A1ADT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBC | CAC | doub | 1.33Å | 1.32Å | |
| CAC | C3C | sing | 1.47Å | 1.48Å | |
| CMC | C2C | sing | 1.51Å | 1.50Å | |
| C3C | C2C | sing | 1.41Å | 1.39Å | Aromatic |
| C3C | C4C | doub | 1.40Å | 1.47Å | Aromatic |
| C2C | C1C | doub | 1.39Å | 1.47Å | Aromatic |
| C4C | CHD | sing | 1.40Å | 1.42Å | |
| C4C | NC | sing | 1.37Å | 1.34Å | Aromatic |
| C1C | CHC | sing | 1.39Å | 1.40Å | |
| C1C | NC | sing | 1.39Å | 1.34Å | Aromatic |
| CHD | C1D | doub | 1.40Å | 1.37Å | |
| OND | C2D | sing | 1.43Å | 1.44Å | |
| CHC | C4B | doub | 1.41Å | 1.47Å | |
| NC | FE | sing | 1.85Å | 2.07Å | |
| C1D | C2D | sing | 1.51Å | 1.54Å | |
| C1D | ND | sing | 1.34Å | 1.36Å | |
| C2D | CMD | sing | 1.53Å | 1.53Å | |
| C2D | C3D | sing | 1.54Å | 1.52Å | |
| CAB | CBB | doub | 1.33Å | 1.32Å | |
| CAB | C3B | sing | 1.47Å | 1.48Å | |
| C4B | C3B | sing | 1.46Å | 1.47Å | |
| C4B | NB | sing | 1.33Å | 1.33Å | |
| CAD | CBD | sing | 1.55Å | 1.52Å | |
| CAD | C3D | sing | 1.53Å | 1.53Å | |
| ND | FE | sing | 1.85Å | 1.94Å | |
| ND | C4D | doub | 1.34Å | 1.40Å | |
| CBD | CGD | sing | 1.51Å | 1.50Å | |
| C3D | C4D | sing | 1.50Å | 1.53Å | |
| C3D | O1D | sing | 1.44Å | 1.45Å | |
| FE | NB | sing | 1.85Å | 2.08Å | |
| FE | NA | sing | 1.85Å | 2.06Å | |
| C3B | C2B | doub | 1.40Å | 1.36Å | |
| NB | C1B | doub | 1.34Å | 1.45Å | |
| C4D | CHA | sing | 1.39Å | 1.35Å | |
| O1D | CGD | sing | 1.34Å | 1.35Å | |
| CGD | O2D | doub | 1.21Å | 1.23Å | |
| C2B | C1B | sing | 1.41Å | 1.39Å | |
| C2B | CMB | sing | 1.51Å | 1.50Å | |
| C1B | CHB | sing | 1.42Å | 1.47Å | |
| CHA | C1A | doub | 1.40Å | 1.43Å | |
| NA | C1A | sing | 1.38Å | 1.35Å | |
| NA | C4A | sing | 1.38Å | 1.35Å | |
| C1A | C2A | sing | 1.39Å | 1.48Å | |
| CHB | C4A | doub | 1.40Å | 1.41Å | |
| C4A | C3A | sing | 1.39Å | 1.47Å | |
| C2A | C3A | doub | 1.39Å | 1.35Å | |
| C2A | CAA | sing | 1.51Å | 1.49Å | |
| C3A | CMA | sing | 1.51Å | 1.51Å | |
| CAA | CBA | sing | 1.53Å | 1.52Å | |
| CBA | CGA | sing | 1.51Å | 1.50Å | |
| O2A | CGA | doub | 1.21Å | 1.24Å | |
| CGA | O1A | sing | 1.34Å | 1.25Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.08Å | 1.08Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAD | H5 | sing | 1.09Å | 1.10Å | |
| CBA | H6 | sing | 1.09Å | 1.10Å | |
| CBA | H7 | sing | 1.09Å | 1.10Å | |
| CBB | H8 | sing | 1.08Å | 1.08Å | |
| CBB | H9 | sing | 1.08Å | 1.08Å | |
| CBC | H10 | sing | 1.08Å | 1.08Å | |
| CBC | H11 | sing | 1.08Å | 1.08Å | |
| CBD | H12 | sing | 1.09Å | 1.10Å | |
| CHA | H13 | sing | 1.08Å | 1.08Å | |
| CHB | H14 | sing | 1.08Å | 1.08Å | |
| CHC | H15 | sing | 1.08Å | 1.08Å | |
| CHD | H16 | sing | 1.08Å | 1.08Å | |
| CMA | H17 | sing | 1.09Å | 1.10Å | |
| CMA | H18 | sing | 1.09Å | 1.10Å | |
| CMA | H19 | sing | 1.09Å | 1.10Å | |
| CMB | H20 | sing | 1.09Å | 1.10Å | |
| CMB | H21 | sing | 1.09Å | 1.10Å | |
| CMB | H22 | 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 | |
| CMD | H26 | sing | 1.09Å | 1.10Å | |
| CMD | H27 | sing | 1.09Å | 1.10Å | |
| CMD | H28 | sing | 1.09Å | 1.10Å | |
| O1A | H29 | sing | 0.97Å | 0.95Å | |
| OND | H30 | sing | 0.97Å | 0.95Å | |
| CAD | H31 | sing | 1.09Å | 1.10Å | |
| CBD | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBC | CAC | C3C | 121.5° | 119.9° |
| CBC | CAC | H4 | 119.3° | 120.0° |
| CAC | CBC | H10 | 120.0° | 120.1° |
| CAC | CBC | H11 | 120.0° | 120.0° |
| CAC | C3C | C2C | 126.4° | 126.3° |
| CAC | C3C | C4C | 122.5° | 126.3° |
| C3C | CAC | H4 | 119.3° | 120.0° |
| CMC | C2C | C3C | 131.8° | 125.9° |
| CMC | C2C | C1C | 125.2° | 125.9° |
| C2C | CMC | H23 | 109.5° | 109.5° |
| C2C | CMC | H24 | 109.5° | 109.5° |
| C2C | CMC | H25 | 109.5° | 109.5° |
| C2C | C3C | C4C | 106.6° | 107.4° |
| C3C | C2C | C1C | 102.9° | 108.2° |
| C3C | C4C | CHD | 124.8° | 137.4° |
| C3C | C4C | NC | 111.1° | 102.1° |
| C2C | C1C | CHC | 122.3° | 136.2° |
| C2C | C1C | NC | 113.5° | 102.1° |
| CHD | C4C | NC | 124.2° | 119.7° |
| C4C | CHD | C1D | 126.1° | 127.2° |
| C4C | CHD | H16 | 117.0° | 116.4° |
| C4C | NC | C1C | 105.9° | 110.5° |
| C4C | NC | FE | 124.7° | 123.3° |
| CHC | C1C | NC | 124.3° | 121.7° |
| C1C | CHC | C4B | 125.7° | 126.4° |
| C1C | CHC | H15 | 117.2° | 116.8° |
| C1C | NC | FE | 129.4° | 123.3° |
| CHD | C1D | C2D | 125.2° | 128.0° |
| CHD | C1D | ND | 125.9° | 124.7° |
| C1D | CHD | H16 | 116.9° | 116.4° |
| OND | C2D | C1D | 110.4° | 111.0° |
| OND | C2D | CMD | 109.1° | 110.8° |
| OND | C2D | C3D | 110.9° | 111.0° |
| C2D | OND | H30 | 109.5° | 114.0° |
| CHC | C4B | C3B | 127.5° | 132.8° |
| CHC | C4B | NB | 122.7° | 122.7° |
| C4B | CHC | H15 | 117.2° | 116.8° |
| NC | FE | ND | 91.7° | 99.7° |
| NC | FE | NB | 87.4° | 98.9° |
| NC | FE | NA | 175.5° | 130.7° |
| C2D | C1D | ND | 108.8° | 106.0° |
| C1D | C2D | CMD | 115.0° | 110.9° |
| C1D | C2D | C3D | 100.9° | 101.7° |
| C1D | ND | FE | 126.1° | 120.8° |
| C1D | ND | C4D | 107.4° | 111.1° |
| CMD | C2D | C3D | 110.4° | 111.0° |
| C2D | CMD | H26 | 109.5° | 109.5° |
| C2D | CMD | H27 | 109.5° | 109.4° |
| C2D | CMD | H28 | 109.5° | 109.4° |
| C2D | C3D | CAD | 114.7° | 110.6° |
| C2D | C3D | C4D | 100.6° | 103.6° |
| C2D | C3D | O1D | 109.9° | 111.7° |
| CBB | CAB | C3B | 121.9° | 120.0° |
| CBB | CAB | H3 | 119.0° | 120.0° |
| CAB | CBB | H8 | 120.0° | 120.0° |
| CAB | CBB | H9 | 120.0° | 120.0° |
| CAB | C3B | C4B | 118.1° | 127.4° |
| CAB | C3B | C2B | 132.1° | 127.5° |
| C3B | CAB | H3 | 119.0° | 120.0° |
| C3B | C4B | NB | 109.8° | 102.9° |
| C4B | C3B | C2B | 109.8° | 105.1° |
| C4B | NB | FE | 129.8° | 123.1° |
| C4B | NB | C1B | 102.8° | 109.6° |
| CBD | CAD | C3D | 107.4° | 101.8° |
| CAD | CBD | CGD | 102.7° | 104.8° |
| CBD | CAD | H5 | 110.0° | 111.0° |
| CAD | CBD | H12 | 111.1° | 110.4° |
| CBD | CAD | H31 | 110.0° | 111.0° |
| CAD | CBD | H32 | 111.1° | 110.4° |
| CAD | C3D | C4D | 115.2° | 112.0° |
| CAD | C3D | O1D | 104.6° | 106.0° |
| C3D | CAD | H5 | 110.0° | 110.9° |
| C3D | CAD | H31 | 110.0° | 111.0° |
| FE | ND | C4D | 126.1° | 121.1° |
| ND | FE | NB | 177.7° | 134.0° |
| ND | FE | NA | 91.4° | 100.1° |
| ND | C4D | C3D | 111.0° | 105.6° |
| ND | C4D | CHA | 124.9° | 124.5° |
| CBD | CGD | O1D | 112.1° | 109.9° |
| CBD | CGD | O2D | 123.7° | 125.0° |
| CGD | CBD | H12 | 111.2° | 110.4° |
| CGD | CBD | H32 | 111.1° | 110.4° |
| C4D | C3D | O1D | 112.1° | 113.0° |
| C3D | C4D | CHA | 123.6° | 129.0° |
| C3D | O1D | CGD | 112.4° | 109.7° |
| NB | FE | NA | 89.7° | 98.8° |
| FE | NB | C1B | 127.5° | 122.6° |
| FE | NA | C1A | 125.1° | 123.5° |
| FE | NA | C4A | 128.4° | 123.6° |
| C3B | C2B | C1B | 103.5° | 106.3° |
| C3B | C2B | CMB | 129.5° | 126.8° |
| NB | C1B | C2B | 114.1° | 104.3° |
| NB | C1B | CHB | 120.4° | 123.4° |
| C4D | CHA | C1A | 126.9° | 128.1° |
| C4D | CHA | H13 | 116.6° | 115.9° |
| O1D | CGD | O2D | 124.1° | 125.0° |
| C1B | C2B | CMB | 126.9° | 126.8° |
| C2B | C1B | CHB | 125.5° | 131.5° |
| C2B | CMB | H20 | 109.5° | 109.5° |
| C2B | CMB | H21 | 109.5° | 109.4° |
| C2B | CMB | H22 | 109.5° | 109.5° |
| C1B | CHB | C4A | 126.9° | 126.3° |
| C1B | CHB | H14 | 116.5° | 116.9° |
| CHA | C1A | NA | 123.3° | 119.6° |
| CHA | C1A | C2A | 125.6° | 137.9° |
| C1A | CHA | H13 | 116.5° | 116.0° |
| C1A | NA | C4A | 106.5° | 109.9° |
| NA | C1A | C2A | 111.2° | 102.0° |
| NA | C4A | CHB | 125.4° | 120.4° |
| NA | C4A | C3A | 110.3° | 101.7° |
| C1A | C2A | C3A | 105.0° | 108.8° |
| C1A | C2A | CAA | 129.8° | 125.6° |
| CHB | C4A | C3A | 124.3° | 136.9° |
| C4A | CHB | H14 | 116.6° | 116.8° |
| C4A | C3A | C2A | 107.0° | 107.7° |
| C4A | C3A | CMA | 126.4° | 126.2° |
| C3A | C2A | CAA | 125.2° | 125.7° |
| C2A | C3A | CMA | 126.6° | 126.1° |
| C2A | CAA | CBA | 114.9° | 109.5° |
| C2A | CAA | H1 | 108.1° | 109.5° |
| C2A | CAA | H2 | 108.1° | 109.4° |
| C3A | CMA | H17 | 109.5° | 109.5° |
| C3A | CMA | H18 | 109.5° | 109.4° |
| C3A | CMA | H19 | 109.4° | 109.5° |
| CAA | CBA | CGA | 107.9° | 109.5° |
| CBA | CAA | H1 | 108.1° | 109.5° |
| CBA | CAA | H2 | 108.1° | 109.4° |
| CAA | CBA | H6 | 109.9° | 109.5° |
| CAA | CBA | H7 | 109.9° | 109.5° |
| CBA | CGA | O2A | 119.8° | 120.0° |
| CBA | CGA | O1A | 113.4° | 120.0° |
| CGA | CBA | H6 | 109.9° | 109.5° |
| CGA | CBA | H7 | 109.9° | 109.5° |
| O2A | CGA | O1A | 126.8° | 120.0° |
| CGA | O1A | H29 | 109.5° | 117.0° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H5 | CAD | H31 | 109.5° | 110.8° |
| H6 | CBA | H7 | 109.4° | 109.4° |
| H8 | CBB | H9 | 120.0° | 120.0° |
| H10 | CBC | H11 | 120.0° | 120.0° |
| H12 | CBD | H32 | 109.5° | 110.4° |
| H17 | CMA | H18 | 109.5° | 109.5° |
| H17 | CMA | H19 | 109.5° | 109.5° |
| H18 | CMA | H19 | 109.5° | 109.5° |
| H20 | CMB | H21 | 109.5° | 109.5° |
| H20 | CMB | H22 | 109.5° | 109.5° |
| H21 | CMB | H22 | 109.4° | 109.4° |
| H23 | CMC | H24 | 109.5° | 109.5° |
| H23 | CMC | H25 | 109.5° | 109.5° |
| H24 | CMC | H25 | 109.5° | 109.4° |
| H26 | CMD | H27 | 109.5° | 109.5° |
| H26 | CMD | H28 | 109.4° | 109.5° |
| H27 | CMD | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBC | CAC | C3C | H4 | 180.0° | 180.0° |
| CBC | CAC | C3C | C2C | 56.7° | 50.0° |
| CBC | CAC | C3C | C4C | 150.1° | 130.0° |
| CAC | CBC | H10 | H11 | 180.0° | 180.0° |
| CAC | C3C | C2C | CMC | 23.9° | 2.4° |
| CAC | C3C | C2C | C4C | 156.6° | 180.0° |
| CAC | C3C | C2C | C1C | 156.5° | 177.6° |
| CAC | C3C | C4C | CHD | 22.0° | 30.7° |
| CAC | C3C | C4C | NC | 157.8° | 160.1° |
| C3C | CAC | CBC | H10 | 180.0° | 0.0° |
| C3C | CAC | CBC | H11 | 0.0° | 180.0° |
| CMC | C2C | C3C | C1C | 179.7° | 179.9° |
| CMC | C2C | C3C | C4C | 179.5° | 177.6° |
| CMC | C2C | C1C | CHC | 1.1° | 18.9° |
| CMC | C2C | C1C | NC | 179.4° | 164.0° |
| C2C | CMC | H23 | H24 | 120.0° | 120.0° |
| C2C | CMC | H23 | H25 | 120.0° | 120.1° |
| C2C | CMC | H24 | H25 | 120.0° | 120.0° |
| C2C | C3C | C4C | CHD | 179.8° | 149.3° |
| C2C | C3C | C4C | NC | 0.0° | 19.9° |
| C3C | C2C | C1C | CHC | 179.2° | 161.0° |
| C3C | C2C | C1C | NC | 0.3° | 16.1° |
| C2C | C3C | CAC | H4 | 123.3° | 130.0° |
| C3C | C2C | CMC | H23 | 90.2° | 90.0° |
| C3C | C2C | CMC | H24 | 149.8° | 29.9° |
| C3C | C2C | CMC | H25 | 29.8° | 149.9° |
| C4C | C3C | C2C | C1C | 0.2° | 2.3° |
| C3C | C4C | CHD | NC | 179.8° | 167.8° |
| C3C | C4C | NC | C1C | 0.2° | 31.7° |
| C3C | C4C | CHD | C1D | 179.4° | 177.0° |
| C3C | C4C | NC | FE | 179.8° | 167.4° |
| C4C | C3C | CAC | H4 | 29.9° | 50.0° |
| C3C | C4C | CHD | H16 | 0.6° | 3.1° |
| C2C | C1C | NC | C4C | 0.3° | 30.3° |
| C2C | C1C | CHC | NC | 179.5° | 176.7° |
| C2C | C1C | CHC | C4B | 170.6° | 178.2° |
| C2C | C1C | NC | FE | 179.9° | 168.8° |
| C2C | C1C | CHC | H15 | 9.4° | 1.9° |
| C1C | C2C | CMC | H23 | 90.2° | 90.0° |
| C1C | C2C | CMC | H24 | 29.8° | 150.0° |
| C1C | C2C | CMC | H25 | 149.8° | 30.0° |
| CHD | C4C | NC | C1C | 179.6° | 139.9° |
| C4C | CHD | C1D | H16 | 180.0° | 180.0° |
| CHD | C4C | NC | FE | 0.0° | 21.0° |
| C4C | CHD | C1D | C2D | 171.4° | 178.2° |
| C4C | CHD | C1D | ND | 8.2° | 12.9° |
| C4C | NC | C1C | CHC | 179.2° | 147.3° |
| C4C | NC | C1C | FE | 179.6° | 160.9° |
| NC | C4C | CHD | C1D | 0.4° | 9.1° |
| C4C | NC | FE | ND | 4.2° | 13.0° |
| C4C | NC | FE | NB | 173.7° | 150.8° |
| C4C | NC | FE | NA | 138.3° | 99.5° |
| NC | C4C | CHD | H16 | 179.6° | 170.9° |
| C1C | CHC | C4B | H15 | 180.0° | 179.9° |
| CHC | C1C | NC | FE | 0.3° | 13.5° |
| C1C | CHC | C4B | C3B | 171.1° | 179.1° |
| C1C | CHC | C4B | NB | 9.6° | 18.2° |
| NC | C1C | CHC | C4B | 8.9° | 1.5° |
| C1C | NC | FE | ND | 176.3° | 145.5° |
| C1C | NC | FE | NB | 5.7° | 7.7° |
| C1C | NC | FE | NA | 42.2° | 102.0° |
| NC | C1C | CHC | H15 | 171.1° | 178.5° |
| CHD | C1D | C2D | OND | 29.4° | 28.6° |
| CHD | C1D | C2D | ND | 179.7° | 167.5° |
| CHD | C1D | C2D | CMD | 94.6° | 95.1° |
| CHD | C1D | C2D | C3D | 146.7° | 146.8° |
| CHD | C1D | ND | FE | 14.7° | 18.9° |
| CHD | C1D | ND | C4D | 158.4° | 132.1° |
| OND | C2D | C1D | CMD | 124.0° | 123.7° |
| OND | C2D | C1D | C3D | 117.3° | 118.2° |
| OND | C2D | C1D | ND | 150.9° | 138.9° |
| OND | C2D | CMD | C3D | 122.1° | 123.9° |
| OND | C2D | C3D | CAD | 22.3° | 0.7° |
| OND | C2D | C3D | C4D | 146.5° | 119.4° |
| OND | C2D | C3D | O1D | 95.2° | 118.6° |
| OND | C2D | CMD | H26 | 180.0° | 62.4° |
| OND | C2D | CMD | H27 | 60.0° | 57.7° |
| OND | C2D | CMD | H28 | 60.0° | 177.6° |
| CHC | C4B | C3B | CAB | 0.4° | 33.8° |
| CHC | C4B | C3B | NB | 179.4° | 165.2° |
| CHC | C4B | NB | FE | 1.0° | 22.7° |
| CHC | C4B | C3B | C2B | 179.3° | 146.2° |
| CHC | C4B | NB | C1B | 179.4° | 133.5° |
| NC | FE | ND | C1D | 11.0° | 6.4° |
| NC | FE | NB | C4B | 5.0° | 9.9° |
| NC | FE | ND | NB | 66.0° | 112.6° |
| NC | FE | ND | NA | 176.8° | 134.6° |
| NC | FE | ND | C4D | 160.9° | 141.7° |
| NC | FE | NB | NA | 176.7° | 133.8° |
| NC | FE | NB | C1B | 174.5° | 143.3° |
| NC | FE | NA | C1A | 124.8° | 103.1° |
| NC | FE | NA | C4A | 56.9° | 98.8° |
| C1D | C2D | CMD | C3D | 113.3° | 112.3° |
| C1D | C2D | C3D | CAD | 94.7° | 118.9° |
| C2D | C1D | ND | FE | 164.9° | 173.0° |
| C2D | C1D | ND | C4D | 21.9° | 35.9° |
| C1D | C2D | C3D | C4D | 29.6° | 1.3° |
| C1D | C2D | C3D | O1D | 147.8° | 123.2° |
| C2D | C1D | CHD | H16 | 8.6° | 1.8° |
| C1D | C2D | CMD | H26 | 55.4° | 61.4° |
| C1D | C2D | CMD | H27 | 64.6° | 178.5° |
| C1D | C2D | CMD | H28 | 175.4° | 58.6° |
| C1D | C2D | OND | H30 | 180.0° | 61.4° |
| ND | C1D | C2D | CMD | 85.1° | 97.4° |
| ND | C1D | C2D | C3D | 33.6° | 20.7° |
| C1D | ND | FE | C4D | 171.9° | 148.2° |
| C1D | ND | C4D | C3D | 1.2° | 34.8° |
| C1D | ND | FE | NB | 55.0° | 106.2° |
| C1D | ND | FE | NA | 172.2° | 141.1° |
| C1D | ND | C4D | CHA | 173.9° | 135.0° |
| ND | C1D | CHD | H16 | 171.8° | 167.1° |
| CMD | C2D | C3D | CAD | 143.3° | 123.0° |
| CMD | C2D | C3D | C4D | 92.5° | 116.8° |
| CMD | C2D | C3D | O1D | 25.8° | 5.2° |
| C2D | CMD | H26 | H27 | 120.0° | 120.0° |
| C2D | CMD | H26 | H28 | 120.0° | 120.0° |
| C2D | CMD | H27 | H28 | 120.0° | 119.9° |
| CMD | C2D | OND | H30 | 52.7° | 62.4° |
| C2D | C3D | CAD | CBD | 112.0° | 146.6° |
| C2D | C3D | CAD | C4D | 116.1° | 115.0° |
| C2D | C3D | CAD | O1D | 120.5° | 121.3° |
| C2D | C3D | C4D | ND | 19.6° | 18.5° |
| C2D | C3D | C4D | O1D | 116.7° | 121.1° |
| C2D | C3D | C4D | CHA | 153.3° | 150.7° |
| C2D | C3D | O1D | CGD | 118.6° | 149.3° |
| C2D | C3D | CAD | H5 | 128.3° | 28.5° |
| C3D | C2D | CMD | H26 | 57.9° | 173.8° |
| C3D | C2D | CMD | H27 | 177.9° | 66.2° |
| C3D | C2D | CMD | H28 | 62.1° | 53.7° |
| C3D | C2D | OND | H30 | 69.1° | 173.8° |
| C2D | C3D | CAD | H31 | 7.6° | 95.2° |
| CBB | CAB | C3B | H3 | 180.0° | 180.0° |
| CBB | CAB | C3B | C4B | 129.7° | 0.0° |
| CBB | CAB | C3B | C2B | 50.8° | 180.0° |
| CAB | CBB | H8 | H9 | 180.0° | 180.0° |
| CAB | C3B | C4B | C2B | 179.7° | 180.0° |
| CAB | C3B | C4B | NB | 179.8° | 161.0° |
| CAB | C3B | C2B | C1B | 179.7° | 179.3° |
| CAB | C3B | C2B | CMB | 0.5° | 0.7° |
| C3B | CAB | CBB | H8 | 180.0° | 0.0° |
| C3B | CAB | CBB | H9 | 0.0° | 180.0° |
| C3B | C4B | NB | FE | 179.6° | 170.2° |
| C3B | C4B | NB | C1B | 0.0° | 33.6° |
| C4B | C3B | C2B | C1B | 0.1° | 0.8° |
| C4B | C3B | C2B | CMB | 179.9° | 179.3° |
| C4B | C3B | CAB | H3 | 50.3° | 180.0° |
| C3B | C4B | CHC | H15 | 8.9° | 1.0° |
| C4B | NB | FE | ND | 71.1° | 103.0° |
| C4B | NB | FE | C1B | 179.5° | 153.2° |
| C4B | NB | FE | NA | 171.7° | 143.7° |
| NB | C4B | C3B | C2B | 0.1° | 19.0° |
| C4B | NB | C1B | C2B | 0.1° | 34.6° |
| C4B | NB | C1B | CHB | 179.6° | 136.5° |
| NB | C4B | CHC | H15 | 170.4° | 161.8° |
| CBD | CAD | C3D | H5 | 119.7° | 118.2° |
| CBD | CAD | C3D | H31 | 119.7° | 118.2° |
| CAD | CBD | CGD | H12 | 118.9° | 118.8° |
| CAD | CBD | CGD | H32 | 118.9° | 118.8° |
| CBD | CAD | C3D | C4D | 131.9° | 98.4° |
| CBD | CAD | C3D | O1D | 8.5° | 25.3° |
| CAD | CBD | CGD | O1D | 5.8° | 1.9° |
| CAD | CBD | CGD | O2D | 174.3° | 178.1° |
| CBD | CAD | H5 | H31 | 120.9° | 123.8° |
| CAD | CBD | H12 | H32 | 123.1° | 122.3° |
| CAD | C3D | C4D | ND | 104.3° | 137.7° |
| C3D | CAD | CBD | CGD | 8.5° | 14.4° |
| CAD | C3D | C4D | O1D | 119.4° | 119.7° |
| CAD | C3D | C4D | CHA | 82.8° | 31.5° |
| CAD | C3D | O1D | CGD | 5.0° | 28.7° |
| C3D | CAD | H5 | H31 | 120.9° | 123.7° |
| C3D | CAD | CBD | H12 | 110.4° | 133.2° |
| C3D | CAD | CBD | H32 | 127.5° | 104.5° |
| FE | ND | C4D | C3D | 174.3° | 174.2° |
| ND | FE | NB | NA | 117.2° | 113.3° |
| ND | FE | NB | C1B | 108.4° | 103.8° |
| FE | ND | C4D | CHA | 12.9° | 16.0° |
| ND | FE | NA | C1A | 9.3° | 9.2° |
| ND | FE | NA | C4A | 169.0° | 148.9° |
| ND | C4D | C3D | CHA | 172.9° | 169.2° |
| ND | C4D | C3D | O1D | 136.3° | 102.6° |
| C4D | ND | FE | NB | 133.1° | 105.7° |
| C4D | ND | FE | NA | 15.9° | 7.1° |
| ND | C4D | CHA | C1A | 3.1° | 8.6° |
| ND | C4D | CHA | H13 | 176.9° | 171.4° |
| CBD | CGD | O1D | C3D | 0.5° | 19.1° |
| CBD | CGD | O1D | O2D | 179.9° | 180.0° |
| CGD | CBD | CAD | H5 | 111.1° | 103.7° |
| CGD | CBD | H12 | H32 | 123.2° | 122.3° |
| CGD | CBD | CAD | H31 | 128.2° | 132.5° |
| C4D | C3D | O1D | CGD | 130.5° | 94.4° |
| C3D | C4D | CHA | C1A | 168.8° | 175.9° |
| C4D | C3D | CAD | H5 | 12.2° | 143.5° |
| C3D | C4D | CHA | H13 | 11.2° | 4.1° |
| C4D | C3D | CAD | H31 | 108.4° | 19.8° |
| O1D | C3D | C4D | CHA | 36.6° | 88.2° |
| C3D | O1D | CGD | O2D | 179.6° | 160.9° |
| O1D | C3D | CAD | H5 | 111.2° | 92.8° |
| O1D | C3D | CAD | H31 | 128.1° | 143.5° |
| FE | NB | C1B | C2B | 179.7° | 169.0° |
| FE | NB | C1B | CHB | 0.8° | 19.8° |
| NB | FE | NA | C1A | 172.8° | 147.1° |
| NB | FE | NA | C4A | 9.0° | 11.0° |
| NA | FE | NB | C1B | 8.8° | 9.5° |
| FE | NA | C1A | CHA | 1.1° | 17.4° |
| FE | NA | C1A | C4A | 178.5° | 160.7° |
| FE | NA | C1A | C2A | 179.6° | 169.1° |
| FE | NA | C4A | CHB | 0.6° | 22.3° |
| FE | NA | C4A | C3A | 179.2° | 167.3° |
| C3B | C2B | C1B | NB | 0.1° | 20.3° |
| C3B | C2B | C1B | CMB | 179.7° | 180.0° |
| C3B | C2B | C1B | CHB | 179.6° | 149.9° |
| C2B | C3B | CAB | H3 | 129.3° | 0.0° |
| C3B | C2B | CMB | H20 | 180.0° | 90.0° |
| C3B | C2B | CMB | H21 | 60.0° | 30.0° |
| C3B | C2B | CMB | H22 | 60.0° | 150.0° |
| NB | C1B | C2B | CHB | 179.5° | 170.1° |
| NB | C1B | C2B | CMB | 179.9° | 159.7° |
| NB | C1B | CHB | C4A | 12.4° | 9.2° |
| NB | C1B | CHB | H14 | 167.6° | 170.7° |
| C4D | CHA | C1A | H13 | 180.0° | 180.0° |
| C4D | CHA | C1A | NA | 10.3° | 9.8° |
| C4D | CHA | C1A | C2A | 170.6° | 179.8° |
| O1D | CGD | CBD | H12 | 113.1° | 116.9° |
| O1D | CGD | CBD | H32 | 124.7° | 120.7° |
| O2D | CGD | CBD | H12 | 66.8° | 63.1° |
| O2D | CGD | CBD | H32 | 55.4° | 59.3° |
| C2B | C1B | CHB | C4A | 167.1° | 177.8° |
| C2B | C1B | CHB | H14 | 12.9° | 2.1° |
| C1B | C2B | CMB | H20 | 0.3° | 90.0° |
| C1B | C2B | CMB | H21 | 120.4° | 150.0° |
| C1B | C2B | CMB | H22 | 119.7° | 30.0° |
| CMB | C2B | C1B | CHB | 0.7° | 30.1° |
| C2B | CMB | H20 | H21 | 120.0° | 120.0° |
| C2B | CMB | H20 | H22 | 120.0° | 120.0° |
| C2B | CMB | H21 | H22 | 120.0° | 120.0° |
| C1B | CHB | C4A | NA | 12.9° | 13.4° |
| C1B | CHB | C4A | H14 | 180.0° | 179.9° |
| C1B | CHB | C4A | C3A | 167.4° | 179.5° |
| CHA | C1A | NA | C2A | 179.2° | 173.4° |
| CHA | C1A | NA | C4A | 179.7° | 143.3° |
| CHA | C1A | C2A | C3A | 179.7° | 155.6° |
| CHA | C1A | C2A | CAA | 1.2° | 24.5° |
| C1A | NA | C4A | CHB | 179.1° | 138.4° |
| C1A | NA | C4A | C3A | 0.7° | 32.0° |
| NA | C1A | C2A | C3A | 1.0° | 15.9° |
| NA | C1A | C2A | CAA | 179.6° | 164.1° |
| NA | C1A | CHA | H13 | 169.7° | 170.2° |
| C4A | NA | C1A | C2A | 1.1° | 30.2° |
| NA | C4A | CHB | C3A | 179.7° | 166.1° |
| NA | C4A | C3A | C2A | 0.0° | 20.5° |
| NA | C4A | C3A | CMA | 179.6° | 159.6° |
| NA | C4A | CHB | H14 | 167.1° | 166.7° |
| C1A | C2A | C3A | C4A | 0.6° | 3.0° |
| C1A | C2A | C3A | CAA | 178.7° | 180.0° |
| C1A | C2A | C3A | CMA | 179.8° | 177.1° |
| C1A | C2A | CAA | CBA | 83.3° | 85.0° |
| C1A | C2A | CAA | H1 | 156.0° | 35.0° |
| C1A | C2A | CAA | H2 | 37.5° | 155.0° |
| C2A | C1A | CHA | H13 | 9.4° | 0.1° |
| CHB | C4A | C3A | C2A | 179.7° | 147.3° |
| CHB | C4A | C3A | CMA | 0.7° | 32.6° |
| C4A | C3A | C2A | CMA | 179.6° | 179.9° |
| C4A | C3A | C2A | CAA | 179.2° | 177.0° |
| C3A | C4A | CHB | H14 | 12.6° | 0.5° |
| C4A | C3A | CMA | H17 | 90.2° | 179.9° |
| C4A | C3A | CMA | H18 | 149.7° | 60.1° |
| C4A | C3A | CMA | H19 | 29.8° | 59.9° |
| C3A | C2A | CAA | CBA | 98.4° | 95.0° |
| C3A | C2A | CAA | H1 | 22.3° | 145.0° |
| C3A | C2A | CAA | H2 | 140.8° | 25.0° |
| C2A | C3A | CMA | H17 | 90.2° | 0.1° |
| C2A | C3A | CMA | H18 | 29.8° | 120.1° |
| C2A | C3A | CMA | H19 | 149.8° | 120.0° |
| CAA | C2A | C3A | CMA | 1.2° | 2.9° |
| C2A | CAA | CBA | H1 | 120.8° | 120.0° |
| C2A | CAA | CBA | H2 | 120.8° | 120.0° |
| C2A | CAA | CBA | CGA | 178.8° | 180.0° |
| C2A | CAA | H1 | H2 | 117.6° | 120.0° |
| C2A | CAA | CBA | H6 | 59.1° | 59.9° |
| C2A | CAA | CBA | H7 | 61.4° | 60.0° |
| C3A | CMA | H17 | H18 | 120.0° | 120.0° |
| C3A | CMA | H17 | H19 | 120.0° | 120.0° |
| C3A | CMA | H18 | H19 | 120.0° | 120.0° |
| CAA | CBA | CGA | H6 | 119.8° | 120.0° |
| CAA | CBA | CGA | H7 | 119.8° | 120.0° |
| CAA | CBA | CGA | O2A | 54.5° | 0.0° |
| CAA | CBA | CGA | O1A | 125.3° | 180.0° |
| CBA | CAA | H1 | H2 | 117.5° | 120.0° |
| CAA | CBA | H6 | H7 | 120.7° | 120.0° |
| CBA | CGA | O2A | O1A | 179.7° | 180.0° |
| CGA | CBA | CAA | H1 | 60.4° | 60.0° |
| CGA | CBA | CAA | H2 | 58.0° | 60.0° |
| CGA | CBA | H6 | H7 | 120.7° | 120.0° |
| CBA | CGA | O1A | H29 | 179.7° | 180.0° |
| O2A | CGA | CBA | H6 | 65.3° | 120.0° |
| O2A | CGA | CBA | H7 | 174.2° | 120.0° |
| O2A | CGA | O1A | H29 | 0.0° | 0.0° |
| O1A | CGA | CBA | H6 | 114.9° | 60.0° |
| O1A | CGA | CBA | H7 | 5.5° | 60.0° |
| H1 | CAA | CBA | H6 | 179.9° | 180.0° |
| H1 | CAA | CBA | H7 | 59.4° | 60.0° |
| H2 | CAA | CBA | H6 | 61.7° | 60.0° |
| H2 | CAA | CBA | H7 | 177.8° | 180.0° |
| H3 | CAB | CBB | H8 | 0.1° | 180.0° |
| H3 | CAB | CBB | H9 | 180.0° | 0.0° |
| H4 | CAC | CBC | H10 | 0.0° | 180.0° |
| H4 | CAC | CBC | H11 | 180.0° | 0.0° |
| H5 | CAD | CBD | H12 | 129.9° | 15.1° |
| H5 | CAD | CBD | H32 | 7.8° | 137.4° |
| H12 | CBD | CAD | H31 | 9.3° | 108.7° |
| H17 | CMA | H18 | H19 | 120.0° | 120.0° |
| H20 | CMB | H21 | H22 | 120.0° | 120.0° |
| H23 | CMC | H24 | H25 | 120.0° | 120.0° |
| H26 | CMD | H27 | H28 | 120.0° | 120.0° |
| H31 | CAD | CBD | H32 | 112.9° | 13.7° |
