3Q8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CMC | C2C | sing | 1.53Å | 1.51Å | |
| CBC | CAC | sing | 1.51Å | 1.52Å | |
| C2C | C1C | sing | 1.52Å | 1.43Å | |
| C2C | C3C | sing | 1.52Å | 1.42Å | |
| O_C | C1C | doub | 1.21Å | 1.25Å | |
| CAC | C3C | doub | 1.34Å | 1.36Å | |
| C1C | N_C | sing | 1.33Å | 1.34Å | |
| C3C | C4C | sing | 1.42Å | 1.37Å | |
| N_C | C4C | doub | 1.30Å | 1.34Å | |
| C4C | CHD | sing | 1.51Å | 1.38Å | |
| CMB | C2B | sing | 1.51Å | 1.54Å | |
| CHD | C1D | sing | 1.51Å | 1.39Å | |
| CAB | CBB | sing | 1.53Å | 1.50Å | |
| CAB | C3B | sing | 1.51Å | 1.37Å | |
| C2B | C3B | doub | 1.34Å | 1.34Å | |
| C2B | C1B | sing | 1.48Å | 1.37Å | |
| C3B | C4B | sing | 1.49Å | 1.35Å | |
| C1D | N_D | sing | 1.36Å | 1.37Å | Aromatic |
| C1D | C2D | doub | 1.35Å | 1.36Å | Aromatic |
| CHB | C1B | sing | 1.51Å | 1.35Å | |
| CHB | C4A | sing | 1.51Å | 1.37Å | |
| C1B | N_B | doub | 1.30Å | 1.33Å | |
| N_D | C4D | sing | 1.36Å | 1.37Å | Aromatic |
| CMD | C2D | sing | 1.51Å | 1.54Å | |
| C2D | C3D | sing | 1.41Å | 1.37Å | Aromatic |
| N_A | C4A | sing | 1.36Å | 1.35Å | Aromatic |
| N_A | C1A | sing | 1.36Å | 1.36Å | Aromatic |
| C4B | N_B | sing | 1.35Å | 1.34Å | |
| C4B | O_B | doub | 1.21Å | 1.23Å | |
| C4A | C3A | doub | 1.35Å | 1.37Å | Aromatic |
| C4D | C3D | doub | 1.35Å | 1.38Å | Aromatic |
| C4D | CHA | sing | 1.51Å | 1.41Å | |
| C3D | CAD | sing | 1.51Å | 1.55Å | |
| C1A | CHA | sing | 1.51Å | 1.42Å | |
| C1A | C2A | doub | 1.35Å | 1.39Å | Aromatic |
| C3A | C2A | sing | 1.41Å | 1.37Å | Aromatic |
| C3A | CMA | sing | 1.51Å | 1.52Å | |
| CAD | CBD | sing | 1.53Å | 1.54Å | |
| C2A | CAA | sing | 1.51Å | 1.56Å | |
| CBD | CGD | sing | 1.51Å | 1.58Å | |
| CAA | CBA | sing | 1.53Å | 1.52Å | |
| CGD | O2D | doub | 1.21Å | 1.25Å | |
| CGD | O1D | sing | 1.34Å | 1.24Å | |
| CBA | CGA | sing | 1.51Å | 1.54Å | |
| O2A | CGA | doub | 1.21Å | 1.24Å | |
| CGA | O1A | sing | 1.34Å | 1.26Å | |
| CMB | H1 | sing | 1.09Å | 1.10Å | |
| CMB | H2 | sing | 1.09Å | 1.10Å | |
| CMB | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CBB | H6 | sing | 1.09Å | 1.10Å | |
| CBB | H7 | sing | 1.09Å | 1.10Å | |
| CBB | H8 | sing | 1.09Å | 1.10Å | |
| CHB | H9 | sing | 1.09Å | 1.10Å | |
| CHB | H10 | sing | 1.09Å | 1.10Å | |
| N_A | H11 | sing | 0.97Å | 1.00Å | |
| CMA | H12 | sing | 1.09Å | 1.10Å | |
| CMA | H13 | sing | 1.09Å | 1.10Å | |
| CMA | H14 | sing | 1.09Å | 1.10Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| CBA | H17 | sing | 1.09Å | 1.10Å | |
| CBA | H18 | sing | 1.09Å | 1.10Å | |
| O1A | H19 | sing | 0.97Å | 0.95Å | |
| CHA | H20 | sing | 1.09Å | 1.10Å | |
| CHA | H21 | sing | 1.09Å | 1.10Å | |
| N_D | H22 | sing | 0.97Å | 1.00Å | |
| CAD | H23 | sing | 1.09Å | 1.10Å | |
| CAD | H24 | sing | 1.09Å | 1.10Å | |
| CBD | H25 | sing | 1.09Å | 1.10Å | |
| CBD | H26 | sing | 1.09Å | 1.10Å | |
| O1D | H27 | sing | 0.97Å | 0.95Å | |
| CMD | H28 | sing | 1.09Å | 1.10Å | |
| CMD | H29 | sing | 1.09Å | 1.10Å | |
| CMD | H30 | sing | 1.09Å | 1.10Å | |
| CHD | H31 | sing | 1.09Å | 1.10Å | |
| CHD | H32 | sing | 1.09Å | 1.10Å | |
| C2C | H33 | sing | 1.09Å | 1.10Å | |
| CMC | H34 | sing | 1.09Å | 1.10Å | |
| CMC | H35 | sing | 1.09Å | 1.10Å | |
| CMC | H36 | sing | 1.09Å | 1.10Å | |
| CAC | H37 | sing | 1.08Å | 1.08Å | |
| CBC | H38 | sing | 1.09Å | 1.10Å | |
| CBC | H39 | sing | 1.09Å | 1.10Å | |
| CBC | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CMC | C2C | C1C | 125.9° | 110.8° |
| CMC | C2C | C3C | 126.2° | 110.6° |
| CMC | C2C | H33 | 98.3° | 110.8° |
| C2C | CMC | H34 | 109.5° | 109.5° |
| C2C | CMC | H35 | 109.5° | 109.5° |
| C2C | CMC | H36 | 109.5° | 109.5° |
| CBC | CAC | C3C | 125.9° | 120.0° |
| CBC | CAC | H37 | 117.1° | 120.0° |
| CAC | CBC | H38 | 109.5° | 109.5° |
| CAC | CBC | H39 | 109.5° | 109.4° |
| CAC | CBC | H40 | 109.5° | 109.5° |
| C1C | C2C | C3C | 101.2° | 102.8° |
| C2C | C1C | O_C | 123.7° | 126.5° |
| C2C | C1C | N_C | 111.4° | 106.9° |
| C1C | C2C | H33 | 98.7° | 110.7° |
| C2C | C3C | CAC | 126.4° | 127.7° |
| C2C | C3C | C4C | 110.2° | 104.6° |
| C3C | C2C | H33 | 98.8° | 110.9° |
| O_C | C1C | N_C | 124.9° | 126.6° |
| CAC | C3C | C4C | 123.4° | 127.7° |
| C3C | CAC | H37 | 117.0° | 120.0° |
| C1C | N_C | C4C | 108.7° | 114.1° |
| C3C | C4C | N_C | 108.4° | 111.6° |
| C3C | C4C | CHD | 123.4° | 124.2° |
| N_C | C4C | CHD | 128.1° | 124.2° |
| C4C | CHD | C1D | 131.6° | 109.5° |
| C4C | CHD | H31 | 103.7° | 109.4° |
| C4C | CHD | H32 | 103.7° | 109.5° |
| CMB | C2B | C3B | 122.4° | 126.6° |
| CMB | C2B | C1B | 127.8° | 126.7° |
| C2B | CMB | H1 | 109.5° | 109.5° |
| C2B | CMB | H2 | 109.5° | 109.4° |
| C2B | CMB | H3 | 109.5° | 109.4° |
| CHD | C1D | N_D | 132.8° | 125.9° |
| CHD | C1D | C2D | 121.8° | 125.9° |
| C1D | CHD | H31 | 103.7° | 109.5° |
| C1D | CHD | H32 | 103.7° | 109.5° |
| CBB | CAB | C3B | 124.4° | 109.5° |
| CBB | CAB | H4 | 105.6° | 109.5° |
| CBB | CAB | H5 | 105.6° | 109.5° |
| CAB | CBB | H6 | 109.5° | 109.5° |
| CAB | CBB | H7 | 109.5° | 109.5° |
| CAB | CBB | H8 | 109.5° | 109.5° |
| CAB | C3B | C2B | 123.2° | 127.1° |
| CAB | C3B | C4B | 131.2° | 127.1° |
| C3B | CAB | H4 | 105.6° | 109.4° |
| C3B | CAB | H5 | 105.6° | 109.5° |
| C3B | C2B | C1B | 109.7° | 106.7° |
| C2B | C3B | C4B | 105.5° | 105.8° |
| C2B | C1B | CHB | 127.9° | 125.3° |
| C2B | C1B | N_B | 106.6° | 109.4° |
| C3B | C4B | N_B | 110.4° | 107.8° |
| C3B | C4B | O_B | 127.0° | 126.1° |
| N_D | C1D | C2D | 105.3° | 108.3° |
| C1D | N_D | C4D | 111.5° | 108.7° |
| C1D | N_D | H22 | 124.3° | 125.7° |
| C1D | C2D | CMD | 126.1° | 126.3° |
| C1D | C2D | C3D | 109.6° | 107.4° |
| C1B | CHB | C4A | 128.3° | 109.4° |
| CHB | C1B | N_B | 125.4° | 125.3° |
| C1B | CHB | H9 | 104.6° | 109.5° |
| C1B | CHB | H10 | 104.6° | 109.5° |
| CHB | C4A | N_A | 120.9° | 125.9° |
| CHB | C4A | C3A | 132.5° | 125.9° |
| C4A | CHB | H9 | 104.6° | 109.5° |
| C4A | CHB | H10 | 104.6° | 109.5° |
| C1B | N_B | C4B | 107.7° | 110.3° |
| N_D | C4D | C3D | 105.1° | 108.3° |
| N_D | C4D | CHA | 130.4° | 125.9° |
| C4D | N_D | H22 | 124.2° | 125.7° |
| CMD | C2D | C3D | 124.3° | 126.3° |
| C2D | CMD | H28 | 109.5° | 109.5° |
| C2D | CMD | H29 | 109.5° | 109.5° |
| C2D | CMD | H30 | 109.4° | 109.5° |
| C2D | C3D | C4D | 108.5° | 107.4° |
| C2D | C3D | CAD | 121.9° | 126.3° |
| C4A | N_A | C1A | 111.8° | 108.7° |
| N_A | C4A | C3A | 106.6° | 108.3° |
| C4A | N_A | H11 | 124.1° | 125.6° |
| N_A | C1A | CHA | 129.3° | 125.9° |
| N_A | C1A | C2A | 104.4° | 108.2° |
| C1A | N_A | H11 | 124.1° | 125.7° |
| N_B | C4B | O_B | 122.6° | 126.1° |
| C4A | C3A | C2A | 107.6° | 107.4° |
| C4A | C3A | CMA | 126.5° | 126.3° |
| C3D | C4D | CHA | 124.4° | 125.9° |
| C4D | C3D | CAD | 129.7° | 126.3° |
| C4D | CHA | C1A | 130.9° | 109.5° |
| C4D | CHA | H20 | 103.9° | 109.4° |
| C4D | CHA | H21 | 103.9° | 109.5° |
| C3D | CAD | CBD | 109.6° | 109.5° |
| C3D | CAD | H23 | 109.4° | 109.5° |
| C3D | CAD | H24 | 109.4° | 109.5° |
| CHA | C1A | C2A | 126.2° | 125.9° |
| C1A | CHA | H20 | 103.9° | 109.5° |
| C1A | CHA | H21 | 103.9° | 109.5° |
| C1A | C2A | C3A | 109.6° | 107.4° |
| C1A | C2A | CAA | 123.2° | 126.3° |
| C2A | C3A | CMA | 125.8° | 126.3° |
| C3A | C2A | CAA | 127.1° | 126.3° |
| C3A | CMA | H12 | 109.5° | 109.5° |
| C3A | CMA | H13 | 109.5° | 109.5° |
| C3A | CMA | H14 | 109.5° | 109.5° |
| CAD | CBD | CGD | 107.4° | 109.5° |
| CBD | CAD | H23 | 109.4° | 109.4° |
| CBD | CAD | H24 | 109.4° | 109.5° |
| CAD | CBD | H25 | 110.0° | 109.4° |
| CAD | CBD | H26 | 110.0° | 109.5° |
| C2A | CAA | CBA | 116.8° | 109.5° |
| C2A | CAA | H15 | 107.6° | 109.5° |
| C2A | CAA | H16 | 107.6° | 109.5° |
| CBD | CGD | O2D | 120.6° | 120.0° |
| CBD | CGD | O1D | 117.5° | 120.0° |
| CGD | CBD | H25 | 110.0° | 109.5° |
| CGD | CBD | H26 | 110.0° | 109.4° |
| CAA | CBA | CGA | 114.7° | 109.4° |
| CBA | CAA | H15 | 107.6° | 109.5° |
| CBA | CAA | H16 | 107.6° | 109.5° |
| CAA | CBA | H17 | 108.1° | 109.5° |
| CAA | CBA | H18 | 108.1° | 109.5° |
| O2D | CGD | O1D | 121.9° | 120.0° |
| CGD | O1D | H27 | 109.5° | 117.0° |
| CBA | CGA | O2A | 115.9° | 120.0° |
| CBA | CGA | O1A | 118.5° | 120.0° |
| CGA | CBA | H17 | 108.2° | 109.5° |
| CGA | CBA | H18 | 108.2° | 109.5° |
| O2A | CGA | O1A | 125.2° | 120.0° |
| CGA | O1A | H19 | 109.5° | 117.0° |
| H1 | CMB | H2 | 109.4° | 109.5° |
| H1 | CMB | H3 | 109.5° | 109.5° |
| H2 | CMB | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H6 | CBB | H7 | 109.4° | 109.4° |
| H6 | CBB | H8 | 109.5° | 109.4° |
| H7 | CBB | H8 | 109.5° | 109.5° |
| H9 | CHB | H10 | 109.5° | 109.5° |
| H12 | CMA | H13 | 109.5° | 109.4° |
| H12 | CMA | H14 | 109.5° | 109.5° |
| H13 | CMA | H14 | 109.5° | 109.4° |
| H15 | CAA | H16 | 109.5° | 109.5° |
| H17 | CBA | H18 | 109.5° | 109.5° |
| H20 | CHA | H21 | 109.5° | 109.5° |
| H23 | CAD | H24 | 109.5° | 109.4° |
| H25 | CBD | H26 | 109.5° | 109.5° |
| H28 | CMD | H29 | 109.4° | 109.4° |
| H28 | CMD | H30 | 109.5° | 109.5° |
| H29 | CMD | H30 | 109.5° | 109.5° |
| H31 | CHD | H32 | 109.5° | 109.5° |
| H34 | CMC | H35 | 109.5° | 109.4° |
| H34 | CMC | H36 | 109.4° | 109.5° |
| H35 | CMC | H36 | 109.5° | 109.5° |
| H38 | CBC | H39 | 109.5° | 109.5° |
| H38 | CBC | H40 | 109.5° | 109.5° |
| H39 | CBC | H40 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CMC | C2C | C1C | C3C | 152.3° | 118.1° |
| CMC | C2C | C1C | H33 | 106.9° | 123.4° |
| CMC | C2C | C3C | H33 | 107.1° | 123.4° |
| CMC | C2C | C1C | O_C | 28.3° | 61.6° |
| CMC | C2C | C3C | CAC | 25.7° | 61.7° |
| CMC | C2C | C1C | N_C | 154.7° | 118.3° |
| CMC | C2C | C3C | C4C | 153.5° | 118.5° |
| C2C | CMC | H34 | H35 | 120.0° | 120.0° |
| C2C | CMC | H34 | H36 | 120.0° | 120.0° |
| C2C | CMC | H35 | H36 | 120.0° | 120.0° |
| CBC | CAC | C3C | C2C | 0.9° | 0.1° |
| CBC | CAC | C3C | H37 | 180.0° | 179.9° |
| CBC | CAC | C3C | C4C | 178.3° | 179.6° |
| CAC | CBC | H38 | H39 | 120.0° | 119.9° |
| CAC | CBC | H38 | H40 | 120.0° | 120.0° |
| CAC | CBC | H39 | H40 | 120.0° | 120.0° |
| C1C | C2C | C3C | H33 | 100.7° | 118.4° |
| C2C | C1C | O_C | N_C | 176.6° | 179.9° |
| C1C | C2C | C3C | CAC | 177.9° | 179.9° |
| C1C | C2C | C3C | C4C | 1.4° | 0.3° |
| C2C | C1C | N_C | C4C | 2.7° | 0.0° |
| C1C | C2C | CMC | H34 | 180.0° | 58.6° |
| C1C | C2C | CMC | H35 | 60.0° | 178.6° |
| C1C | C2C | CMC | H36 | 60.0° | 61.5° |
| C3C | C2C | C1C | O_C | 179.4° | 179.7° |
| C2C | C3C | CAC | C4C | 179.1° | 179.7° |
| C3C | C2C | C1C | N_C | 2.4° | 0.2° |
| C2C | C3C | C4C | N_C | 0.1° | 0.3° |
| C2C | C3C | C4C | CHD | 176.8° | 179.9° |
| C3C | C2C | CMC | H34 | 34.4° | 54.7° |
| C3C | C2C | CMC | H35 | 154.4° | 65.3° |
| C3C | C2C | CMC | H36 | 85.6° | 174.7° |
| C2C | C3C | CAC | H37 | 179.2° | 180.0° |
| O_C | C1C | N_C | C4C | 179.6° | 180.0° |
| O_C | C1C | C2C | H33 | 78.7° | 61.7° |
| CAC | C3C | C4C | N_C | 179.4° | 179.9° |
| CAC | C3C | C4C | CHD | 3.9° | 0.1° |
| CAC | C3C | C2C | H33 | 81.4° | 61.7° |
| C3C | CAC | CBC | H38 | 180.0° | 59.9° |
| C3C | CAC | CBC | H39 | 60.0° | 60.1° |
| C3C | CAC | CBC | H40 | 60.0° | 179.9° |
| C1C | N_C | C4C | C3C | 1.7° | 0.2° |
| C1C | N_C | C4C | CHD | 178.2° | 180.0° |
| N_C | C1C | C2C | H33 | 98.3° | 118.3° |
| C3C | C4C | N_C | CHD | 176.5° | 179.8° |
| C3C | C4C | CHD | C1D | 178.7° | 179.8° |
| C3C | C4C | CHD | H31 | 55.9° | 59.8° |
| C3C | C4C | CHD | H32 | 58.5° | 60.2° |
| C4C | C3C | C2C | H33 | 99.4° | 118.1° |
| C4C | C3C | CAC | H37 | 1.7° | 0.3° |
| N_C | C4C | CHD | C1D | 2.7° | 0.0° |
| N_C | C4C | CHD | H31 | 120.1° | 120.0° |
| N_C | C4C | CHD | H32 | 125.5° | 120.0° |
| C4C | CHD | C1D | H31 | 122.8° | 119.9° |
| C4C | CHD | C1D | H32 | 122.8° | 120.0° |
| C4C | CHD | C1D | N_D | 9.7° | 95.0° |
| C4C | CHD | C1D | C2D | 172.6° | 84.7° |
| C4C | CHD | H31 | H32 | 110.2° | 120.0° |
| CMB | C2B | C3B | CAB | 0.5° | 0.0° |
| CMB | C2B | C3B | C1B | 177.8° | 179.8° |
| CMB | C2B | C3B | C4B | 179.8° | 180.0° |
| CMB | C2B | C1B | CHB | 4.4° | 0.1° |
| CMB | C2B | C1B | N_B | 178.9° | 179.8° |
| C2B | CMB | H1 | H2 | 120.0° | 120.0° |
| C2B | CMB | H1 | H3 | 120.0° | 120.0° |
| C2B | CMB | H2 | H3 | 120.0° | 119.9° |
| CHD | C1D | N_D | C2D | 177.9° | 179.7° |
| CHD | C1D | N_D | C4D | 178.3° | 180.0° |
| CHD | C1D | C2D | CMD | 1.0° | 0.3° |
| CHD | C1D | C2D | C3D | 178.9° | 179.9° |
| CHD | C1D | N_D | H22 | 1.7° | 0.1° |
| C1D | CHD | H31 | H32 | 110.1° | 120.0° |
| CBB | CAB | C3B | H4 | 122.0° | 120.0° |
| CBB | CAB | C3B | H5 | 122.0° | 120.0° |
| CBB | CAB | C3B | C2B | 174.2° | 95.0° |
| CBB | CAB | C3B | C4B | 5.3° | 85.0° |
| CBB | CAB | H4 | H5 | 113.3° | 120.0° |
| CAB | CBB | H6 | H7 | 120.0° | 120.0° |
| CAB | CBB | H6 | H8 | 120.0° | 120.0° |
| CAB | CBB | H7 | H8 | 120.0° | 120.0° |
| CAB | C3B | C2B | C4B | 179.6° | 180.0° |
| CAB | C3B | C2B | C1B | 178.3° | 179.8° |
| CAB | C3B | C4B | N_B | 178.3° | 180.0° |
| CAB | C3B | C4B | O_B | 0.4° | 0.0° |
| C3B | CAB | H4 | H5 | 113.3° | 120.0° |
| C3B | CAB | CBB | H6 | 180.0° | 60.0° |
| C3B | CAB | CBB | H7 | 60.0° | 60.0° |
| C3B | CAB | CBB | H8 | 60.0° | 180.0° |
| C3B | C2B | C1B | CHB | 178.0° | 179.7° |
| C3B | C2B | C1B | N_B | 1.3° | 0.4° |
| C2B | C3B | C4B | N_B | 2.1° | 0.0° |
| C2B | C3B | C4B | O_B | 179.2° | 180.0° |
| C3B | C2B | CMB | H1 | 180.0° | 89.9° |
| C3B | C2B | CMB | H2 | 60.0° | 150.0° |
| C3B | C2B | CMB | H3 | 60.0° | 30.0° |
| C2B | C3B | CAB | H4 | 63.8° | 145.0° |
| C2B | C3B | CAB | H5 | 52.2° | 25.0° |
| C1B | C2B | C3B | C4B | 2.1° | 0.2° |
| C2B | C1B | CHB | N_B | 176.2° | 179.9° |
| C2B | C1B | CHB | C4A | 150.2° | 179.9° |
| C2B | C1B | N_B | C4B | 0.1° | 0.4° |
| C1B | C2B | CMB | H1 | 2.7° | 90.3° |
| C1B | C2B | CMB | H2 | 117.3° | 29.8° |
| C1B | C2B | CMB | H3 | 122.7° | 149.7° |
| C2B | C1B | CHB | H9 | 27.8° | 60.0° |
| C2B | C1B | CHB | H10 | 87.3° | 60.0° |
| C3B | C4B | N_B | C1B | 1.4° | 0.2° |
| C3B | C4B | N_B | O_B | 178.8° | 180.0° |
| C4B | C3B | CAB | H4 | 116.7° | 35.0° |
| C4B | C3B | CAB | H5 | 127.3° | 155.0° |
| C1D | N_D | C4D | H22 | 180.0° | 179.9° |
| N_D | C1D | C2D | CMD | 179.2° | 180.0° |
| N_D | C1D | C2D | C3D | 0.6° | 0.4° |
| C1D | N_D | C4D | C3D | 0.0° | 0.1° |
| C1D | N_D | C4D | CHA | 177.5° | 179.7° |
| N_D | C1D | CHD | H31 | 113.1° | 25.0° |
| N_D | C1D | CHD | H32 | 132.5° | 145.0° |
| C2D | C1D | N_D | C4D | 0.4° | 0.2° |
| C1D | C2D | CMD | C3D | 179.8° | 179.5° |
| C1D | C2D | C3D | C4D | 0.7° | 0.5° |
| C1D | C2D | C3D | CAD | 179.4° | 179.6° |
| C2D | C1D | N_D | H22 | 179.7° | 179.7° |
| C1D | C2D | CMD | H28 | 90.1° | 90.5° |
| C1D | C2D | CMD | H29 | 149.9° | 29.5° |
| C1D | C2D | CMD | H30 | 29.9° | 149.5° |
| C2D | C1D | CHD | H31 | 64.6° | 155.4° |
| C2D | C1D | CHD | H32 | 49.8° | 35.4° |
| C1B | CHB | C4A | H9 | 122.4° | 120.0° |
| C1B | CHB | C4A | H10 | 122.5° | 120.0° |
| C1B | CHB | C4A | N_A | 157.9° | 94.7° |
| CHB | C1B | N_B | C4B | 176.8° | 179.7° |
| C1B | CHB | C4A | C3A | 22.3° | 85.0° |
| C1B | CHB | H9 | H10 | 111.6° | 120.0° |
| C4A | CHB | C1B | N_B | 33.6° | 0.2° |
| CHB | C4A | N_A | C3A | 179.9° | 179.8° |
| CHB | C4A | N_A | C1A | 177.9° | 180.0° |
| CHB | C4A | C3A | C2A | 178.8° | 180.0° |
| CHB | C4A | C3A | CMA | 2.6° | 0.0° |
| C4A | CHB | H9 | H10 | 111.6° | 120.0° |
| CHB | C4A | N_A | H11 | 2.1° | 0.1° |
| C1B | N_B | C4B | O_B | 179.8° | 179.7° |
| N_B | C1B | CHB | H9 | 156.0° | 120.2° |
| N_B | C1B | CHB | H10 | 88.9° | 119.8° |
| N_D | C4D | C3D | C2D | 0.4° | 0.3° |
| N_D | C4D | C3D | CHA | 177.7° | 179.7° |
| N_D | C4D | C3D | CAD | 179.7° | 179.7° |
| N_D | C4D | CHA | C1A | 10.3° | 94.7° |
| N_D | C4D | CHA | H20 | 133.0° | 145.4° |
| N_D | C4D | CHA | H21 | 112.5° | 25.4° |
| CMD | C2D | C3D | C4D | 179.2° | 180.0° |
| CMD | C2D | C3D | CAD | 0.7° | 0.0° |
| C2D | CMD | H28 | H29 | 120.0° | 120.0° |
| C2D | CMD | H28 | H30 | 120.0° | 120.1° |
| C2D | CMD | H29 | H30 | 120.0° | 120.0° |
| C2D | C3D | C4D | CAD | 179.9° | 179.9° |
| C2D | C3D | C4D | CHA | 178.1° | 180.0° |
| C2D | C3D | CAD | CBD | 115.8° | 89.9° |
| C2D | C3D | CAD | H23 | 124.1° | 30.0° |
| C2D | C3D | CAD | H24 | 4.2° | 150.0° |
| C3D | C2D | CMD | H28 | 90.1° | 90.0° |
| C3D | C2D | CMD | H29 | 29.9° | 150.0° |
| C3D | C2D | CMD | H30 | 149.9° | 30.0° |
| C4A | N_A | C1A | H11 | 180.0° | 179.9° |
| C4A | N_A | C1A | CHA | 179.5° | 180.0° |
| C4A | N_A | C1A | C2A | 2.0° | 0.1° |
| N_A | C4A | C3A | C2A | 1.1° | 0.2° |
| N_A | C4A | C3A | CMA | 177.3° | 179.8° |
| N_A | C4A | CHB | H9 | 79.7° | 145.3° |
| N_A | C4A | CHB | H10 | 35.4° | 25.3° |
| C1A | N_A | C4A | C3A | 1.9° | 0.2° |
| N_A | C1A | CHA | C4D | 0.1° | 95.0° |
| N_A | C1A | CHA | C2A | 178.3° | 179.8° |
| N_A | C1A | C2A | C3A | 1.2° | 0.0° |
| N_A | C1A | C2A | CAA | 177.2° | 179.9° |
| N_A | C1A | CHA | H20 | 122.6° | 25.0° |
| N_A | C1A | CHA | H21 | 122.9° | 145.0° |
| C4A | C3A | C2A | C1A | 0.1° | 0.1° |
| C4A | C3A | C2A | CMA | 176.2° | 180.0° |
| C4A | C3A | C2A | CAA | 175.9° | 180.0° |
| C3A | C4A | CHB | H9 | 100.1° | 35.0° |
| C3A | C4A | CHB | H10 | 144.8° | 155.0° |
| C3A | C4A | N_A | H11 | 178.0° | 179.7° |
| C4A | C3A | CMA | H12 | 87.7° | 90.0° |
| C4A | C3A | CMA | H13 | 152.3° | 150.0° |
| C4A | C3A | CMA | H14 | 32.3° | 30.1° |
| C3D | C4D | CHA | C1A | 172.7° | 84.9° |
| C4D | C3D | CAD | CBD | 64.3° | 90.0° |
| C3D | C4D | CHA | H20 | 49.9° | 35.0° |
| C3D | C4D | CHA | H21 | 64.6° | 155.0° |
| C3D | C4D | N_D | H22 | 179.9° | 179.9° |
| C4D | C3D | CAD | H23 | 55.7° | 150.0° |
| C4D | C3D | CAD | H24 | 175.7° | 30.0° |
| CHA | C4D | C3D | CAD | 2.0° | 0.1° |
| C4D | CHA | C1A | H20 | 122.7° | 120.0° |
| C4D | CHA | C1A | H21 | 122.7° | 120.0° |
| C4D | CHA | C1A | C2A | 178.1° | 85.2° |
| C4D | CHA | H20 | H21 | 110.4° | 120.0° |
| CHA | C4D | N_D | H22 | 2.4° | 0.4° |
| C3D | CAD | CBD | H23 | 120.0° | 120.0° |
| C3D | CAD | CBD | H24 | 120.0° | 120.0° |
| C3D | CAD | CBD | CGD | 173.6° | 180.0° |
| C3D | CAD | H23 | H24 | 119.9° | 120.0° |
| C3D | CAD | CBD | H25 | 53.9° | 60.0° |
| C3D | CAD | CBD | H26 | 66.8° | 60.0° |
| CHA | C1A | C2A | C3A | 179.8° | 179.8° |
| CHA | C1A | C2A | CAA | 4.2° | 0.1° |
| CHA | C1A | N_A | H11 | 0.5° | 0.0° |
| C1A | CHA | H20 | H21 | 110.4° | 120.0° |
| C1A | C2A | C3A | CAA | 175.8° | 179.9° |
| C1A | C2A | C3A | CMA | 176.1° | 179.9° |
| C1A | C2A | CAA | CBA | 96.2° | 90.2° |
| C2A | C1A | N_A | H11 | 178.0° | 179.8° |
| C1A | C2A | CAA | H15 | 142.7° | 29.8° |
| C1A | C2A | CAA | H16 | 24.9° | 149.8° |
| C2A | C1A | CHA | H20 | 59.1° | 154.8° |
| C2A | C1A | CHA | H21 | 55.4° | 34.8° |
| C3A | C2A | CAA | CBA | 88.5° | 90.0° |
| C2A | C3A | CMA | H12 | 87.8° | 90.0° |
| C2A | C3A | CMA | H13 | 32.2° | 30.0° |
| C2A | C3A | CMA | H14 | 152.2° | 150.0° |
| C3A | C2A | CAA | H15 | 32.6° | 150.0° |
| C3A | C2A | CAA | H16 | 150.4° | 30.1° |
| CMA | C3A | C2A | CAA | 0.3° | 0.0° |
| C3A | CMA | H12 | H13 | 120.0° | 120.0° |
| C3A | CMA | H12 | H14 | 120.0° | 120.0° |
| C3A | CMA | H13 | H14 | 120.0° | 120.0° |
| CAD | CBD | CGD | H25 | 119.7° | 120.0° |
| CAD | CBD | CGD | H26 | 119.7° | 120.1° |
| CAD | CBD | CGD | O2D | 95.5° | 0.0° |
| CAD | CBD | CGD | O1D | 83.3° | 180.0° |
| CBD | CAD | H23 | H24 | 119.9° | 120.0° |
| CAD | CBD | H25 | H26 | 121.0° | 120.0° |
| C2A | CAA | CBA | H15 | 121.0° | 120.0° |
| C2A | CAA | CBA | H16 | 121.1° | 120.0° |
| C2A | CAA | CBA | CGA | 69.0° | 180.0° |
| C2A | CAA | H15 | H16 | 116.7° | 120.0° |
| C2A | CAA | CBA | H17 | 170.2° | 60.0° |
| C2A | CAA | CBA | H18 | 51.8° | 60.0° |
| CBD | CGD | O2D | O1D | 178.6° | 180.0° |
| CGD | CBD | CAD | H23 | 66.4° | 60.0° |
| CGD | CBD | CAD | H24 | 53.6° | 59.9° |
| CGD | CBD | H25 | H26 | 120.9° | 119.9° |
| CBD | CGD | O1D | H27 | 178.7° | 180.0° |
| CAA | CBA | CGA | H17 | 120.8° | 120.0° |
| CAA | CBA | CGA | H18 | 120.8° | 120.0° |
| CAA | CBA | CGA | O2A | 115.4° | 0.1° |
| CAA | CBA | CGA | O1A | 70.5° | 180.0° |
| CBA | CAA | H15 | H16 | 116.7° | 120.0° |
| CAA | CBA | H17 | H18 | 117.6° | 120.0° |
| O2D | CGD | CBD | H25 | 24.2° | 120.0° |
| O2D | CGD | CBD | H26 | 144.8° | 120.0° |
| O2D | CGD | O1D | H27 | 0.0° | 0.0° |
| O1D | CGD | CBD | H25 | 157.1° | 60.0° |
| O1D | CGD | CBD | H26 | 36.5° | 60.0° |
| CBA | CGA | O2A | O1A | 173.7° | 179.9° |
| CGA | CBA | CAA | H15 | 52.0° | 60.0° |
| CGA | CBA | CAA | H16 | 169.9° | 60.0° |
| CGA | CBA | H17 | H18 | 117.6° | 120.0° |
| CBA | CGA | O1A | H19 | 173.6° | 179.9° |
| O2A | CGA | CBA | H17 | 123.9° | 119.9° |
| O2A | CGA | CBA | H18 | 5.4° | 120.1° |
| O2A | CGA | O1A | H19 | 0.0° | 0.1° |
| O1A | CGA | CBA | H17 | 50.3° | 60.0° |
| O1A | CGA | CBA | H18 | 168.7° | 60.0° |
| H1 | CMB | H2 | H3 | 120.0° | 120.0° |
| H4 | CAB | CBB | H6 | 58.0° | 180.0° |
| H4 | CAB | CBB | H7 | 62.0° | 60.0° |
| H4 | CAB | CBB | H8 | 178.0° | 60.0° |
| H5 | CAB | CBB | H6 | 58.0° | 60.0° |
| H5 | CAB | CBB | H7 | 178.0° | 180.0° |
| H5 | CAB | CBB | H8 | 62.0° | 60.0° |
| H6 | CBB | H7 | H8 | 120.0° | 119.9° |
| H12 | CMA | H13 | H14 | 120.0° | 120.0° |
| H15 | CAA | CBA | H17 | 68.8° | 180.0° |
| H15 | CAA | CBA | H18 | 172.8° | 60.0° |
| H16 | CAA | CBA | H17 | 49.1° | 60.0° |
| H16 | CAA | CBA | H18 | 69.3° | 180.0° |
| H23 | CAD | CBD | H25 | 173.9° | 180.0° |
| H23 | CAD | CBD | H26 | 53.3° | 60.0° |
| H24 | CAD | CBD | H25 | 66.1° | 60.1° |
| H24 | CAD | CBD | H26 | 173.2° | 180.0° |
| H28 | CMD | H29 | H30 | 120.0° | 120.0° |
| H33 | C2C | CMC | H34 | 72.9° | 178.1° |
| H33 | C2C | CMC | H35 | 47.1° | 58.1° |
| H33 | C2C | CMC | H36 | 167.1° | 61.9° |
| H34 | CMC | H35 | H36 | 120.0° | 120.0° |
| H37 | CAC | CBC | H38 | 0.0° | 120.0° |
| H37 | CAC | CBC | H39 | 120.0° | 120.0° |
| H37 | CAC | CBC | H40 | 120.0° | 0.0° |
| H38 | CBC | H39 | H40 | 120.0° | 120.1° |
