HIR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBB | CAB | doub | 1.32Å | 1.32Å | |
| CAB | C3B | sing | 1.52Å | 1.52Å | |
| CMB | C2B | sing | 1.54Å | 1.54Å | |
| C3B | C2B | doub | 1.33Å | 1.33Å | |
| C3B | C4B | sing | 1.42Å | 1.42Å | |
| CMC | C2C | sing | 1.55Å | 1.55Å | |
| C2B | C1B | sing | 1.46Å | 1.46Å | |
| CHC | C4B | sing | 1.35Å | 1.35Å | |
| CHC | C1C | doub | 1.36Å | 1.36Å | |
| C4B | NB | doub | 1.36Å | 1.36Å | |
| C2C | C1C | sing | 1.46Å | 1.46Å | |
| C2C | C3C | doub | 1.33Å | 1.33Å | |
| C1C | NC | sing | 1.39Å | 1.39Å | |
| C1B | NB | sing | 1.39Å | 1.39Å | |
| C1B | CHB | doub | 1.40Å | 1.40Å | |
| NB | IR | sing | 1.98Å | 1.98Å | |
| C3C | CAC | sing | 1.53Å | 1.53Å | |
| C3C | C4C | sing | 1.45Å | 1.45Å | |
| CHB | C4A | sing | 1.39Å | 1.39Å | |
| CAC | CBC | doub | 1.33Å | 1.33Å | |
| NC | C4C | sing | 1.38Å | 1.38Å | |
| NC | IR | sing | 2.06Å | 2.06Å | |
| C4C | CHD | doub | 1.37Å | 1.37Å | |
| IR | CH3 | sing | 2.15Å | 2.15Å | |
| IR | NA | sing | 2.11Å | 2.11Å | |
| IR | ND | sing | 2.06Å | 2.06Å | |
| C4A | NA | sing | 1.38Å | 1.38Å | Aromatic |
| C4A | C3A | doub | 1.46Å | 1.46Å | Aromatic |
| CH3 | OH | doub | 1.28Å | 1.28Å | |
| NA | C1A | sing | 1.39Å | 1.39Å | Aromatic |
| CMA | C3A | sing | 1.54Å | 1.54Å | |
| CHD | C1D | sing | 1.38Å | 1.38Å | |
| C3A | C2A | sing | 1.34Å | 1.34Å | Aromatic |
| ND | C1D | doub | 1.38Å | 1.38Å | |
| ND | C4D | sing | 1.39Å | 1.39Å | |
| C1D | C2D | sing | 1.47Å | 1.47Å | |
| C1A | C2A | doub | 1.45Å | 1.45Å | Aromatic |
| C1A | CHA | sing | 1.38Å | 1.38Å | |
| C2A | CAA | sing | 1.55Å | 1.55Å | |
| C4D | CHA | doub | 1.39Å | 1.39Å | |
| C4D | C3D | sing | 1.46Å | 1.46Å | |
| C2D | C3D | doub | 1.33Å | 1.33Å | |
| C2D | CMD | sing | 1.56Å | 1.56Å | |
| CAA | CBA | sing | 1.54Å | 1.54Å | |
| C3D | CAD | sing | 1.54Å | 1.54Å | |
| CBA | CGA | sing | 1.51Å | 1.51Å | |
| CAD | CBD | sing | 1.53Å | 1.53Å | |
| O1A | CGA | doub | 1.26Å | 1.26Å | |
| CGA | O2A | sing | 1.26Å | 1.26Å | |
| CBD | CGD | sing | 1.51Å | 1.51Å | |
| CGD | O2D | doub | 1.26Å | 1.26Å | |
| CGD | O1D | sing | 1.26Å | 1.26Å | |
| CAA | H2 | sing | 1.10Å | 1.10Å | |
| CAA | H3 | sing | 1.10Å | 1.10Å | |
| CAB | H4 | sing | 1.08Å | 1.08Å | |
| CAC | H5 | sing | 1.08Å | 1.08Å | |
| CAD | H6 | sing | 1.10Å | 1.10Å | |
| CAD | H7 | sing | 1.10Å | 1.10Å | |
| CBA | H8 | sing | 1.10Å | 1.10Å | |
| CBA | H9 | sing | 1.10Å | 1.10Å | |
| CBB | H10 | sing | 1.08Å | 1.08Å | |
| CBB | H11 | sing | 1.08Å | 1.08Å | |
| CBC | H12 | sing | 1.08Å | 1.08Å | |
| CBC | H13 | sing | 1.08Å | 1.08Å | |
| CBD | H14 | sing | 1.10Å | 1.10Å | |
| CBD | H15 | sing | 1.10Å | 1.10Å | |
| CHA | H16 | sing | 1.08Å | 1.08Å | |
| CHB | H17 | sing | 1.08Å | 1.08Å | |
| CHC | H18 | sing | 1.08Å | 1.08Å | |
| CHD | H19 | sing | 1.08Å | 1.08Å | |
| CMA | H20 | sing | 1.10Å | 1.10Å | |
| CMA | H21 | sing | 1.10Å | 1.10Å | |
| CMA | H22 | sing | 1.10Å | 1.10Å | |
| CMB | H23 | sing | 1.10Å | 1.10Å | |
| CMB | H24 | sing | 1.10Å | 1.10Å | |
| CMB | H25 | sing | 1.10Å | 1.10Å | |
| CMC | H26 | sing | 1.10Å | 1.10Å | |
| CMC | H27 | sing | 1.10Å | 1.10Å | |
| CMC | H28 | sing | 1.10Å | 1.10Å | |
| CMD | H29 | sing | 1.10Å | 1.10Å | |
| CMD | H30 | sing | 1.10Å | 1.10Å | |
| CMD | H31 | sing | 1.10Å | 1.10Å | |
| O1D | H32 | sing | 0.95Å | 0.95Å | |
| O2A | H33 | sing | 0.95Å | 0.95Å | |
| CH3 | HCH3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBB | CAB | C3B | 118.1° | 118.1° |
| CBB | CAB | H4 | 120.9° | 121.0° |
| CAB | CBB | H10 | 120.0° | 120.0° |
| CAB | CBB | H11 | 120.0° | 120.0° |
| CAB | C3B | C2B | 129.3° | 129.3° |
| CAB | C3B | C4B | 120.8° | 120.8° |
| C3B | CAB | H4 | 121.0° | 120.9° |
| CMB | C2B | C3B | 126.6° | 126.6° |
| CMB | C2B | C1B | 126.8° | 126.8° |
| C2B | CMB | H23 | 109.5° | 109.5° |
| C2B | CMB | H24 | 109.4° | 109.5° |
| C2B | CMB | H25 | 109.5° | 109.5° |
| C2B | C3B | C4B | 109.9° | 109.9° |
| C3B | C2B | C1B | 106.5° | 106.5° |
| C3B | C4B | CHC | 122.9° | 122.9° |
| C3B | C4B | NB | 108.1° | 108.1° |
| CMC | C2C | C1C | 128.6° | 128.6° |
| CMC | C2C | C3C | 125.4° | 125.4° |
| C2C | CMC | H26 | 109.5° | 109.5° |
| C2C | CMC | H27 | 109.5° | 109.5° |
| C2C | CMC | H28 | 109.5° | 109.5° |
| C2B | C1B | NB | 107.0° | 107.0° |
| C2B | C1B | CHB | 127.3° | 127.3° |
| C4B | CHC | C1C | 126.1° | 126.1° |
| CHC | C4B | NB | 128.9° | 128.9° |
| C4B | CHC | H18 | 116.9° | 116.9° |
| CHC | C1C | C2C | 126.8° | 126.8° |
| CHC | C1C | NC | 124.2° | 124.2° |
| C1C | CHC | H18 | 116.9° | 116.9° |
| C4B | NB | C1B | 108.4° | 108.4° |
| C4B | NB | IR | 124.3° | 124.3° |
| C1C | C2C | C3C | 106.0° | 106.0° |
| C2C | C1C | NC | 108.9° | 108.9° |
| C2C | C3C | CAC | 124.0° | 124.0° |
| C2C | C3C | C4C | 110.2° | 110.2° |
| C1C | NC | C4C | 108.0° | 108.0° |
| C1C | NC | IR | 124.5° | 124.5° |
| NB | C1B | CHB | 125.7° | 125.7° |
| C1B | NB | IR | 127.1° | 127.1° |
| C1B | CHB | C4A | 126.8° | 126.8° |
| C1B | CHB | H17 | 116.6° | 116.6° |
| NB | IR | NC | 91.2° | 91.2° |
| NB | IR | CH3 | 88.9° | 88.9° |
| NB | IR | NA | 90.7° | 90.7° |
| NB | IR | ND | 177.4° | 177.4° |
| CAC | C3C | C4C | 125.8° | 125.8° |
| C3C | CAC | CBC | 116.3° | 116.3° |
| C3C | CAC | H5 | 121.9° | 121.9° |
| C3C | C4C | NC | 106.9° | 106.9° |
| C3C | C4C | CHD | 127.7° | 127.7° |
| CHB | C4A | NA | 124.8° | 124.8° |
| CHB | C4A | C3A | 128.4° | 128.4° |
| C4A | CHB | H17 | 116.6° | 116.6° |
| CBC | CAC | H5 | 121.9° | 121.9° |
| CAC | CBC | H12 | 120.0° | 120.0° |
| CAC | CBC | H13 | 120.0° | 120.0° |
| C4C | NC | IR | 126.9° | 126.9° |
| NC | C4C | CHD | 125.4° | 125.4° |
| NC | IR | CH3 | 83.1° | 83.1° |
| NC | IR | NA | 176.8° | 176.8° |
| NC | IR | ND | 89.1° | 89.1° |
| C4C | CHD | C1D | 126.2° | 126.2° |
| C4C | CHD | H19 | 116.9° | 116.9° |
| CH3 | IR | NA | 94.5° | 94.5° |
| CH3 | IR | ND | 88.6° | 88.6° |
| IR | CH3 | OH | 132.9° | 132.9° |
| IR | CH3 | HCH3 | 113.6° | 113.6° |
| NA | IR | ND | 88.9° | 88.9° |
| IR | NA | C4A | 124.8° | 124.8° |
| IR | NA | C1A | 126.2° | 126.2° |
| IR | ND | C1D | 125.4° | 125.4° |
| IR | ND | C4D | 126.2° | 126.2° |
| NA | C4A | C3A | 106.8° | 106.8° |
| C4A | NA | C1A | 109.0° | 109.0° |
| C4A | C3A | CMA | 127.5° | 127.5° |
| C4A | C3A | C2A | 108.8° | 108.8° |
| OH | CH3 | HCH3 | 113.6° | 113.6° |
| NA | C1A | C2A | 107.4° | 107.4° |
| NA | C1A | CHA | 125.4° | 125.4° |
| CMA | C3A | C2A | 123.7° | 123.7° |
| C3A | CMA | H20 | 109.5° | 109.5° |
| C3A | CMA | H21 | 109.4° | 109.4° |
| C3A | CMA | H22 | 109.4° | 109.4° |
| CHD | C1D | ND | 126.7° | 126.7° |
| CHD | C1D | C2D | 125.9° | 125.9° |
| C1D | CHD | H19 | 116.9° | 116.9° |
| C3A | C2A | C1A | 108.0° | 108.0° |
| C3A | C2A | CAA | 125.5° | 125.5° |
| C1D | ND | C4D | 108.4° | 108.4° |
| ND | C1D | C2D | 107.4° | 107.4° |
| ND | C4D | CHA | 126.7° | 126.7° |
| ND | C4D | C3D | 107.7° | 107.7° |
| C1D | C2D | C3D | 108.4° | 108.4° |
| C1D | C2D | CMD | 127.8° | 127.8° |
| C2A | C1A | CHA | 127.2° | 127.2° |
| C1A | C2A | CAA | 126.4° | 126.4° |
| C1A | CHA | C4D | 126.5° | 126.5° |
| C1A | CHA | H16 | 116.7° | 116.7° |
| C2A | CAA | CBA | 112.6° | 112.6° |
| C2A | CAA | H2 | 108.7° | 108.7° |
| C2A | CAA | H3 | 108.7° | 108.7° |
| CHA | C4D | C3D | 125.6° | 125.6° |
| C4D | CHA | H16 | 116.7° | 116.7° |
| C4D | C3D | C2D | 108.1° | 108.1° |
| C4D | C3D | CAD | 127.3° | 127.3° |
| C3D | C2D | CMD | 123.8° | 123.8° |
| C2D | C3D | CAD | 124.5° | 124.5° |
| C2D | CMD | H29 | 109.5° | 109.5° |
| C2D | CMD | H30 | 109.5° | 109.5° |
| C2D | CMD | H31 | 109.5° | 109.5° |
| CAA | CBA | CGA | 107.7° | 107.7° |
| CBA | CAA | H2 | 108.7° | 108.7° |
| CBA | CAA | H3 | 108.7° | 108.7° |
| CAA | CBA | H8 | 109.9° | 109.9° |
| CAA | CBA | H9 | 109.9° | 109.9° |
| C3D | CAD | CBD | 110.1° | 110.1° |
| C3D | CAD | H6 | 109.3° | 109.3° |
| C3D | CAD | H7 | 109.3° | 109.3° |
| CBA | CGA | O1A | 115.1° | 115.1° |
| CBA | CGA | O2A | 121.2° | 121.2° |
| CGA | CBA | H8 | 109.9° | 109.9° |
| CGA | CBA | H9 | 109.9° | 109.9° |
| CAD | CBD | CGD | 106.9° | 106.9° |
| CBD | CAD | H6 | 109.3° | 109.3° |
| CBD | CAD | H7 | 109.3° | 109.3° |
| CAD | CBD | H14 | 110.1° | 110.1° |
| CAD | CBD | H15 | 110.1° | 110.1° |
| O1A | CGA | O2A | 123.8° | 123.8° |
| CGA | O2A | H33 | 109.5° | 109.5° |
| CBD | CGD | O2D | 121.1° | 121.1° |
| CBD | CGD | O1D | 117.1° | 117.1° |
| CGD | CBD | H14 | 110.1° | 110.1° |
| CGD | CBD | H15 | 110.1° | 110.1° |
| O2D | CGD | O1D | 121.9° | 121.9° |
| CGD | O1D | H32 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H6 | CAD | H7 | 109.5° | 109.5° |
| H8 | CBA | H9 | 109.4° | 109.5° |
| H10 | CBB | H11 | 120.0° | 120.0° |
| H12 | CBC | H13 | 120.0° | 120.0° |
| H14 | CBD | H15 | 109.5° | 109.5° |
| H20 | CMA | H21 | 109.5° | 109.5° |
| H20 | CMA | H22 | 109.5° | 109.5° |
| H21 | CMA | H22 | 109.5° | 109.5° |
| H23 | CMB | H24 | 109.5° | 109.5° |
| H23 | CMB | H25 | 109.4° | 109.4° |
| H24 | CMB | H25 | 109.5° | 109.4° |
| H26 | CMC | H27 | 109.5° | 109.4° |
| H26 | CMC | H28 | 109.4° | 109.5° |
| H27 | CMC | H28 | 109.5° | 109.5° |
| H29 | CMD | H30 | 109.5° | 109.5° |
| H29 | CMD | H31 | 109.4° | 109.4° |
| H30 | CMD | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBB | CAB | C3B | H4 | 180.0° | 180.0° |
| CBB | CAB | C3B | C2B | 8.3° | 8.3° |
| CBB | CAB | C3B | C4B | 170.2° | 170.2° |
| CAB | CBB | H10 | H11 | 180.0° | 180.0° |
| CAB | C3B | C2B | CMB | 1.4° | 1.4° |
| CAB | C3B | C2B | C4B | 178.6° | 178.6° |
| CAB | C3B | C2B | C1B | 178.9° | 178.9° |
| CAB | C3B | C4B | CHC | 0.8° | 0.8° |
| CAB | C3B | C4B | NB | 178.8° | 178.8° |
| C3B | CAB | CBB | H10 | 180.0° | 180.0° |
| C3B | CAB | CBB | H11 | 0.0° | 0.0° |
| CMB | C2B | C3B | C1B | 179.6° | 179.6° |
| CMB | C2B | C3B | C4B | 179.9° | 179.9° |
| CMB | C2B | C1B | NB | 179.9° | 179.9° |
| CMB | C2B | C1B | CHB | 0.4° | 0.4° |
| C2B | CMB | H23 | H24 | 120.0° | 120.1° |
| C2B | CMB | H23 | H25 | 120.0° | 120.0° |
| C2B | CMB | H24 | H25 | 120.0° | 120.0° |
| C2B | C3B | C4B | CHC | 177.9° | 177.9° |
| C2B | C3B | C4B | NB | 0.0° | 0.0° |
| C3B | C2B | C1B | NB | 0.4° | 0.4° |
| C3B | C2B | C1B | CHB | 180.0° | 180.0° |
| C2B | C3B | CAB | H4 | 171.7° | 171.7° |
| C3B | C2B | CMB | H23 | 180.0° | 180.0° |
| C3B | C2B | CMB | H24 | 60.0° | 60.0° |
| C3B | C2B | CMB | H25 | 60.0° | 60.0° |
| C4B | C3B | C2B | C1B | 0.3° | 0.3° |
| C3B | C4B | CHC | NB | 177.5° | 177.5° |
| C3B | C4B | CHC | C1C | 174.6° | 174.6° |
| C3B | C4B | NB | C1B | 0.2° | 0.2° |
| C3B | C4B | NB | IR | 174.7° | 174.7° |
| C4B | C3B | CAB | H4 | 9.7° | 9.8° |
| C3B | C4B | CHC | H18 | 5.4° | 5.4° |
| CMC | C2C | C1C | CHC | 0.5° | 0.5° |
| CMC | C2C | C1C | C3C | 178.5° | 178.5° |
| CMC | C2C | C1C | NC | 179.7° | 179.7° |
| CMC | C2C | C3C | CAC | 2.0° | 2.0° |
| CMC | C2C | C3C | C4C | 179.9° | 179.9° |
| C2C | CMC | H26 | H27 | 120.0° | 120.0° |
| C2C | CMC | H26 | H28 | 120.0° | 120.0° |
| C2C | CMC | H27 | H28 | 120.0° | 120.0° |
| C2B | C1B | NB | C4B | 0.4° | 0.4° |
| C2B | C1B | NB | CHB | 179.6° | 179.6° |
| C2B | C1B | NB | IR | 174.4° | 174.4° |
| C2B | C1B | CHB | C4A | 176.8° | 176.8° |
| C2B | C1B | CHB | H17 | 3.1° | 3.1° |
| C1B | C2B | CMB | H23 | 0.4° | 0.4° |
| C1B | C2B | CMB | H24 | 120.5° | 120.4° |
| C1B | C2B | CMB | H25 | 119.6° | 119.6° |
| C4B | CHC | C1C | H18 | 180.0° | 180.0° |
| C4B | CHC | C1C | C2C | 173.6° | 173.6° |
| C4B | CHC | C1C | NC | 6.6° | 6.6° |
| CHC | C4B | NB | C1B | 178.1° | 178.1° |
| CHC | C4B | NB | IR | 3.1° | 3.1° |
| C1C | CHC | C4B | NB | 2.9° | 2.9° |
| CHC | C1C | C2C | NC | 179.8° | 179.8° |
| CHC | C1C | C2C | C3C | 178.0° | 178.0° |
| CHC | C1C | NC | C4C | 178.5° | 178.5° |
| CHC | C1C | NC | IR | 9.9° | 9.9° |
| C4B | NB | C1B | IR | 174.8° | 174.8° |
| C4B | NB | C1B | CHB | 180.0° | 180.0° |
| C4B | NB | IR | NC | 4.5° | 4.5° |
| C4B | NB | IR | CH3 | 87.6° | 87.6° |
| C4B | NB | IR | NA | 178.0° | 178.0° |
| C4B | NB | IR | ND | 100.9° | 100.9° |
| NB | C4B | CHC | H18 | 177.1° | 177.1° |
| C1C | C2C | C3C | CAC | 179.3° | 179.3° |
| C1C | C2C | C3C | C4C | 1.5° | 1.5° |
| C2C | C1C | NC | C4C | 1.3° | 1.3° |
| C2C | C1C | NC | IR | 170.3° | 170.3° |
| C2C | C1C | CHC | H18 | 6.4° | 6.4° |
| C1C | C2C | CMC | H26 | 180.0° | 180.0° |
| C1C | C2C | CMC | H27 | 60.0° | 60.0° |
| C1C | C2C | CMC | H28 | 60.0° | 60.0° |
| C3C | C2C | C1C | NC | 1.7° | 1.7° |
| C2C | C3C | CAC | C4C | 177.5° | 177.5° |
| C2C | C3C | CAC | CBC | 127.3° | 127.3° |
| C2C | C3C | C4C | NC | 0.8° | 0.8° |
| C2C | C3C | C4C | CHD | 178.9° | 178.9° |
| C2C | C3C | CAC | H5 | 52.7° | 52.7° |
| C3C | C2C | CMC | H26 | 1.7° | 1.7° |
| C3C | C2C | CMC | H27 | 118.3° | 118.3° |
| C3C | C2C | CMC | H28 | 121.7° | 121.7° |
| C1C | NC | IR | NB | 7.8° | 7.8° |
| C1C | NC | C4C | C3C | 0.3° | 0.3° |
| C1C | NC | C4C | IR | 171.3° | 171.3° |
| C1C | NC | C4C | CHD | 180.0° | 180.0° |
| C1C | NC | IR | CH3 | 96.5° | 96.5° |
| C1C | NC | IR | NA | 136.2° | 136.2° |
| C1C | NC | IR | ND | 174.8° | 174.8° |
| NC | C1C | CHC | H18 | 173.4° | 173.4° |
| NB | C1B | CHB | C4A | 2.7° | 2.7° |
| C1B | NB | IR | NC | 178.5° | 178.5° |
| C1B | NB | IR | CH3 | 98.4° | 98.4° |
| C1B | NB | IR | NA | 3.9° | 3.9° |
| C1B | NB | IR | ND | 85.1° | 85.1° |
| NB | C1B | CHB | H17 | 177.4° | 177.4° |
| CHB | C1B | NB | IR | 5.2° | 5.2° |
| C1B | CHB | C4A | H17 | 180.0° | 180.0° |
| C1B | CHB | C4A | NA | 0.2° | 0.2° |
| C1B | CHB | C4A | C3A | 179.4° | 179.4° |
| NB | IR | NC | C4C | 177.8° | 177.8° |
| NB | IR | NC | CH3 | 88.7° | 88.7° |
| NB | IR | NC | NA | 128.4° | 128.4° |
| NB | IR | NC | ND | 177.4° | 177.4° |
| NB | IR | CH3 | NA | 90.6° | 90.6° |
| NB | IR | CH3 | ND | 179.4° | 179.4° |
| NB | IR | NA | ND | 177.4° | 177.4° |
| NB | IR | NA | C4A | 1.4° | 1.4° |
| NB | IR | CH3 | OH | 125.6° | 125.6° |
| NB | IR | NA | C1A | 179.2° | 179.2° |
| NB | IR | ND | C1D | 95.6° | 95.6° |
| NB | IR | ND | C4D | 81.2° | 81.2° |
| NB | IR | CH3 | HCH3 | 54.4° | 54.4° |
| C3C | CAC | CBC | H5 | 180.0° | 180.0° |
| CAC | C3C | C4C | NC | 178.6° | 178.6° |
| CAC | C3C | C4C | CHD | 1.1° | 1.1° |
| C3C | CAC | CBC | H12 | 180.0° | 180.0° |
| C3C | CAC | CBC | H13 | 0.0° | 0.0° |
| C4C | C3C | CAC | CBC | 55.2° | 55.2° |
| C3C | C4C | NC | CHD | 179.7° | 179.7° |
| C3C | C4C | NC | IR | 171.0° | 171.0° |
| C3C | C4C | CHD | C1D | 173.8° | 173.8° |
| C4C | C3C | CAC | H5 | 124.8° | 124.8° |
| C3C | C4C | CHD | H19 | 6.2° | 6.2° |
| CHB | C4A | NA | IR | 0.2° | 0.2° |
| CHB | C4A | NA | C3A | 179.6° | 179.6° |
| CHB | C4A | NA | C1A | 179.3° | 179.3° |
| CHB | C4A | C3A | CMA | 0.1° | 0.1° |
| CHB | C4A | C3A | C2A | 179.6° | 179.6° |
| CAC | CBC | H12 | H13 | 180.0° | 180.0° |
| C4C | NC | IR | CH3 | 93.5° | 93.5° |
| C4C | NC | IR | NA | 53.9° | 53.9° |
| C4C | NC | IR | ND | 4.8° | 4.8° |
| NC | C4C | CHD | C1D | 5.8° | 5.8° |
| NC | C4C | CHD | H19 | 174.2° | 174.2° |
| IR | NC | C4C | CHD | 8.7° | 8.7° |
| NC | IR | CH3 | NA | 178.0° | 178.0° |
| NC | IR | CH3 | ND | 89.2° | 89.2° |
| NC | IR | NA | ND | 49.0° | 49.0° |
| NC | IR | NA | C4A | 129.8° | 129.8° |
| NC | IR | CH3 | OH | 143.0° | 143.0° |
| NC | IR | NA | C1A | 50.8° | 50.8° |
| NC | IR | ND | C1D | 0.8° | 0.8° |
| NC | IR | ND | C4D | 177.6° | 177.6° |
| NC | IR | CH3 | HCH3 | 37.0° | 37.0° |
| C4C | CHD | C1D | H19 | 180.0° | 180.0° |
| C4C | CHD | C1D | ND | 0.8° | 0.8° |
| C4C | CHD | C1D | C2D | 180.0° | 180.0° |
| CH3 | IR | NA | ND | 88.5° | 88.5° |
| CH3 | IR | NA | C4A | 90.4° | 90.4° |
| IR | CH3 | OH | HCH3 | 180.0° | 180.0° |
| CH3 | IR | NA | C1A | 90.2° | 90.2° |
| CH3 | IR | ND | C1D | 82.3° | 82.3° |
| CH3 | IR | ND | C4D | 94.5° | 94.5° |
| IR | NA | C4A | C1A | 179.5° | 179.5° |
| IR | NA | C4A | C3A | 179.4° | 179.4° |
| NA | IR | CH3 | OH | 34.9° | 34.9° |
| NA | IR | ND | C1D | 176.8° | 176.8° |
| NA | IR | ND | C4D | 0.0° | 0.0° |
| IR | NA | C1A | C2A | 178.8° | 178.8° |
| IR | NA | C1A | CHA | 1.0° | 1.0° |
| NA | IR | CH3 | HCH3 | 145.1° | 145.1° |
| ND | IR | NA | C4A | 178.9° | 178.9° |
| ND | IR | CH3 | OH | 53.8° | 53.8° |
| ND | IR | NA | C1A | 1.8° | 1.8° |
| IR | ND | C1D | CHD | 3.6° | 3.6° |
| IR | ND | C1D | C4D | 177.3° | 177.3° |
| IR | ND | C1D | C2D | 177.1° | 177.1° |
| IR | ND | C4D | CHA | 2.8° | 2.8° |
| IR | ND | C4D | C3D | 177.0° | 177.0° |
| ND | IR | CH3 | HCH3 | 126.2° | 126.2° |
| NA | C4A | C3A | CMA | 179.5° | 179.5° |
| NA | C4A | C3A | C2A | 0.0° | 0.0° |
| C4A | NA | C1A | C2A | 1.8° | 1.8° |
| C4A | NA | C1A | CHA | 179.6° | 179.6° |
| NA | C4A | CHB | H17 | 179.8° | 179.8° |
| C3A | C4A | NA | C1A | 1.1° | 1.1° |
| C4A | C3A | CMA | C2A | 179.4° | 179.4° |
| C4A | C3A | C2A | C1A | 1.1° | 1.1° |
| C4A | C3A | C2A | CAA | 179.6° | 179.6° |
| C3A | C4A | CHB | H17 | 0.6° | 0.6° |
| C4A | C3A | CMA | H20 | 89.6° | 89.6° |
| C4A | C3A | CMA | H21 | 150.3° | 150.3° |
| C4A | C3A | CMA | H22 | 30.4° | 30.4° |
| NA | C1A | C2A | C3A | 1.8° | 1.8° |
| NA | C1A | C2A | CHA | 177.8° | 177.8° |
| NA | C1A | C2A | CAA | 179.7° | 179.7° |
| NA | C1A | CHA | C4D | 2.3° | 2.3° |
| NA | C1A | CHA | H16 | 177.7° | 177.7° |
| CMA | C3A | C2A | C1A | 179.5° | 179.5° |
| CMA | C3A | C2A | CAA | 0.9° | 0.9° |
| C3A | CMA | H20 | H21 | 120.0° | 120.0° |
| C3A | CMA | H20 | H22 | 120.0° | 120.0° |
| C3A | CMA | H21 | H22 | 120.0° | 120.0° |
| CHD | C1D | ND | C2D | 179.3° | 179.3° |
| CHD | C1D | ND | C4D | 179.2° | 179.2° |
| CHD | C1D | C2D | C3D | 179.4° | 179.4° |
| CHD | C1D | C2D | CMD | 0.9° | 0.9° |
| C3A | C2A | C1A | CAA | 178.5° | 178.5° |
| C3A | C2A | C1A | CHA | 179.5° | 179.5° |
| C3A | C2A | CAA | CBA | 80.7° | 80.7° |
| C3A | C2A | CAA | H2 | 158.8° | 158.8° |
| C3A | C2A | CAA | H3 | 39.8° | 39.8° |
| C2A | C3A | CMA | H20 | 89.7° | 89.7° |
| C2A | C3A | CMA | H21 | 30.3° | 30.3° |
| C2A | C3A | CMA | H22 | 150.3° | 150.3° |
| C1D | ND | C4D | CHA | 179.9° | 179.9° |
| C1D | ND | C4D | C3D | 0.3° | 0.3° |
| ND | C1D | C2D | C3D | 0.1° | 0.1° |
| ND | C1D | C2D | CMD | 179.8° | 179.8° |
| ND | C1D | CHD | H19 | 179.2° | 179.2° |
| C4D | ND | C1D | C2D | 0.1° | 0.1° |
| ND | C4D | CHA | C1A | 4.4° | 4.4° |
| ND | C4D | CHA | C3D | 179.7° | 179.7° |
| ND | C4D | C3D | C2D | 0.3° | 0.3° |
| ND | C4D | C3D | CAD | 179.8° | 179.8° |
| ND | C4D | CHA | H16 | 175.6° | 175.6° |
| C1D | C2D | C3D | C4D | 0.3° | 0.3° |
| C1D | C2D | C3D | CMD | 179.7° | 179.7° |
| C1D | C2D | C3D | CAD | 179.9° | 179.9° |
| C2D | C1D | CHD | H19 | 0.0° | 0.0° |
| C1D | C2D | CMD | H29 | 180.0° | 180.0° |
| C1D | C2D | CMD | H30 | 60.0° | 60.0° |
| C1D | C2D | CMD | H31 | 60.0° | 60.0° |
| C2A | C1A | CHA | C4D | 175.0° | 175.0° |
| C1A | C2A | CAA | CBA | 101.0° | 101.0° |
| C1A | C2A | CAA | H2 | 19.4° | 19.5° |
| C1A | C2A | CAA | H3 | 138.5° | 138.5° |
| C2A | C1A | CHA | H16 | 4.9° | 4.9° |
| CHA | C1A | C2A | CAA | 2.0° | 2.0° |
| C1A | CHA | C4D | H16 | 180.0° | 180.0° |
| C1A | CHA | C4D | C3D | 175.3° | 175.3° |
| C2A | CAA | CBA | H2 | 120.5° | 120.4° |
| C2A | CAA | CBA | H3 | 120.5° | 120.5° |
| C2A | CAA | CBA | CGA | 178.2° | 178.2° |
| C2A | CAA | H2 | H3 | 118.6° | 118.5° |
| C2A | CAA | CBA | H8 | 58.5° | 58.5° |
| C2A | CAA | CBA | H9 | 62.1° | 62.1° |
| CHA | C4D | C3D | C2D | 179.9° | 179.9° |
| CHA | C4D | C3D | CAD | 0.0° | 0.0° |
| C4D | C3D | C2D | CAD | 179.8° | 179.8° |
| C4D | C3D | C2D | CMD | 180.0° | 180.0° |
| C4D | C3D | CAD | CBD | 75.3° | 75.3° |
| C4D | C3D | CAD | H6 | 44.8° | 44.8° |
| C4D | C3D | CAD | H7 | 164.6° | 164.6° |
| C3D | C4D | CHA | H16 | 4.7° | 4.7° |
| C2D | C3D | CAD | CBD | 104.5° | 104.5° |
| C2D | C3D | CAD | H6 | 135.4° | 135.4° |
| C2D | C3D | CAD | H7 | 15.6° | 15.6° |
| C3D | C2D | CMD | H29 | 0.4° | 0.4° |
| C3D | C2D | CMD | H30 | 119.6° | 119.6° |
| C3D | C2D | CMD | H31 | 120.3° | 120.3° |
| CMD | C2D | C3D | CAD | 0.2° | 0.2° |
| C2D | CMD | H29 | H30 | 120.0° | 120.0° |
| C2D | CMD | H29 | H31 | 120.0° | 120.0° |
| C2D | CMD | H30 | H31 | 120.0° | 120.0° |
| CAA | CBA | CGA | H8 | 119.7° | 119.7° |
| CAA | CBA | CGA | H9 | 119.7° | 119.7° |
| CAA | CBA | CGA | O1A | 29.8° | 29.8° |
| CAA | CBA | CGA | O2A | 150.6° | 150.6° |
| CBA | CAA | H2 | H3 | 118.6° | 118.6° |
| CAA | CBA | H8 | H9 | 120.8° | 120.8° |
| C3D | CAD | CBD | H6 | 120.1° | 120.1° |
| C3D | CAD | CBD | H7 | 120.1° | 120.1° |
| C3D | CAD | CBD | CGD | 173.7° | 173.7° |
| C3D | CAD | H6 | H7 | 119.7° | 119.7° |
| C3D | CAD | CBD | H14 | 66.7° | 66.7° |
| C3D | CAD | CBD | H15 | 54.1° | 54.1° |
| CBA | CGA | O1A | O2A | 179.6° | 179.6° |
| CGA | CBA | CAA | H2 | 61.3° | 61.4° |
| CGA | CBA | CAA | H3 | 57.7° | 57.7° |
| CGA | CBA | H8 | H9 | 120.8° | 120.8° |
| CBA | CGA | O2A | H33 | 179.6° | 179.6° |
| CAD | CBD | CGD | H14 | 119.6° | 119.6° |
| CAD | CBD | CGD | H15 | 119.6° | 119.6° |
| CAD | CBD | CGD | O2D | 163.7° | 163.7° |
| CAD | CBD | CGD | O1D | 16.0° | 16.0° |
| CBD | CAD | H6 | H7 | 119.7° | 119.7° |
| CAD | CBD | H14 | H15 | 121.2° | 121.2° |
| O1A | CGA | CBA | H8 | 89.9° | 89.9° |
| O1A | CGA | CBA | H9 | 149.6° | 149.5° |
| O1A | CGA | O2A | H33 | 0.0° | 0.0° |
| O2A | CGA | CBA | H8 | 89.7° | 89.7° |
| O2A | CGA | CBA | H9 | 30.8° | 30.8° |
| CBD | CGD | O2D | O1D | 179.7° | 179.7° |
| CGD | CBD | CAD | H6 | 53.6° | 53.6° |
| CGD | CBD | CAD | H7 | 66.2° | 66.2° |
| CGD | CBD | H14 | H15 | 121.2° | 121.2° |
| CBD | CGD | O1D | H32 | 179.7° | 179.7° |
| O2D | CGD | CBD | H14 | 44.1° | 44.1° |
| O2D | CGD | CBD | H15 | 76.7° | 76.7° |
| O2D | CGD | O1D | H32 | 0.0° | 0.0° |
| O1D | CGD | CBD | H14 | 135.6° | 135.6° |
| O1D | CGD | CBD | H15 | 103.6° | 103.6° |
| H2 | CAA | CBA | H8 | 178.9° | 178.9° |
| H2 | CAA | CBA | H9 | 58.4° | 58.3° |
| H3 | CAA | CBA | H8 | 62.0° | 62.0° |
| H3 | CAA | CBA | H9 | 177.5° | 177.4° |
| H4 | CAB | CBB | H10 | 0.0° | 0.0° |
| H4 | CAB | CBB | H11 | 180.0° | 180.0° |
| H5 | CAC | CBC | H12 | 0.0° | 0.0° |
| H5 | CAC | CBC | H13 | 180.0° | 180.0° |
| H6 | CAD | CBD | H14 | 173.3° | 173.3° |
| H6 | CAD | CBD | H15 | 65.9° | 65.9° |
| H7 | CAD | CBD | H14 | 53.4° | 53.4° |
| H7 | CAD | CBD | H15 | 174.2° | 174.2° |
| H20 | CMA | H21 | H22 | 120.0° | 120.0° |
| H23 | CMB | H24 | H25 | 120.0° | 119.9° |
| H26 | CMC | H27 | H28 | 119.9° | 120.0° |
| H29 | CMD | H30 | H31 | 119.9° | 119.9° |
