BPH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1D | CGD | doub | 1.21Å | 1.22Å | |
| CGD | O2D | sing | 1.34Å | 1.33Å | |
| CGD | CBD | sing | 1.51Å | 1.50Å | |
| O2D | CED | sing | 1.45Å | 1.43Å | |
| CBD | CHA | sing | 1.51Å | 1.52Å | |
| CBD | CAD | sing | 1.51Å | 1.54Å | |
| CHA | C4D | doub | 1.40Å | 1.40Å | Aromatic |
| CHA | C1A | sing | 1.38Å | 1.39Å | Aromatic |
| C4D | C3D | sing | 1.41Å | 1.41Å | Aromatic |
| C4D | ND | sing | 1.38Å | 1.35Å | Aromatic |
| C3D | CAD | sing | 1.47Å | 1.43Å | |
| C3D | C2D | doub | 1.40Å | 1.40Å | Aromatic |
| CAD | OBD | doub | 1.21Å | 1.21Å | |
| C2D | CMD | sing | 1.51Å | 1.51Å | |
| C2D | C1D | sing | 1.39Å | 1.43Å | Aromatic |
| C1D | ND | sing | 1.38Å | 1.40Å | Aromatic |
| C1D | CHD | doub | 1.40Å | 1.42Å | Aromatic |
| CHD | C4C | sing | 1.38Å | 1.38Å | Aromatic |
| C4C | C3C | sing | 1.52Å | 1.54Å | |
| C4C | NC | doub | 1.32Å | 1.40Å | Aromatic |
| C3C | CAC | sing | 1.53Å | 1.52Å | |
| C3C | C2C | sing | 1.54Å | 1.56Å | |
| CAC | CBC | sing | 1.53Å | 1.49Å | |
| C2C | CMC | sing | 1.53Å | 1.52Å | |
| C2C | C1C | sing | 1.53Å | 1.52Å | |
| C1C | NC | sing | 1.31Å | 1.34Å | Aromatic |
| C1C | CHC | doub | 1.38Å | 1.41Å | Aromatic |
| CHC | C4B | sing | 1.39Å | 1.40Å | Aromatic |
| C4B | C3B | doub | 1.43Å | 1.45Å | Aromatic |
| C4B | NB | sing | 1.37Å | 1.38Å | Aromatic |
| C3B | CAB | sing | 1.46Å | 1.51Å | |
| C3B | C2B | sing | 1.39Å | 1.38Å | Aromatic |
| CAB | CBB | sing | 1.51Å | 1.47Å | |
| CAB | OBB | doub | 1.21Å | 1.24Å | |
| C2B | CMB | sing | 1.51Å | 1.52Å | |
| C2B | C1B | doub | 1.40Å | 1.45Å | Aromatic |
| C1B | NB | sing | 1.38Å | 1.38Å | Aromatic |
| C1B | CHB | sing | 1.40Å | 1.39Å | Aromatic |
| CHB | C4A | doub | 1.38Å | 1.41Å | Aromatic |
| C4A | C3A | sing | 1.52Å | 1.50Å | |
| C4A | NA | sing | 1.32Å | 1.34Å | Aromatic |
| C3A | CMA | sing | 1.53Å | 1.53Å | |
| C3A | C2A | sing | 1.54Å | 1.53Å | |
| C2A | C1A | sing | 1.51Å | 1.50Å | |
| C2A | CAA | sing | 1.53Å | 1.55Å | |
| C1A | NA | doub | 1.32Å | 1.38Å | Aromatic |
| CAA | CBA | sing | 1.53Å | 1.53Å | |
| CBA | CGA | sing | 1.51Å | 1.48Å | |
| CGA | O1A | doub | 1.21Å | 1.25Å | |
| CGA | O2A | sing | 1.34Å | 1.36Å | |
| O2A | C1 | sing | 1.45Å | 1.44Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C2 | C3 | doub | 1.31Å | 1.37Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| CED | HED1 | sing | 1.09Å | 1.10Å | |
| CED | HED2 | sing | 1.09Å | 1.10Å | |
| CED | HED3 | sing | 1.09Å | 1.10Å | |
| CBD | HBD | sing | 1.09Å | 1.10Å | |
| CMD | HMD1 | sing | 1.09Å | 1.10Å | |
| CMD | HMD2 | sing | 1.09Å | 1.10Å | |
| CMD | HMD3 | sing | 1.09Å | 1.10Å | |
| ND | HD | sing | 0.97Å | 1.00Å | |
| CHD | HHD | sing | 1.08Å | 1.08Å | |
| C3C | H3C | sing | 1.09Å | 1.10Å | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CBC | HBC1 | sing | 1.09Å | 1.10Å | |
| CBC | HBC2 | sing | 1.09Å | 1.10Å | |
| CBC | HBC3 | sing | 1.09Å | 1.10Å | |
| C2C | H2C | sing | 1.09Å | 1.10Å | |
| CMC | HMC1 | sing | 1.09Å | 1.10Å | |
| CMC | HMC2 | sing | 1.09Å | 1.10Å | |
| CMC | HMC3 | sing | 1.09Å | 1.10Å | |
| CHC | HHC | sing | 1.10Å | 1.08Å | |
| CBB | HBB1 | sing | 1.09Å | 1.10Å | |
| CBB | HBB2 | sing | 1.09Å | 1.10Å | |
| CBB | HBB3 | sing | 1.09Å | 1.10Å | |
| CMB | HMB1 | sing | 1.09Å | 1.10Å | |
| CMB | HMB2 | sing | 1.09Å | 1.10Å | |
| CMB | HMB3 | sing | 1.09Å | 1.10Å | |
| NB | HB | sing | 0.97Å | 1.00Å | |
| CHB | HHB | sing | 1.09Å | 1.08Å | |
| C3A | H3A | sing | 1.09Å | 1.10Å | |
| CMA | HMA1 | sing | 1.09Å | 1.10Å | |
| CMA | HMA2 | sing | 1.09Å | 1.10Å | |
| CMA | HMA3 | sing | 1.09Å | 1.10Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CBA | HBA1 | sing | 1.09Å | 1.10Å | |
| CBA | HBA2 | sing | 1.09Å | 1.10Å | |
| C1 | H1C1 | sing | 1.09Å | 1.10Å | |
| C1 | H1C2 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.09Å | 1.10Å | |
| C4 | H4C3 | sing | 1.09Å | 1.10Å | |
| C5 | H5C1 | sing | 1.09Å | 1.10Å | |
| C5 | H5C2 | sing | 1.09Å | 1.10Å | |
| C6 | H6C1 | sing | 1.09Å | 1.10Å | |
| C6 | H6C2 | sing | 1.09Å | 1.10Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9C1 | sing | 1.09Å | 1.10Å | |
| C9 | H9C2 | sing | 1.09Å | 1.10Å | |
| C9 | H9C3 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1D | CGD | O2D | 121.9° | 119.9° |
| O1D | CGD | CBD | 123.4° | 120.1° |
| O2D | CGD | CBD | 114.6° | 120.0° |
| CGD | O2D | CED | 114.9° | 117.0° |
| CGD | CBD | CHA | 112.9° | 110.3° |
| CGD | CBD | CAD | 111.8° | 110.3° |
| CGD | CBD | HBD | 109.4° | 110.2° |
| O2D | CED | HED1 | 109.5° | 109.5° |
| O2D | CED | HED2 | 109.5° | 109.4° |
| O2D | CED | HED3 | 109.4° | 109.5° |
| CHA | CBD | CAD | 104.6° | 105.2° |
| CBD | CHA | C4D | 104.8° | 108.4° |
| CBD | CHA | C1A | 126.4° | 127.3° |
| CHA | CBD | HBD | 109.1° | 110.3° |
| CBD | CAD | C3D | 108.3° | 105.9° |
| CBD | CAD | OBD | 122.0° | 127.0° |
| CAD | CBD | HBD | 108.8° | 110.4° |
| C4D | CHA | C1A | 127.7° | 124.3° |
| CHA | C4D | C3D | 115.6° | 110.9° |
| CHA | C4D | ND | 137.9° | 141.1° |
| CHA | C1A | C2A | 128.3° | 126.3° |
| CHA | C1A | NA | 120.1° | 124.3° |
| C3D | C4D | ND | 106.2° | 108.0° |
| C4D | C3D | CAD | 106.4° | 109.5° |
| C4D | C3D | C2D | 110.7° | 107.3° |
| C4D | ND | C1D | 110.9° | 108.6° |
| C4D | ND | HD | 124.5° | 125.7° |
| CAD | C3D | C2D | 142.8° | 143.2° |
| C3D | CAD | OBD | 129.6° | 127.0° |
| C3D | C2D | CMD | 129.5° | 126.2° |
| C3D | C2D | C1D | 104.3° | 107.6° |
| CMD | C2D | C1D | 126.1° | 126.2° |
| C2D | CMD | HMD1 | 109.5° | 109.4° |
| C2D | CMD | HMD2 | 109.5° | 109.5° |
| C2D | CMD | HMD3 | 109.5° | 109.4° |
| C2D | C1D | ND | 107.7° | 108.5° |
| C2D | C1D | CHD | 129.1° | 126.3° |
| ND | C1D | CHD | 123.1° | 125.2° |
| C1D | ND | HD | 124.5° | 125.7° |
| C1D | CHD | C4C | 127.8° | 120.5° |
| C1D | CHD | HHD | 116.1° | 120.0° |
| CHD | C4C | C3C | 123.8° | 123.7° |
| CHD | C4C | NC | 121.1° | 127.1° |
| C4C | CHD | HHD | 116.1° | 119.5° |
| C3C | C4C | NC | 114.9° | 109.2° |
| C4C | C3C | CAC | 101.9° | 110.8° |
| C4C | C3C | C2C | 98.7° | 103.1° |
| C4C | C3C | H3C | 115.1° | 110.7° |
| C4C | NC | C1C | 107.7° | 115.7° |
| CAC | C3C | C2C | 109.3° | 110.7° |
| C3C | CAC | CBC | 118.2° | 109.5° |
| CAC | C3C | H3C | 115.3° | 110.7° |
| C3C | CAC | HAC1 | 107.2° | 109.5° |
| C3C | CAC | HAC2 | 107.2° | 109.4° |
| C3C | C2C | CMC | 124.8° | 110.8° |
| C3C | C2C | C1C | 105.7° | 103.1° |
| C2C | C3C | H3C | 114.6° | 110.7° |
| C3C | C2C | H2C | 103.0° | 110.7° |
| CBC | CAC | HAC1 | 107.2° | 109.5° |
| CBC | CAC | HAC2 | 107.2° | 109.5° |
| CAC | CBC | HBC1 | 109.5° | 109.5° |
| CAC | CBC | HBC2 | 109.4° | 109.5° |
| CAC | CBC | HBC3 | 109.4° | 109.5° |
| CMC | C2C | C1C | 113.9° | 110.7° |
| CMC | C2C | H2C | 103.4° | 110.7° |
| C2C | CMC | HMC1 | 109.5° | 109.4° |
| C2C | CMC | HMC2 | 109.4° | 109.5° |
| C2C | CMC | HMC3 | 109.5° | 109.4° |
| C2C | C1C | NC | 113.0° | 108.9° |
| C2C | C1C | CHC | 122.2° | 121.8° |
| C1C | C2C | H2C | 103.4° | 110.7° |
| NC | C1C | CHC | 124.9° | 129.3° |
| C1C | CHC | C4B | 130.6° | 127.3° |
| C1C | CHC | HHC | 114.7° | 116.1° |
| CHC | C4B | C3B | 128.0° | 121.9° |
| CHC | C4B | NB | 127.9° | 130.7° |
| C4B | CHC | HHC | 114.7° | 116.6° |
| C3B | C4B | NB | 104.0° | 107.4° |
| C4B | C3B | CAB | 123.2° | 126.3° |
| C4B | C3B | C2B | 109.7° | 107.3° |
| C4B | NB | C1B | 113.2° | 109.2° |
| C4B | NB | HB | 123.4° | 125.4° |
| CAB | C3B | C2B | 127.2° | 126.4° |
| C3B | CAB | CBB | 118.3° | 120.0° |
| C3B | CAB | OBB | 124.4° | 120.0° |
| C3B | C2B | CMB | 129.7° | 126.2° |
| C3B | C2B | C1B | 107.5° | 107.7° |
| CBB | CAB | OBB | 117.3° | 120.0° |
| CAB | CBB | HBB1 | 109.5° | 109.4° |
| CAB | CBB | HBB2 | 109.4° | 109.5° |
| CAB | CBB | HBB3 | 109.5° | 109.5° |
| CMB | C2B | C1B | 122.8° | 126.2° |
| C2B | CMB | HMB1 | 109.5° | 109.5° |
| C2B | CMB | HMB2 | 109.5° | 109.5° |
| C2B | CMB | HMB3 | 109.5° | 109.5° |
| C2B | C1B | NB | 105.7° | 108.4° |
| C2B | C1B | CHB | 127.1° | 122.5° |
| NB | C1B | CHB | 127.2° | 129.1° |
| C1B | NB | HB | 123.4° | 125.4° |
| C1B | CHB | C4A | 128.7° | 123.5° |
| C1B | CHB | HHB | 115.7° | 118.1° |
| CHB | C4A | C3A | 125.2° | 124.5° |
| CHB | C4A | NA | 123.4° | 126.4° |
| C4A | CHB | HHB | 115.6° | 118.4° |
| C3A | C4A | NA | 111.4° | 109.1° |
| C4A | C3A | CMA | 107.3° | 110.7° |
| C4A | C3A | C2A | 104.0° | 103.0° |
| C4A | C3A | H3A | 114.4° | 110.7° |
| C4A | NA | C1A | 110.1° | 115.4° |
| CMA | C3A | C2A | 102.4° | 110.7° |
| CMA | C3A | H3A | 113.8° | 110.7° |
| C3A | CMA | HMA1 | 109.5° | 109.5° |
| C3A | CMA | HMA2 | 109.5° | 109.5° |
| C3A | CMA | HMA3 | 109.5° | 109.5° |
| C3A | C2A | C1A | 102.9° | 103.1° |
| C3A | C2A | CAA | 105.7° | 110.7° |
| C2A | C3A | H3A | 113.9° | 110.7° |
| C3A | C2A | H2A | 114.6° | 110.8° |
| C1A | C2A | CAA | 102.8° | 110.7° |
| C2A | C1A | NA | 111.0° | 109.4° |
| C1A | C2A | H2A | 115.1° | 110.7° |
| C2A | CAA | CBA | 113.9° | 109.5° |
| CAA | C2A | H2A | 114.2° | 110.6° |
| C2A | CAA | HAA1 | 108.4° | 109.5° |
| C2A | CAA | HAA2 | 108.4° | 109.5° |
| CAA | CBA | CGA | 116.7° | 109.5° |
| CBA | CAA | HAA1 | 108.4° | 109.4° |
| CBA | CAA | HAA2 | 108.4° | 109.5° |
| CAA | CBA | HBA1 | 107.6° | 109.4° |
| CAA | CBA | HBA2 | 107.6° | 109.5° |
| CBA | CGA | O1A | 128.1° | 120.0° |
| CBA | CGA | O2A | 113.5° | 120.0° |
| CGA | CBA | HBA1 | 107.6° | 109.5° |
| CGA | CBA | HBA2 | 107.6° | 109.5° |
| O1A | CGA | O2A | 118.4° | 120.0° |
| CGA | O2A | C1 | 116.0° | 117.0° |
| O2A | C1 | C2 | 106.0° | 109.5° |
| O2A | C1 | H1C1 | 110.3° | 109.5° |
| O2A | C1 | H1C2 | 110.3° | 109.5° |
| C1 | C2 | C3 | 122.6° | 120.0° |
| C2 | C1 | H1C1 | 110.3° | 109.4° |
| C2 | C1 | H1C2 | 110.3° | 109.5° |
| C1 | C2 | H2 | 118.7° | 120.0° |
| C2 | C3 | C4 | 125.0° | 120.0° |
| C2 | C3 | C5 | 121.3° | 120.0° |
| C3 | C2 | H2 | 118.7° | 120.0° |
| C4 | C3 | C5 | 113.7° | 120.0° |
| C3 | C4 | H4C1 | 109.5° | 109.4° |
| C3 | C4 | H4C2 | 109.5° | 109.5° |
| C3 | C4 | H4C3 | 109.5° | 109.5° |
| C3 | C5 | C6 | 111.8° | 109.5° |
| C3 | C5 | H5C1 | 108.9° | 109.4° |
| C3 | C5 | H5C2 | 108.9° | 109.5° |
| C5 | C6 | C7 | 107.2° | 109.5° |
| C6 | C5 | H5C1 | 108.9° | 109.5° |
| C6 | C5 | H5C2 | 108.9° | 109.5° |
| C5 | C6 | H6C1 | 110.0° | 109.5° |
| C5 | C6 | H6C2 | 110.0° | 109.5° |
| C6 | C7 | C8 | 112.6° | 109.5° |
| C7 | C6 | H6C1 | 110.0° | 109.5° |
| C7 | C6 | H6C2 | 110.1° | 109.4° |
| C6 | C7 | H7C1 | 108.7° | 109.5° |
| C6 | C7 | H7C2 | 108.7° | 109.5° |
| C7 | C8 | C9 | 112.1° | 109.5° |
| C7 | C8 | C10 | 109.0° | 109.5° |
| C8 | C7 | H7C1 | 108.7° | 109.5° |
| C8 | C7 | H7C2 | 108.7° | 109.5° |
| C7 | C8 | H8 | 107.3° | 109.5° |
| C9 | C8 | C10 | 113.6° | 109.5° |
| C9 | C8 | H8 | 107.2° | 109.5° |
| C8 | C9 | H9C1 | 109.5° | 109.5° |
| C8 | C9 | H9C2 | 109.5° | 109.5° |
| C8 | C9 | H9C3 | 109.5° | 109.5° |
| C8 | C10 | C11 | 110.5° | 109.5° |
| C10 | C8 | H8 | 107.3° | 109.5° |
| C8 | C10 | H101 | 109.2° | 109.5° |
| C8 | C10 | H102 | 109.2° | 109.5° |
| C10 | C11 | C12 | 111.6° | 109.5° |
| C11 | C10 | H101 | 109.2° | 109.4° |
| C11 | C10 | H102 | 109.2° | 109.5° |
| C10 | C11 | H111 | 108.9° | 109.5° |
| C10 | C11 | H112 | 108.9° | 109.5° |
| C11 | C12 | C13 | 113.9° | 109.5° |
| C12 | C11 | H111 | 108.9° | 109.5° |
| C12 | C11 | H112 | 108.9° | 109.5° |
| C11 | C12 | H121 | 108.3° | 109.5° |
| C11 | C12 | H122 | 108.4° | 109.5° |
| C12 | C13 | C14 | 111.9° | 109.5° |
| C12 | C13 | C15 | 112.8° | 109.5° |
| C13 | C12 | H121 | 108.3° | 109.5° |
| C13 | C12 | H122 | 108.4° | 109.5° |
| C12 | C13 | H13 | 105.4° | 109.5° |
| C14 | C13 | C15 | 114.9° | 109.5° |
| C14 | C13 | H13 | 105.5° | 109.4° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.5° |
| C13 | C14 | H143 | 109.5° | 109.5° |
| C13 | C15 | C16 | 114.1° | 109.5° |
| C15 | C13 | H13 | 105.4° | 109.5° |
| C13 | C15 | H151 | 108.3° | 109.5° |
| C13 | C15 | H152 | 108.3° | 109.5° |
| C15 | C16 | C17 | 112.6° | 109.5° |
| C16 | C15 | H151 | 108.3° | 109.5° |
| C16 | C15 | H152 | 108.3° | 109.4° |
| C15 | C16 | H161 | 108.7° | 109.5° |
| C15 | C16 | H162 | 108.7° | 109.4° |
| C16 | C17 | C18 | 116.6° | 109.4° |
| C17 | C16 | H161 | 108.7° | 109.5° |
| C17 | C16 | H162 | 108.7° | 109.5° |
| C16 | C17 | H171 | 107.7° | 109.4° |
| C16 | C17 | H172 | 107.7° | 109.4° |
| C17 | C18 | C19 | 115.2° | 109.5° |
| C17 | C18 | C20 | 112.9° | 109.4° |
| C18 | C17 | H171 | 107.7° | 109.5° |
| C18 | C17 | H172 | 107.6° | 109.5° |
| C17 | C18 | H18 | 106.6° | 109.5° |
| C19 | C18 | C20 | 108.4° | 109.4° |
| C19 | C18 | H18 | 106.7° | 109.5° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C18 | C19 | H192 | 109.4° | 109.5° |
| C18 | C19 | H193 | 109.5° | 109.5° |
| C20 | C18 | H18 | 106.6° | 109.5° |
| C18 | C20 | H201 | 109.5° | 109.4° |
| C18 | C20 | H202 | 109.5° | 109.4° |
| C18 | C20 | H203 | 109.4° | 109.5° |
| HED1 | CED | HED2 | 109.5° | 109.5° |
| HED1 | CED | HED3 | 109.5° | 109.5° |
| HED2 | CED | HED3 | 109.5° | 109.5° |
| HMD1 | CMD | HMD2 | 109.5° | 109.5° |
| HMD1 | CMD | HMD3 | 109.5° | 109.5° |
| HMD2 | CMD | HMD3 | 109.5° | 109.5° |
| HAC1 | CAC | HAC2 | 109.5° | 109.5° |
| HBC1 | CBC | HBC2 | 109.5° | 109.5° |
| HBC1 | CBC | HBC3 | 109.4° | 109.4° |
| HBC2 | CBC | HBC3 | 109.5° | 109.4° |
| HMC1 | CMC | HMC2 | 109.4° | 109.5° |
| HMC1 | CMC | HMC3 | 109.4° | 109.5° |
| HMC2 | CMC | HMC3 | 109.5° | 109.5° |
| HBB1 | CBB | HBB2 | 109.4° | 109.5° |
| HBB1 | CBB | HBB3 | 109.5° | 109.5° |
| HBB2 | CBB | HBB3 | 109.5° | 109.5° |
| HMB1 | CMB | HMB2 | 109.5° | 109.5° |
| HMB1 | CMB | HMB3 | 109.5° | 109.5° |
| HMB2 | CMB | HMB3 | 109.5° | 109.5° |
| HMA1 | CMA | HMA2 | 109.4° | 109.5° |
| HMA1 | CMA | HMA3 | 109.5° | 109.5° |
| HMA2 | CMA | HMA3 | 109.4° | 109.4° |
| HAA1 | CAA | HAA2 | 109.5° | 109.4° |
| HBA1 | CBA | HBA2 | 109.5° | 109.4° |
| H1C1 | C1 | H1C2 | 109.5° | 109.5° |
| H4C1 | C4 | H4C2 | 109.5° | 109.5° |
| H4C1 | C4 | H4C3 | 109.5° | 109.5° |
| H4C2 | C4 | H4C3 | 109.4° | 109.5° |
| H5C1 | C5 | H5C2 | 109.5° | 109.5° |
| H6C1 | C6 | H6C2 | 109.5° | 109.5° |
| H7C1 | C7 | H7C2 | 109.4° | 109.5° |
| H9C1 | C9 | H9C2 | 109.5° | 109.5° |
| H9C1 | C9 | H9C3 | 109.5° | 109.5° |
| H9C2 | C9 | H9C3 | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.4° | 109.4° |
| H142 | C14 | H143 | 109.4° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.4° | 109.4° |
| H191 | C19 | H193 | 109.4° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.4° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1D | CGD | O2D | CBD | 176.0° | 179.7° |
| O1D | CGD | O2D | CED | 0.5° | 0.0° |
| O1D | CGD | CBD | CHA | 136.5° | 0.0° |
| O1D | CGD | CBD | CAD | 105.9° | 115.8° |
| O1D | CGD | CBD | HBD | 14.8° | 122.1° |
| O2D | CGD | CBD | CHA | 39.4° | 179.7° |
| O2D | CGD | CBD | CAD | 78.2° | 63.9° |
| CGD | O2D | CED | HED1 | 180.0° | 180.0° |
| CGD | O2D | CED | HED2 | 60.0° | 60.0° |
| CGD | O2D | CED | HED3 | 60.0° | 59.9° |
| O2D | CGD | CBD | HBD | 161.1° | 58.2° |
| CBD | CGD | O2D | CED | 176.5° | 179.7° |
| CGD | CBD | CHA | CAD | 121.8° | 118.9° |
| CGD | CBD | CHA | HBD | 121.9° | 122.0° |
| CGD | CBD | CAD | HBD | 121.0° | 122.1° |
| CGD | CBD | CHA | C4D | 119.6° | 118.7° |
| CGD | CBD | CHA | C1A | 49.3° | 61.3° |
| CGD | CBD | CAD | C3D | 123.1° | 118.6° |
| CGD | CBD | CAD | OBD | 60.6° | 61.3° |
| O2D | CED | HED1 | HED2 | 120.0° | 120.0° |
| O2D | CED | HED1 | HED3 | 120.0° | 120.0° |
| O2D | CED | HED2 | HED3 | 120.0° | 120.0° |
| CHA | CBD | CAD | HBD | 116.5° | 119.0° |
| CBD | CHA | C4D | C1A | 168.6° | 180.0° |
| CBD | CHA | C4D | C3D | 4.7° | 0.0° |
| CBD | CHA | C4D | ND | 177.9° | 179.9° |
| CHA | CBD | CAD | C3D | 0.6° | 0.3° |
| CHA | CBD | CAD | OBD | 176.9° | 179.7° |
| CBD | CHA | C1A | C2A | 0.6° | 0.5° |
| CBD | CHA | C1A | NA | 171.4° | 179.5° |
| CAD | CBD | CHA | C4D | 2.2° | 0.2° |
| CAD | CBD | CHA | C1A | 171.1° | 179.8° |
| CBD | CAD | C3D | C4D | 3.2° | 0.3° |
| CBD | CAD | C3D | OBD | 175.9° | 180.0° |
| CBD | CAD | C3D | C2D | 178.4° | 179.6° |
| CHA | C4D | C3D | ND | 175.3° | 179.9° |
| CHA | C4D | C3D | CAD | 5.2° | 0.2° |
| CHA | C4D | C3D | C2D | 177.9° | 179.7° |
| CHA | C4D | ND | C1D | 175.0° | 179.6° |
| C4D | CHA | C1A | C2A | 165.7° | 179.5° |
| C4D | CHA | C1A | NA | 5.1° | 0.5° |
| C4D | CHA | CBD | HBD | 118.6° | 119.2° |
| CHA | C4D | ND | HD | 5.0° | 0.5° |
| C1A | CHA | C4D | C3D | 173.3° | 180.0° |
| C1A | CHA | C4D | ND | 13.4° | 0.1° |
| CHA | C1A | NA | C4A | 172.4° | 179.9° |
| CHA | C1A | C2A | C3A | 167.1° | 179.5° |
| CHA | C1A | C2A | NA | 171.5° | 180.0° |
| CHA | C1A | C2A | CAA | 83.2° | 62.1° |
| C1A | CHA | CBD | HBD | 72.6° | 60.8° |
| CHA | C1A | C2A | H2A | 41.6° | 61.0° |
| C4D | C3D | CAD | C2D | 175.2° | 179.9° |
| C4D | C3D | CAD | OBD | 179.2° | 179.7° |
| C4D | C3D | C2D | CMD | 178.0° | 180.0° |
| C4D | C3D | C2D | C1D | 2.8° | 0.0° |
| C3D | C4D | ND | C1D | 1.4° | 0.3° |
| C3D | C4D | ND | HD | 178.6° | 179.6° |
| ND | C4D | C3D | CAD | 179.5° | 179.9° |
| ND | C4D | C3D | C2D | 2.7° | 0.2° |
| C4D | ND | C1D | C2D | 0.4° | 0.3° |
| C4D | ND | C1D | HD | 180.0° | 179.9° |
| C4D | ND | C1D | CHD | 176.6° | 179.5° |
| CAD | C3D | C2D | CMD | 2.9° | 0.1° |
| CAD | C3D | C2D | C1D | 177.9° | 179.9° |
| C3D | CAD | CBD | HBD | 115.9° | 119.3° |
| C2D | C3D | CAD | OBD | 5.7° | 0.4° |
| C3D | C2D | CMD | C1D | 179.1° | 180.0° |
| C3D | C2D | C1D | ND | 1.9° | 0.2° |
| C3D | C2D | C1D | CHD | 177.8° | 179.7° |
| C3D | C2D | CMD | HMD1 | 90.5° | 90.0° |
| C3D | C2D | CMD | HMD2 | 149.5° | 150.0° |
| C3D | C2D | CMD | HMD3 | 29.5° | 30.0° |
| OBD | CAD | CBD | HBD | 60.4° | 60.7° |
| CMD | C2D | C1D | ND | 178.8° | 179.8° |
| CMD | C2D | C1D | CHD | 2.9° | 0.4° |
| C2D | CMD | HMD1 | HMD2 | 120.0° | 120.0° |
| C2D | CMD | HMD1 | HMD3 | 120.0° | 120.0° |
| C2D | CMD | HMD2 | HMD3 | 120.0° | 120.0° |
| C2D | C1D | ND | CHD | 176.2° | 179.8° |
| C2D | C1D | CHD | C4C | 174.4° | 179.9° |
| C1D | C2D | CMD | HMD1 | 90.4° | 90.0° |
| C1D | C2D | CMD | HMD2 | 29.6° | 30.0° |
| C1D | C2D | CMD | HMD3 | 149.6° | 150.0° |
| C2D | C1D | ND | HD | 179.7° | 179.6° |
| C2D | C1D | CHD | HHD | 5.5° | 0.1° |
| ND | C1D | CHD | C4C | 0.9° | 0.3° |
| ND | C1D | CHD | HHD | 179.1° | 179.7° |
| C1D | CHD | C4C | HHD | 180.0° | 180.0° |
| C1D | CHD | C4C | C3C | 177.2° | 179.8° |
| C1D | CHD | C4C | NC | 2.2° | 0.4° |
| CHD | C1D | ND | HD | 3.4° | 0.5° |
| CHD | C4C | C3C | NC | 175.3° | 179.9° |
| CHD | C4C | C3C | CAC | 62.9° | 61.8° |
| CHD | C4C | C3C | C2C | 175.0° | 179.7° |
| CHD | C4C | NC | C1C | 176.4° | 179.9° |
| CHD | C4C | C3C | H3C | 62.5° | 61.3° |
| C4C | C3C | CAC | C2C | 103.8° | 113.7° |
| C4C | C3C | CAC | H3C | 125.4° | 123.2° |
| C4C | C3C | C2C | H3C | 122.8° | 118.4° |
| C4C | C3C | CAC | CBC | 121.5° | 175.7° |
| C4C | C3C | C2C | CMC | 136.4° | 117.8° |
| C4C | C3C | C2C | C1C | 1.3° | 0.6° |
| C3C | C4C | NC | C1C | 0.9° | 0.0° |
| C3C | C4C | CHD | HHD | 2.8° | 0.2° |
| C4C | C3C | CAC | HAC1 | 117.2° | 64.2° |
| C4C | C3C | CAC | HAC2 | 0.3° | 55.7° |
| C4C | C3C | C2C | H2C | 106.9° | 119.0° |
| NC | C4C | C3C | CAC | 112.3° | 118.0° |
| NC | C4C | C3C | C2C | 0.3° | 0.4° |
| C4C | NC | C1C | C2C | 1.9° | 0.4° |
| C4C | NC | C1C | CHC | 177.2° | 179.2° |
| NC | C4C | CHD | HHD | 177.9° | 179.6° |
| NC | C4C | C3C | H3C | 122.2° | 118.8° |
| CAC | C3C | C2C | H3C | 131.2° | 123.1° |
| C3C | CAC | CBC | HAC1 | 121.3° | 120.0° |
| C3C | CAC | CBC | HAC2 | 121.2° | 119.9° |
| CAC | C3C | C2C | CMC | 117.7° | 123.7° |
| CAC | C3C | C2C | C1C | 107.3° | 117.9° |
| C3C | CAC | HAC1 | HAC2 | 116.0° | 119.9° |
| C3C | CAC | CBC | HBC1 | 180.0° | 54.8° |
| C3C | CAC | CBC | HBC2 | 60.0° | 65.2° |
| C3C | CAC | CBC | HBC3 | 60.0° | 174.8° |
| CAC | C3C | C2C | H2C | 0.9° | 0.5° |
| C2C | C3C | CAC | CBC | 134.6° | 70.6° |
| C3C | C2C | CMC | C1C | 131.9° | 113.7° |
| C3C | C2C | CMC | H2C | 116.6° | 123.2° |
| C3C | C2C | C1C | H2C | 107.9° | 118.4° |
| C3C | C2C | C1C | NC | 2.1° | 0.6° |
| C3C | C2C | C1C | CHC | 177.0° | 179.0° |
| C2C | C3C | CAC | HAC1 | 13.4° | 49.5° |
| C2C | C3C | CAC | HAC2 | 104.1° | 169.4° |
| C3C | C2C | CMC | HMC1 | 180.0° | 60.0° |
| C3C | C2C | CMC | HMC2 | 60.0° | 180.0° |
| C3C | C2C | CMC | HMC3 | 60.0° | 60.0° |
| CBC | CAC | C3C | H3C | 3.8° | 52.5° |
| CBC | CAC | HAC1 | HAC2 | 116.0° | 120.1° |
| CAC | CBC | HBC1 | HBC2 | 120.0° | 120.1° |
| CAC | CBC | HBC1 | HBC3 | 120.0° | 120.0° |
| CAC | CBC | HBC2 | HBC3 | 120.0° | 120.0° |
| CMC | C2C | C1C | H2C | 111.5° | 123.1° |
| CMC | C2C | C1C | NC | 142.7° | 117.9° |
| CMC | C2C | C1C | CHC | 36.3° | 62.5° |
| CMC | C2C | C3C | H3C | 13.5° | 0.6° |
| C2C | CMC | HMC1 | HMC2 | 120.0° | 120.0° |
| C2C | CMC | HMC1 | HMC3 | 120.0° | 119.9° |
| C2C | CMC | HMC2 | HMC3 | 120.0° | 119.9° |
| C2C | C1C | NC | CHC | 179.0° | 179.6° |
| C2C | C1C | CHC | C4B | 172.8° | 179.5° |
| C1C | C2C | C3C | H3C | 121.5° | 119.0° |
| C1C | C2C | CMC | HMC1 | 48.1° | 53.7° |
| C1C | C2C | CMC | HMC2 | 168.1° | 66.3° |
| C1C | C2C | CMC | HMC3 | 71.9° | 173.7° |
| C2C | C1C | CHC | HHC | 7.2° | 0.4° |
| NC | C1C | CHC | C4B | 6.1° | 1.0° |
| NC | C1C | C2C | H2C | 105.8° | 119.0° |
| NC | C1C | CHC | HHC | 173.9° | 179.1° |
| C1C | CHC | C4B | HHC | 180.0° | 180.0° |
| C1C | CHC | C4B | C3B | 176.0° | 179.3° |
| C1C | CHC | C4B | NB | 7.3° | 0.9° |
| CHC | C1C | C2C | H2C | 75.1° | 60.6° |
| CHC | C4B | C3B | NB | 177.3° | 179.8° |
| CHC | C4B | C3B | CAB | 2.7° | 0.7° |
| CHC | C4B | C3B | C2B | 177.5° | 179.4° |
| CHC | C4B | NB | C1B | 178.3° | 179.2° |
| CHC | C4B | NB | HB | 1.6° | 0.7° |
| C4B | C3B | CAB | C2B | 179.7° | 179.9° |
| C4B | C3B | CAB | CBB | 18.4° | 94.8° |
| C4B | C3B | CAB | OBB | 163.8° | 85.2° |
| C4B | C3B | C2B | CMB | 178.3° | 179.8° |
| C4B | C3B | C2B | C1B | 0.6° | 0.1° |
| C3B | C4B | NB | C1B | 1.0° | 0.6° |
| C3B | C4B | CHC | HHC | 4.0° | 0.7° |
| C3B | C4B | NB | HB | 179.0° | 179.5° |
| NB | C4B | C3B | CAB | 180.0° | 179.5° |
| NB | C4B | C3B | C2B | 0.2° | 0.4° |
| C4B | NB | C1B | C2B | 1.4° | 0.5° |
| C4B | NB | C1B | HB | 180.0° | 179.9° |
| C4B | NB | C1B | CHB | 178.0° | 179.2° |
| NB | C4B | CHC | HHC | 172.7° | 179.0° |
| C3B | CAB | CBB | OBB | 178.0° | 180.0° |
| CAB | C3B | C2B | CMB | 1.4° | 0.2° |
| CAB | C3B | C2B | C1B | 179.1° | 179.8° |
| C3B | CAB | CBB | HBB1 | 178.0° | 85.0° |
| C3B | CAB | CBB | HBB2 | 62.0° | 155.0° |
| C3B | CAB | CBB | HBB3 | 58.0° | 35.0° |
| C2B | C3B | CAB | CBB | 161.3° | 85.3° |
| C2B | C3B | CAB | OBB | 16.5° | 94.7° |
| C3B | C2B | CMB | C1B | 177.4° | 179.9° |
| C3B | C2B | C1B | NB | 1.2° | 0.2° |
| C3B | C2B | C1B | CHB | 178.2° | 179.5° |
| C3B | C2B | CMB | HMB1 | 88.6° | 90.0° |
| C3B | C2B | CMB | HMB2 | 151.4° | 150.0° |
| C3B | C2B | CMB | HMB3 | 31.5° | 30.0° |
| CAB | CBB | HBB1 | HBB2 | 120.0° | 120.0° |
| CAB | CBB | HBB1 | HBB3 | 120.0° | 120.0° |
| CAB | CBB | HBB2 | HBB3 | 120.0° | 120.0° |
| OBB | CAB | CBB | HBB1 | 0.0° | 95.0° |
| OBB | CAB | CBB | HBB2 | 120.0° | 25.0° |
| OBB | CAB | CBB | HBB3 | 120.0° | 145.0° |
| CMB | C2B | C1B | NB | 179.1° | 179.8° |
| CMB | C2B | C1B | CHB | 0.3° | 0.4° |
| C2B | CMB | HMB1 | HMB2 | 120.0° | 120.0° |
| C2B | CMB | HMB1 | HMB3 | 120.0° | 120.0° |
| C2B | CMB | HMB2 | HMB3 | 120.0° | 120.0° |
| C2B | C1B | NB | CHB | 179.4° | 179.7° |
| C2B | C1B | CHB | C4A | 175.0° | 178.9° |
| C1B | C2B | CMB | HMB1 | 88.9° | 90.0° |
| C1B | C2B | CMB | HMB2 | 31.2° | 30.0° |
| C1B | C2B | CMB | HMB3 | 151.1° | 150.0° |
| C2B | C1B | NB | HB | 178.6° | 179.5° |
| C2B | C1B | CHB | HHB | 5.1° | 1.1° |
| NB | C1B | CHB | C4A | 5.8° | 1.4° |
| NB | C1B | CHB | HHB | 174.2° | 178.6° |
| C1B | CHB | C4A | HHB | 180.0° | 180.0° |
| C1B | CHB | C4A | C3A | 176.1° | 179.8° |
| C1B | CHB | C4A | NA | 0.9° | 0.1° |
| CHB | C1B | NB | HB | 2.0° | 0.7° |
| CHB | C4A | C3A | NA | 177.3° | 180.0° |
| CHB | C4A | C3A | CMA | 76.7° | 62.4° |
| CHB | C4A | C3A | C2A | 175.2° | 179.2° |
| CHB | C4A | NA | C1A | 177.7° | 179.4° |
| CHB | C4A | C3A | H3A | 50.5° | 60.7° |
| C4A | C3A | CMA | C2A | 109.1° | 113.6° |
| C4A | C3A | CMA | H3A | 127.5° | 123.2° |
| C4A | C3A | C2A | H3A | 125.1° | 118.4° |
| C4A | C3A | C2A | C1A | 6.7° | 0.8° |
| C4A | C3A | C2A | CAA | 100.8° | 117.6° |
| C3A | C4A | NA | C1A | 4.9° | 0.6° |
| C3A | C4A | CHB | HHB | 3.8° | 0.1° |
| C4A | C3A | CMA | HMA1 | 180.0° | 58.6° |
| C4A | C3A | CMA | HMA2 | 60.0° | 178.6° |
| C4A | C3A | CMA | HMA3 | 60.0° | 61.5° |
| C4A | C3A | C2A | H2A | 132.5° | 119.3° |
| NA | C4A | C3A | CMA | 100.6° | 117.5° |
| NA | C4A | C3A | C2A | 7.5° | 0.9° |
| C4A | NA | C1A | C2A | 0.1° | 0.1° |
| NA | C4A | CHB | HHB | 179.2° | 179.9° |
| NA | C4A | C3A | H3A | 132.2° | 119.3° |
| CMA | C3A | C2A | H3A | 123.3° | 123.1° |
| CMA | C3A | C2A | C1A | 105.0° | 117.6° |
| CMA | C3A | C2A | CAA | 147.5° | 124.0° |
| C3A | CMA | HMA1 | HMA2 | 120.0° | 120.0° |
| C3A | CMA | HMA1 | HMA3 | 120.0° | 120.0° |
| C3A | CMA | HMA2 | HMA3 | 120.0° | 120.0° |
| CMA | C3A | C2A | H2A | 20.8° | 0.9° |
| C3A | C2A | C1A | CAA | 109.7° | 118.4° |
| C3A | C2A | C1A | H2A | 125.4° | 118.5° |
| C3A | C2A | CAA | H2A | 127.0° | 123.2° |
| C3A | C2A | C1A | NA | 4.4° | 0.5° |
| C3A | C2A | CAA | CBA | 81.3° | 64.8° |
| C2A | C3A | CMA | HMA1 | 70.9° | 55.1° |
| C2A | C3A | CMA | HMA2 | 169.1° | 65.0° |
| C2A | C3A | CMA | HMA3 | 49.1° | 175.1° |
| C3A | C2A | CAA | HAA1 | 158.0° | 175.2° |
| C3A | C2A | CAA | HAA2 | 39.3° | 55.2° |
| C1A | C2A | CAA | H2A | 125.4° | 123.1° |
| C1A | C2A | CAA | CBA | 171.1° | 178.5° |
| C1A | C2A | C3A | H3A | 131.8° | 119.2° |
| C1A | C2A | CAA | HAA1 | 50.4° | 61.5° |
| C1A | C2A | CAA | HAA2 | 68.3° | 58.4° |
| CAA | C2A | C1A | NA | 105.3° | 117.9° |
| C2A | CAA | CBA | HAA1 | 120.7° | 120.0° |
| C2A | CAA | CBA | HAA2 | 120.6° | 120.0° |
| C2A | CAA | CBA | CGA | 178.7° | 176.0° |
| CAA | C2A | C3A | H3A | 24.3° | 0.8° |
| C2A | CAA | HAA1 | HAA2 | 118.0° | 120.0° |
| C2A | CAA | CBA | HBA1 | 57.6° | 56.0° |
| C2A | CAA | CBA | HBA2 | 60.3° | 63.9° |
| NA | C1A | C2A | H2A | 129.8° | 119.0° |
| CAA | CBA | CGA | HBA1 | 121.0° | 120.0° |
| CAA | CBA | CGA | HBA2 | 121.1° | 120.1° |
| CAA | CBA | CGA | O1A | 0.7° | 0.1° |
| CAA | CBA | CGA | O2A | 179.7° | 180.0° |
| CBA | CAA | C2A | H2A | 45.7° | 58.4° |
| CBA | CAA | HAA1 | HAA2 | 118.0° | 120.0° |
| CAA | CBA | HBA1 | HBA2 | 116.7° | 120.0° |
| CBA | CGA | O1A | O2A | 179.5° | 179.9° |
| CBA | CGA | O2A | C1 | 177.8° | 180.0° |
| CGA | CBA | CAA | HAA1 | 60.7° | 63.9° |
| CGA | CBA | CAA | HAA2 | 58.0° | 56.0° |
| CGA | CBA | HBA1 | HBA2 | 116.7° | 120.0° |
| O1A | CGA | O2A | C1 | 2.6° | 0.0° |
| O1A | CGA | CBA | HBA1 | 121.8° | 120.0° |
| O1A | CGA | CBA | HBA2 | 120.3° | 120.0° |
| CGA | O2A | C1 | C2 | 99.5° | 180.0° |
| O2A | CGA | CBA | HBA1 | 58.7° | 60.0° |
| O2A | CGA | CBA | HBA2 | 59.2° | 59.9° |
| CGA | O2A | C1 | H1C1 | 141.0° | 60.1° |
| CGA | O2A | C1 | H1C2 | 20.0° | 60.0° |
| O2A | C1 | C2 | H1C1 | 119.5° | 120.0° |
| O2A | C1 | C2 | H1C2 | 119.5° | 120.0° |
| O2A | C1 | C2 | C3 | 59.3° | 133.4° |
| O2A | C1 | H1C1 | H1C2 | 121.6° | 120.0° |
| O2A | C1 | C2 | H2 | 120.7° | 46.5° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.4° | 5.8° |
| C1 | C2 | C3 | C5 | 177.5° | 174.3° |
| C2 | C1 | H1C1 | H1C2 | 121.6° | 120.0° |
| C2 | C3 | C4 | C5 | 179.0° | 179.9° |
| C2 | C3 | C5 | C6 | 9.1° | 94.9° |
| C3 | C2 | C1 | H1C1 | 60.2° | 106.6° |
| C3 | C2 | C1 | H1C2 | 178.7° | 13.4° |
| C2 | C3 | C4 | H4C1 | 180.0° | 85.0° |
| C2 | C3 | C4 | H4C2 | 60.0° | 155.0° |
| C2 | C3 | C4 | H4C3 | 60.0° | 35.0° |
| C2 | C3 | C5 | H5C1 | 111.2° | 145.1° |
| C2 | C3 | C5 | H5C2 | 129.5° | 25.1° |
| C4 | C3 | C5 | C6 | 171.9° | 85.0° |
| C4 | C3 | C2 | H2 | 178.6° | 174.3° |
| C3 | C4 | H4C1 | H4C2 | 120.0° | 120.0° |
| C3 | C4 | H4C1 | H4C3 | 120.0° | 120.0° |
| C3 | C4 | H4C2 | H4C3 | 120.0° | 120.0° |
| C4 | C3 | C5 | H5C1 | 67.8° | 35.0° |
| C4 | C3 | C5 | H5C2 | 51.5° | 155.0° |
| C3 | C5 | C6 | H5C1 | 120.3° | 120.0° |
| C3 | C5 | C6 | H5C2 | 120.4° | 120.0° |
| C3 | C5 | C6 | C7 | 171.2° | 180.0° |
| C5 | C3 | C2 | H2 | 2.6° | 5.6° |
| C5 | C3 | C4 | H4C1 | 1.0° | 95.2° |
| C5 | C3 | C4 | H4C2 | 119.0° | 24.9° |
| C5 | C3 | C4 | H4C3 | 121.0° | 144.9° |
| C3 | C5 | H5C1 | H5C2 | 118.9° | 120.0° |
| C3 | C5 | C6 | H6C1 | 51.6° | 60.0° |
| C3 | C5 | C6 | H6C2 | 69.1° | 60.0° |
| C5 | C6 | C7 | H6C1 | 119.6° | 120.0° |
| C5 | C6 | C7 | H6C2 | 119.6° | 120.0° |
| C5 | C6 | C7 | C8 | 177.8° | 180.0° |
| C6 | C5 | H5C1 | H5C2 | 118.9° | 120.0° |
| C5 | C6 | H6C1 | H6C2 | 121.0° | 120.0° |
| C5 | C6 | C7 | H7C1 | 61.8° | 60.0° |
| C5 | C6 | C7 | H7C2 | 57.3° | 60.0° |
| C6 | C7 | C8 | H7C1 | 120.5° | 120.0° |
| C6 | C7 | C8 | H7C2 | 120.5° | 120.0° |
| C6 | C7 | C8 | C9 | 71.9° | 65.0° |
| C6 | C7 | C8 | C10 | 161.4° | 175.0° |
| C7 | C6 | C5 | H5C1 | 68.5° | 60.0° |
| C7 | C6 | C5 | H5C2 | 50.8° | 60.0° |
| C7 | C6 | H6C1 | H6C2 | 121.1° | 120.0° |
| C6 | C7 | H7C1 | H7C2 | 118.6° | 120.0° |
| C6 | C7 | C8 | H8 | 45.5° | 55.0° |
| C7 | C8 | C9 | C10 | 124.1° | 120.0° |
| C7 | C8 | C9 | H8 | 117.5° | 120.0° |
| C7 | C8 | C10 | H8 | 115.9° | 120.0° |
| C7 | C8 | C10 | C11 | 77.9° | 175.0° |
| C8 | C7 | C6 | H6C1 | 58.1° | 60.0° |
| C8 | C7 | C6 | H6C2 | 62.6° | 60.0° |
| C8 | C7 | H7C1 | H7C2 | 118.6° | 120.0° |
| C7 | C8 | C9 | H9C1 | 180.0° | 60.0° |
| C7 | C8 | C9 | H9C2 | 60.0° | 60.0° |
| C7 | C8 | C9 | H9C3 | 60.0° | 180.0° |
| C7 | C8 | C10 | H101 | 42.3° | 55.0° |
| C7 | C8 | C10 | H102 | 162.0° | 65.0° |
| C9 | C8 | C10 | H8 | 118.4° | 120.0° |
| C9 | C8 | C10 | C11 | 156.3° | 65.0° |
| C9 | C8 | C7 | H7C1 | 167.6° | 175.0° |
| C9 | C8 | C7 | H7C2 | 48.5° | 55.0° |
| C8 | C9 | H9C1 | H9C2 | 120.0° | 120.0° |
| C8 | C9 | H9C1 | H9C3 | 120.0° | 120.0° |
| C8 | C9 | H9C2 | H9C3 | 120.0° | 120.0° |
| C9 | C8 | C10 | H101 | 83.5° | 175.0° |
| C9 | C8 | C10 | H102 | 36.2° | 55.0° |
| C8 | C10 | C11 | H101 | 120.2° | 120.0° |
| C8 | C10 | C11 | H102 | 120.2° | 120.0° |
| C8 | C10 | C11 | C12 | 86.2° | 180.0° |
| C10 | C8 | C7 | H7C1 | 40.9° | 55.0° |
| C10 | C8 | C7 | H7C2 | 78.1° | 65.0° |
| C10 | C8 | C9 | H9C1 | 55.9° | 60.0° |
| C10 | C8 | C9 | H9C2 | 64.1° | 180.0° |
| C10 | C8 | C9 | H9C3 | 175.9° | 60.0° |
| C8 | C10 | H101 | H102 | 119.6° | 120.1° |
| C8 | C10 | C11 | H111 | 34.1° | 60.0° |
| C8 | C10 | C11 | H112 | 153.5° | 60.0° |
| C10 | C11 | C12 | H111 | 120.3° | 120.0° |
| C10 | C11 | C12 | H112 | 120.3° | 120.0° |
| C10 | C11 | C12 | C13 | 170.9° | 180.0° |
| C11 | C10 | C8 | H8 | 38.0° | 55.0° |
| C11 | C10 | H101 | H102 | 119.5° | 120.0° |
| C10 | C11 | H111 | H112 | 119.0° | 120.0° |
| C10 | C11 | C12 | H121 | 68.4° | 60.0° |
| C10 | C11 | C12 | H122 | 50.3° | 60.0° |
| C11 | C12 | C13 | H121 | 120.6° | 120.0° |
| C11 | C12 | C13 | H122 | 120.7° | 120.0° |
| C11 | C12 | C13 | C14 | 169.7° | 65.0° |
| C11 | C12 | C13 | C15 | 58.9° | 175.0° |
| C12 | C11 | C10 | H101 | 153.7° | 60.0° |
| C12 | C11 | C10 | H102 | 34.0° | 60.0° |
| C12 | C11 | H111 | H112 | 119.0° | 120.0° |
| C11 | C12 | H121 | H122 | 118.0° | 120.0° |
| C11 | C12 | C13 | H13 | 55.5° | 55.0° |
| C12 | C13 | C14 | C15 | 130.3° | 120.0° |
| C12 | C13 | C14 | H13 | 114.1° | 120.0° |
| C12 | C13 | C15 | H13 | 114.5° | 120.0° |
| C12 | C13 | C15 | C16 | 171.7° | 175.0° |
| C13 | C12 | C11 | H111 | 50.6° | 60.0° |
| C13 | C12 | C11 | H112 | 68.7° | 60.0° |
| C13 | C12 | H121 | H122 | 118.0° | 119.9° |
| C12 | C13 | C14 | H141 | 180.0° | 60.0° |
| C12 | C13 | C14 | H142 | 60.0° | 60.0° |
| C12 | C13 | C14 | H143 | 60.0° | 180.0° |
| C12 | C13 | C15 | H151 | 67.6° | 55.0° |
| C12 | C13 | C15 | H152 | 51.0° | 65.0° |
| C14 | C13 | C15 | H13 | 115.7° | 120.0° |
| C14 | C13 | C15 | C16 | 41.9° | 65.0° |
| C14 | C13 | C12 | H121 | 69.7° | 175.0° |
| C14 | C13 | C12 | H122 | 49.0° | 55.0° |
| C13 | C14 | H141 | H142 | 120.0° | 120.1° |
| C13 | C14 | H141 | H143 | 120.0° | 120.1° |
| C13 | C14 | H142 | H143 | 120.0° | 120.1° |
| C14 | C13 | C15 | H151 | 162.6° | 175.0° |
| C14 | C13 | C15 | H152 | 78.8° | 55.0° |
| C13 | C15 | C16 | H151 | 120.7° | 120.1° |
| C13 | C15 | C16 | H152 | 120.7° | 120.0° |
| C13 | C15 | C16 | C17 | 161.7° | 180.0° |
| C15 | C13 | C12 | H121 | 61.7° | 55.0° |
| C15 | C13 | C12 | H122 | 179.6° | 65.0° |
| C15 | C13 | C14 | H141 | 49.7° | 60.0° |
| C15 | C13 | C14 | H142 | 70.3° | 180.0° |
| C15 | C13 | C14 | H143 | 169.7° | 60.0° |
| C13 | C15 | H151 | H152 | 117.9° | 120.0° |
| C13 | C15 | C16 | H161 | 77.8° | 59.9° |
| C13 | C15 | C16 | H162 | 41.3° | 60.0° |
| C15 | C16 | C17 | H161 | 120.5° | 120.0° |
| C15 | C16 | C17 | H162 | 120.5° | 120.0° |
| C15 | C16 | C17 | C18 | 160.8° | 180.0° |
| C16 | C15 | C13 | H13 | 73.8° | 55.0° |
| C16 | C15 | H151 | H152 | 117.9° | 119.9° |
| C15 | C16 | H161 | H162 | 118.6° | 119.9° |
| C15 | C16 | C17 | H171 | 39.8° | 60.0° |
| C15 | C16 | C17 | H172 | 78.2° | 60.1° |
| C16 | C17 | C18 | H171 | 121.0° | 120.0° |
| C16 | C17 | C18 | H172 | 121.0° | 120.0° |
| C16 | C17 | C18 | C19 | 44.3° | 65.0° |
| C16 | C17 | C18 | C20 | 169.5° | 175.0° |
| C17 | C16 | C15 | H151 | 41.0° | 59.9° |
| C17 | C16 | C15 | H152 | 77.6° | 60.0° |
| C17 | C16 | H161 | H162 | 118.6° | 120.0° |
| C16 | C17 | H171 | H172 | 116.8° | 120.0° |
| C16 | C17 | C18 | H18 | 73.7° | 55.0° |
| C17 | C18 | C19 | C20 | 127.5° | 119.9° |
| C17 | C18 | C19 | H18 | 118.0° | 120.0° |
| C17 | C18 | C20 | H18 | 116.7° | 120.0° |
| C18 | C17 | C16 | H161 | 78.7° | 60.0° |
| C18 | C17 | C16 | H162 | 40.3° | 60.0° |
| C18 | C17 | H171 | H172 | 116.7° | 120.0° |
| C17 | C18 | C19 | H191 | 180.0° | 60.0° |
| C17 | C18 | C19 | H192 | 60.0° | 60.0° |
| C17 | C18 | C19 | H193 | 60.0° | 179.9° |
| C17 | C18 | C20 | H201 | 180.0° | 60.0° |
| C17 | C18 | C20 | H202 | 60.0° | 180.0° |
| C17 | C18 | C20 | H203 | 60.0° | 60.0° |
| C19 | C18 | C20 | H18 | 114.5° | 120.1° |
| C19 | C18 | C17 | H171 | 165.4° | 54.9° |
| C19 | C18 | C17 | H172 | 76.7° | 175.0° |
| C18 | C19 | H191 | H192 | 120.0° | 120.0° |
| C18 | C19 | H191 | H193 | 120.0° | 120.0° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| C19 | C18 | C20 | H201 | 51.2° | 180.0° |
| C19 | C18 | C20 | H202 | 171.2° | 60.1° |
| C19 | C18 | C20 | H203 | 68.8° | 60.0° |
| C20 | C18 | C17 | H171 | 69.4° | 65.0° |
| C20 | C18 | C17 | H172 | 48.5° | 55.1° |
| C20 | C18 | C19 | H191 | 52.5° | 180.0° |
| C20 | C18 | C19 | H192 | 67.5° | 60.0° |
| C20 | C18 | C19 | H193 | 172.5° | 60.0° |
| C18 | C20 | H201 | H202 | 120.0° | 119.9° |
| C18 | C20 | H201 | H203 | 120.0° | 120.0° |
| C18 | C20 | H202 | H203 | 120.0° | 120.0° |
| HED1 | CED | HED2 | HED3 | 120.0° | 120.0° |
| HMD1 | CMD | HMD2 | HMD3 | 120.0° | 120.0° |
| H3C | C3C | CAC | HAC1 | 117.4° | 172.6° |
| H3C | C3C | CAC | HAC2 | 125.1° | 67.5° |
| H3C | C3C | C2C | H2C | 130.3° | 122.6° |
| HAC1 | CAC | CBC | HBC1 | 58.7° | 174.8° |
| HAC1 | CAC | CBC | HBC2 | 178.7° | 54.8° |
| HAC1 | CAC | CBC | HBC3 | 61.2° | 65.2° |
| HAC2 | CAC | CBC | HBC1 | 58.8° | 65.1° |
| HAC2 | CAC | CBC | HBC2 | 61.2° | 174.8° |
| HAC2 | CAC | CBC | HBC3 | 178.7° | 54.8° |
| HBC1 | CBC | HBC2 | HBC3 | 120.0° | 119.9° |
| H2C | C2C | CMC | HMC1 | 63.4° | 176.8° |
| H2C | C2C | CMC | HMC2 | 56.6° | 56.8° |
| H2C | C2C | CMC | HMC3 | 176.6° | 63.2° |
| HMC1 | CMC | HMC2 | HMC3 | 120.0° | 120.1° |
| HBB1 | CBB | HBB2 | HBB3 | 120.0° | 120.0° |
| HMB1 | CMB | HMB2 | HMB3 | 120.0° | 120.0° |
| H3A | C3A | CMA | HMA1 | 52.4° | 178.2° |
| H3A | C3A | CMA | HMA2 | 67.6° | 58.2° |
| H3A | C3A | CMA | HMA3 | 172.5° | 61.7° |
| H3A | C3A | C2A | H2A | 102.5° | 122.3° |
| HMA1 | CMA | HMA2 | HMA3 | 120.0° | 120.0° |
| H2A | C2A | CAA | HAA1 | 75.0° | 61.6° |
| H2A | C2A | CAA | HAA2 | 166.3° | 178.4° |
| HAA1 | CAA | CBA | HBA1 | 178.3° | 176.1° |
| HAA1 | CAA | CBA | HBA2 | 60.4° | 56.1° |
| HAA2 | CAA | CBA | HBA1 | 63.0° | 64.0° |
| HAA2 | CAA | CBA | HBA2 | 179.1° | 176.1° |
| H1C1 | C1 | C2 | H2 | 119.8° | 73.5° |
| H1C2 | C1 | C2 | H2 | 1.3° | 166.5° |
| H4C1 | C4 | H4C2 | H4C3 | 120.0° | 120.0° |
| H5C1 | C5 | C6 | H6C1 | 171.9° | 180.0° |
| H5C1 | C5 | C6 | H6C2 | 51.2° | 59.9° |
| H5C2 | C5 | C6 | H6C1 | 68.8° | 60.0° |
| H5C2 | C5 | C6 | H6C2 | 170.5° | 180.0° |
| H6C1 | C6 | C7 | H7C1 | 178.6° | 180.0° |
| H6C1 | C6 | C7 | H7C2 | 62.4° | 60.0° |
| H6C2 | C6 | C7 | H7C1 | 57.9° | 60.0° |
| H6C2 | C6 | C7 | H7C2 | 176.9° | 179.9° |
| H7C1 | C7 | C8 | H8 | 75.0° | 65.0° |
| H7C2 | C7 | C8 | H8 | 166.0° | 175.0° |
| H8 | C8 | C9 | H9C1 | 62.5° | NaN° |
| H8 | C8 | C9 | H9C2 | 177.5° | 60.0° |
| H8 | C8 | C9 | H9C3 | 57.5° | 60.0° |
| H8 | C8 | C10 | H101 | 158.1° | 64.9° |
| H8 | C8 | C10 | H102 | 82.2° | 175.0° |
| H9C1 | C9 | H9C2 | H9C3 | 120.0° | 120.0° |
| H101 | C10 | C11 | H111 | 86.0° | 180.0° |
| H101 | C10 | C11 | H112 | 33.4° | 60.0° |
| H102 | C10 | C11 | H111 | 154.3° | 60.0° |
| H102 | C10 | C11 | H112 | 86.3° | 180.0° |
| H111 | C11 | C12 | H121 | 171.3° | 180.0° |
| H111 | C11 | C12 | H122 | 70.0° | 60.0° |
| H112 | C11 | C12 | H121 | 51.9° | 60.0° |
| H112 | C11 | C12 | H122 | 170.6° | 180.0° |
| H121 | C12 | C13 | H13 | 176.2° | 65.1° |
| H122 | C12 | C13 | H13 | 65.1° | 175.0° |
| H13 | C13 | C14 | H141 | 65.9° | 180.0° |
| H13 | C13 | C14 | H142 | 174.0° | 60.0° |
| H13 | C13 | C14 | H143 | 54.1° | 60.0° |
| H13 | C13 | C15 | H151 | 46.9° | 65.1° |
| H13 | C13 | C15 | H152 | 165.5° | 175.0° |
| H141 | C14 | H142 | H143 | 119.9° | 119.9° |
| H151 | C15 | C16 | H161 | 161.5° | 180.0° |
| H151 | C15 | C16 | H162 | 79.4° | 60.1° |
| H152 | C15 | C16 | H161 | 42.9° | 60.1° |
| H152 | C15 | C16 | H162 | 162.0° | 180.0° |
| H161 | C16 | C17 | H171 | 160.2° | 180.0° |
| H161 | C16 | C17 | H172 | 42.3° | 60.0° |
| H162 | C16 | C17 | H171 | 80.7° | 60.0° |
| H162 | C16 | C17 | H172 | 161.4° | 180.0° |
| H171 | C17 | C18 | H18 | 47.3° | 175.0° |
| H172 | C17 | C18 | H18 | 165.2° | 64.9° |
| H18 | C18 | C19 | H191 | 62.0° | 60.0° |
| H18 | C18 | C19 | H192 | 178.0° | 180.0° |
| H18 | C18 | C19 | H193 | 58.0° | 60.0° |
| H18 | C18 | C20 | H201 | 63.3° | 59.9° |
| H18 | C18 | C20 | H202 | 56.7° | 60.0° |
| H18 | C18 | C20 | H203 | 176.7° | 180.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
