.0° |
| C3D | C2D | CMD | H35 | 60.0° | 60.0° |
| C2D | C3D | CAD | H36 | 152.6° | 145.0° |
| C2D | C3D | CAD | H37 | 32.6° | 25.0° |
| C4D | C3D | C2D | C1D | 0.3° | 0.0° |
| C3D | C4D | CHA | ND | 180.0° | 180.0° |
| C3D | C4D | CHA | C1A | 176.7° | 172.6° |
| C3D | C4D | ND | C1D | 0.5° | 0.0° |
| C3D | C4D | CHA | H1 | 3.3° | 7.6° |
| C4D | C3D | CAD | H36 | 28.2° | 35.0° |
| C4D | C3D | CAD | H37 | 148.2° | 155.0° |
| C2D | C1D | ND | C4D | 0.3° | 0.0° |
| C2D | C1D | ND | CHD | 178.9° | 180.0° |
| C2D | C1D | CHD | C4C | 158.2° | 175.1° |
| C2D | C1D | CHD | H31 | 21.8° | 4.9° |
| C1D | C2D | CMD | H33 | 0.2° | 0.1° |
| C1D | C2D | CMD | H34 | 120.2° | 120.1° |
| C1D | C2D | CMD | H35 | 119.8° | 119.9° |
| CAA | C2A | C1A | CHA | 1.1° | 0.1° |
| CAA | C2A | C1A | C3A | 178.4° | 179.9° |
| CAA | C2A | C1A | NA | 179.5° | 180.0° |
| CAA | C2A | C3A | CMA | 1.8° | 0.1° |
| CAA | C2A | C3A | C4A | 179.0° | 180.0° |
| C2A | CAA | H7 | H8 | 120.9° | 120.0° |
| C2A | CAA | CBA | H9 | 45.7° | 60.0° |
| C2A | CAA | CBA | H10 | 165.4° | 60.0° |
| C4D | CHA | C1A | H1 | 180.0° | 179.8° |
| CHA | C4D | ND | C1D | 179.5° | 180.0° |
| C4D | CHA | C1A | C2A | 172.8° | 166.8° |
| C4D | CHA | C1A | NA | 7.8° | 13.1° |
| ND | C4D | CHA | C1A | 3.4° | 7.4° |
| C4D | ND | C1D | CHD | 179.2° | 180.0° |
| ND | C4D | CHA | H1 | 176.6° | 172.4° |
| CHA | C1A | C2A | NA | 179.4° | 180.0° |
| CHA | C1A | C2A | C3A | 179.5° | 180.0° |
| CHA | C1A | NA | C4A | 179.5° | 180.0° |
| CHA | C1A | NA | H3 | 0.5° | 0.2° |
| ND | C1D | CHD | C4C | 23.5° | 4.8° |
| ND | C1D | CHD | H31 | 156.5° | 175.1° |
| C1D | CHD | C4C | H31 | 180.0° | 180.0° |
| C1D | CHD | C4C | NC | 9.7° | 3.6° |
| C1D | CHD | C4C | C3C | 174.8° | 176.5° |
| CHD | C4C | NC | C3C | 176.2° | 179.9° |
| CHD | C4C | NC | C1C | 177.6° | 180.0° |
| CHD | C4C | C3C | CAC | 8.6° | 0.1° |
| CHD | C4C | C3C | C2C | 178.5° | 180.0° |
| CHD | C4C | NC | H20 | 2.3° | 0.2° |
| C1A | C2A | C3A | CMA | 179.8° | 180.0° |
| C1A | C2A | C3A | C4A | 0.6° | 0.0° |
| C2A | C1A | NA | C4A | 1.1° | 0.0° |
| C2A | C1A | CHA | H1 | 7.1° | 12.9° |
| C2A | C1A | NA | H3 | 178.9° | 179.7° |
| C1A | C2A | CAA | H7 | 135.9° | 149.9° |
| C1A | C2A | CAA | H8 | 15.2° | 29.9° |
| NA | C1A | C2A | C3A | 1.0° | 0.0° |
| C1A | NA | C4A | C3A | 0.7° | 0.0° |
| C1A | NA | C4A | H3 | 180.0° | 179.8° |
| C1A | NA | C4A | CHB | 179.9° | 179.7° |
| NA | C1A | CHA | H1 | 172.2° | 167.1° |
| C2A | C3A | CMA | C4A | 179.0° | 180.0° |
| C2A | C3A | C4A | NA | 0.0° | 0.0° |
| C2A | C3A | C4A | CHB | 179.5° | 179.7° |
| C2A | C3A | CMA | H4 | 89.5° | 90.0° |
| C2A | C3A | CMA | H5 | 150.5° | 150.0° |
| C2A | C3A | CMA | H6 | 30.5° | 30.0° |
| C3A | C2A | CAA | H7 | 45.9° | 30.0° |
| C3A | C2A | CAA | H8 | 166.6° | 150.0° |
| C4C | NC | C1C | H20 | 180.0° | 179.8° |
| C4C | NC | C1C | OC | 179.6° | 180.0° |
| C4C | NC | C1C | C2C | 0.0° | 0.1° |
| NC | C4C | C3C | CAC | 167.5° | 180.0° |
| NC | C4C | C3C | C2C | 2.3° | 0.0° |
| NC | C4C | CHD | H31 | 170.3° | 176.4° |
| C1C | NC | C4C | C3C | 1.4° | 0.1° |
| NC | C1C | C2C | CMC | 120.7° | 118.9° |
| NC | C1C | OC | C2C | 179.6° | 179.8° |
| NC | C1C | C2C | C3C | 1.5° | 0.1° |
| NC | C1C | C2C | H21 | 118.8° | 118.7° |
| C4C | C3C | C2C | CMC | 120.3° | 118.8° |
| C4C | C3C | C2C | C1C | 2.3° | 0.0° |
| C4C | C3C | CAC | C2C | 168.3° | 179.9° |
| C4C | C3C | CAC | CBC | 22.3° | 0.1° |
| C3C | C4C | NC | H20 | 178.5° | 179.8° |
| C4C | C3C | C2C | H21 | 117.9° | 118.8° |
| C4C | C3C | CAC | H26 | 157.7° | 179.9° |
| C3C | C4C | CHD | H31 | 5.2° | 3.5° |
| CMC | C2C | C1C | OC | 58.9° | 61.2° |
| CMC | C2C | C1C | C3C | 119.2° | 118.8° |
| CMC | C2C | C1C | H21 | 120.5° | 122.4° |
| CMC | C2C | C3C | CAC | 50.3° | 61.2° |
| CMC | C2C | C3C | H21 | 121.8° | 122.4° |
| C2C | CMC | H23 | H24 | 120.0° | 120.0° |
| C2C | CMC | H23 | H25 | 120.0° | 120.0° |
| C2C | CMC | H24 | H25 | 120.0° | 120.0° |
| OC | C1C | C2C | C3C | 178.1° | 179.9° |
| OC | C1C | NC | H20 | 0.3° | 0.1° |
| OC | C1C | C2C | H21 | 61.5° | 61.2° |
| C1C | C2C | C3C | CAC | 168.2° | 179.9° |
| C1C | C2C | C3C | H21 | 120.2° | 118.8° |
| C2C | C1C | NC | H20 | 180.0° | 179.7° |
| C1C | C2C | CMC | H23 | 180.0° | 64.9° |
| C1C | C2C | CMC | H24 | 60.0° | 175.1° |
| C1C | C2C | CMC | H25 | 60.0° | 55.2° |
| CMA | C3A | C4A | NA | 179.1° | 180.0° |
| CMA | C3A | C4A | CHB | 0.3° | 0.3° |
| C3A | CMA | H4 | H5 | 120.0° | 120.0° |
| C3A | CMA | H4 | H6 | 120.0° | 120.0° |
| C3A | CMA | H5 | H6 | 120.0° | 120.0° |
| C3A | C4A | NA | CHB | 179.4° | 179.7° |
| C3A | C4A | CHB | C1B | 176.8° | 156.3° |
| C3A | C4A | NA | H3 | 179.3° | 179.8° |
| C4A | C3A | CMA | H4 | 89.5° | 90.0° |
| C4A | C3A | CMA | H5 | 30.5° | 30.0° |
| C4A | C3A | CMA | H6 | 150.5° | 150.0° |
| C3A | C4A | CHB | H12 | 3.3° | 23.7° |
| NA | C4A | CHB | C1B | 2.6° | 24.1° |
| NA | C4A | CHB | H12 | 177.4° | 156.0° |
| C3C | CAC | CBC | H26 | 180.0° | 180.0° |
| CAC | C3C | C2C | H21 | 71.6° | 61.3° |
| C3C | CAC | CBC | H28 | 180.0° | 180.0° |
| C3C | CAC | CBC | H29 | 60.0° | 60.0° |
| C3C | CAC | CBC | H30 | 60.0° | 60.0° |
| C2C | C3C | CAC | CBC | 169.4° | 180.0° |
| C3C | C2C | CMC | H23 | 62.9° | 180.0° |
| C3C | C2C | CMC | H24 | 57.1° | 60.0° |
| C3C | C2C | CMC | H25 | 177.1° | 60.0° |
| C2C | C3C | CAC | H26 | 10.6° | 0.0° |
| CAC | CBC | H28 | H29 | 120.0° | 120.0° |
| CAC | CBC | H28 | H30 | 120.0° | 120.0° |
| CAC | CBC | H29 | H30 | 120.0° | 120.1° |
| C4A | CHB | C1B | H12 | 180.0° | 180.0° |
| C4A | CHB | C1B | NB | 19.4° | 7.6° |
| C4A | CHB | C1B | C2B | 160.5° | 172.5° |
| CHB | C4A | NA | H3 | 0.1° | 0.0° |
| CHB | C1B | NB | C2B | 180.0° | 180.0° |
| CHB | C1B | NB | C4B | 179.7° | 180.0° |
| CHB | C1B | C2B | CMB | 0.2° | 0.0° |
| CHB | C1B | C2B | C3B | 179.7° | 180.0° |
| CHB | C1B | NB | H2 | 0.4° | 0.3° |
| C1B | NB | C4B | H2 | 180.0° | 179.7° |
| NB | C1B | C2B | CMB | 179.8° | 180.0° |
| NB | C1B | C2B | C3B | 0.3° | 0.0° |
| C1B | NB | C4B | C3B | 0.8° | 0.0° |
| C1B | NB | C4B | OB | 179.6° | 179.7° |
| NB | C1B | CHB | H12 | 160.6° | 172.4° |
| C2B | C1B | NB | C4B | 0.4° | 0.0° |
| C1B | C2B | CMB | C3B | 180.0° | 180.0° |
| C1B | C2B | C3B | C4B | 0.8° | 0.0° |
| C1B | C2B | C3B | CAB | 179.8° | 180.0° |
| C2B | C1B | CHB | H12 | 19.4° | 7.6° |
| C1B | C2B | CMB | H14 | 180.0° | 90.0° |
| C1B | C2B | CMB | H15 | 60.0° | 150.0° |
| C1B | C2B | CMB | H16 | 60.0° | 30.0° |
| C2B | C1B | NB | H2 | 179.6° | 179.7° |
| NB | C4B | C3B | C2B | 1.0° | 0.0° |
| NB | C4B | C3B | OB | 178.8° | 179.7° |
| NB | C4B | C3B | CAB | 179.9° | 180.0° |
| CMB | C2B | C3B | C4B | 179.2° | 180.0° |
| CMB | C2B | C3B | CAB | 0.2° | 0.0° |
| C2B | CMB | H14 | H15 | 120.0° | 120.0° |
| C2B | CMB | H14 | H16 | 120.0° | 120.0° |
| C2B | CMB | H15 | H16 | 120.0° | 120.0° |
| C2B | C3B | C4B | CAB | 179.1° | 180.0° |
| C2B | C3B | C4B | OB | 179.8° | 179.7° |
| C2B | C3B | CAB | CBB | 42.4° | 177.6° |
| C3B | C2B | CMB | H14 | 0.0° | 90.0° |
| C3B | C2B | CMB | H15 | 120.0° | 30.0° |
| C3B | C2B | CMB | H16 | 120.1° | 150.0° |
| C2B | C3B | CAB | H17 | 137.6° | 2.3° |
| C4B | C3B | CAB | CBB | 138.7° | 2.3° |
| C4B | C3B | CAB | H17 | 41.3° | 177.7° |
| C3B | C4B | NB | H2 | 179.2° | 179.7° |
| OB | C4B | C3B | CAB | 1.2° | 0.3° |
| OB | C4B | NB | H2 | 0.4° | 0.0° |
| C3B | CAB | CBB | H17 | 180.0° | 180.0° |
| C3B | CAB | CBB | H18 | 180.0° | 174.3° |
| C3B | CAB | CBB | H19 | 0.0° | 5.6° |
| CAB | CBB | H18 | H19 | 180.0° | 179.9° |
| H4 | CMA | H5 | H6 | 120.0° | 120.0° |
| H7 | CAA | CBA | H9 | 74.0° | 180.0° |
| H7 | CAA | CBA | H10 | 45.7° | 60.0° |
| H8 | CAA | CBA | H9 | 165.4° | 60.0° |
| H8 | CAA | CBA | H10 | 74.9° | 180.0° |
| H14 | CMB | H15 | H16 | 120.0° | 120.0° |
| H17 | CAB | CBB | H18 | 0.0° | 5.7° |
| H17 | CAB | CBB | H19 | 180.0° | 174.4° |
| H21 | C2C | CMC | H23 | 59.3° | 57.5° |
| H21 | C2C | CMC | H24 | 179.3° | 62.4° |
| H21 | C2C | CMC | H25 | 60.8° | 177.6° |
| H23 | CMC | H24 | H25 | 120.0° | 120.0° |
| H26 | CAC | CBC | H28 | 0.0° | 0.0° |
| H26 | CAC | CBC | H29 | 120.0° | 120.0° |
| H26 | CAC | CBC | H30 | 120.0° | 120.0° |
| H28 | CBC | H29 | H30 | 120.0° | 119.9° |
| H33 | CMD | H34 | H35 | 120.0° | 120.1° |
| H36 | CAD | CBD | H38 | 178.4° | 180.0° |
| H36 | CAD | CBD | H39 | 58.5° | 60.0° |
| H37 | CAD | CBD | H38 | 61.6° | 60.0° |
| H37 | CAD | CBD | H39 | 178.5° | 180.0° |
