3Q9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CMC | C2C | sing | 1.51Å | 1.51Å | |
| CBC | CAC | sing | 1.53Å | 1.48Å | |
| C2C | C1C | sing | 1.50Å | 1.37Å | |
| C2C | C3C | doub | 1.34Å | 1.37Å | |
| O_C | C1C | doub | 1.21Å | 1.25Å | |
| CAC | C3C | sing | 1.51Å | 1.53Å | |
| C1C | N_C | sing | 1.35Å | 1.33Å | |
| C3C | C4C | sing | 1.48Å | 1.38Å | |
| N_C | C4C | doub | 1.30Å | 1.34Å | |
| C4C | CHD | sing | 1.51Å | 1.39Å | |
| CMB | C2B | sing | 1.51Å | 1.54Å | |
| CHD | C1D | sing | 1.51Å | 1.40Å | |
| CAB | CBB | sing | 1.53Å | 1.49Å | |
| CAB | C3B | sing | 1.51Å | 1.37Å | |
| C2B | C3B | doub | 1.34Å | 1.35Å | |
| C2B | C1B | sing | 1.48Å | 1.38Å | |
| C3B | C4B | sing | 1.50Å | 1.35Å | |
| C1D | N_D | sing | 1.36Å | 1.37Å | Aromatic |
| C1D | C2D | doub | 1.35Å | 1.37Å | Aromatic |
| CHB | C1B | sing | 1.51Å | 1.36Å | |
| CHB | C4A | sing | 1.51Å | 1.38Å | |
| C1B | N_B | doub | 1.30Å | 1.34Å | |
| N_D | C4D | sing | 1.36Å | 1.38Å | Aromatic |
| CMD | C2D | sing | 1.51Å | 1.53Å | |
| C2D | C3D | sing | 1.41Å | 1.36Å | Aromatic |
| N_A | C4A | sing | 1.36Å | 1.36Å | Aromatic |
| N_A | C1A | sing | 1.36Å | 1.36Å | Aromatic |
| C4B | N_B | sing | 1.34Å | 1.34Å | |
| C4B | O_B | doub | 1.21Å | 1.24Å | |
| C4A | C3A | doub | 1.35Å | 1.38Å | Aromatic |
| C4D | C3D | doub | 1.35Å | 1.38Å | Aromatic |
| C4D | CHA | sing | 1.51Å | 1.42Å | |
| C3D | CAD | sing | 1.51Å | 1.39Å | |
| 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 | 1.57Å | |
| CAA | CBA | sing | 1.53Å | 1.52Å | |
| CGD | O2D | doub | 1.21Å | 1.25Å | |
| CGD | O1D | sing | 1.34Å | 1.23Å | |
| CBA | CGA | sing | 1.51Å | 1.54Å | |
| O2A | CGA | doub | 1.21Å | 1.24Å | |
| CGA | O1A | sing | 1.34Å | 1.25Å | |
| CBC | H1 | sing | 1.09Å | 1.10Å | |
| CBC | H2 | sing | 1.09Å | 1.10Å | |
| CBC | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.09Å | 1.10Å | |
| CAC | H5 | sing | 1.09Å | 1.10Å | |
| CMC | H6 | sing | 1.09Å | 1.10Å | |
| CMC | H7 | sing | 1.09Å | 1.10Å | |
| CMC | H8 | sing | 1.09Å | 1.10Å | |
| CHD | H9 | sing | 1.09Å | 1.10Å | |
| CHD | H10 | sing | 1.09Å | 1.10Å | |
| N_D | H11 | sing | 0.97Å | 1.00Å | |
| CMD | H12 | sing | 1.09Å | 1.10Å | |
| CMD | H13 | sing | 1.09Å | 1.10Å | |
| CMD | H14 | sing | 1.09Å | 1.10Å | |
| CAD | H15 | sing | 1.09Å | 1.10Å | |
| CAD | H16 | sing | 1.09Å | 1.10Å | |
| CBD | H17 | sing | 1.09Å | 1.10Å | |
| CBD | H18 | sing | 1.09Å | 1.10Å | |
| O1D | H19 | sing | 0.97Å | 0.95Å | |
| CHA | H20 | sing | 1.09Å | 1.10Å | |
| CHA | H21 | sing | 1.09Å | 1.10Å | |
| N_A | H22 | sing | 0.97Å | 1.00Å | |
| CAA | H23 | sing | 1.09Å | 1.10Å | |
| CAA | H24 | sing | 1.09Å | 1.10Å | |
| CBA | H25 | sing | 1.09Å | 1.10Å | |
| CBA | H26 | sing | 1.09Å | 1.10Å | |
| O1A | H27 | sing | 0.97Å | 0.95Å | |
| CMA | H28 | sing | 1.09Å | 1.10Å | |
| CMA | H29 | sing | 1.09Å | 1.10Å | |
| CMA | H30 | sing | 1.09Å | 1.10Å | |
| CHB | H31 | sing | 1.09Å | 1.10Å | |
| CHB | H32 | sing | 1.09Å | 1.10Å | |
| CMB | H33 | sing | 1.09Å | 1.10Å | |
| CMB | H34 | sing | 1.09Å | 1.10Å | |
| CMB | H35 | sing | 1.09Å | 1.10Å | |
| CAB | H36 | sing | 1.09Å | 1.10Å | |
| CAB | H37 | sing | 1.09Å | 1.10Å | |
| CBB | H38 | sing | 1.09Å | 1.10Å | |
| CBB | H39 | sing | 1.09Å | 1.10Å | |
| CBB | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CMC | C2C | C1C | 124.6° | 127.0° |
| CMC | C2C | C3C | 128.6° | 127.1° |
| C2C | CMC | H6 | 109.5° | 109.4° |
| C2C | CMC | H7 | 109.4° | 109.4° |
| C2C | CMC | H8 | 109.5° | 109.4° |
| CBC | CAC | C3C | 116.3° | 109.5° |
| CAC | CBC | H1 | 109.5° | 109.5° |
| CAC | CBC | H2 | 109.5° | 109.5° |
| CAC | CBC | H3 | 109.5° | 109.5° |
| CBC | CAC | H4 | 107.7° | 109.5° |
| CBC | CAC | H5 | 107.7° | 109.5° |
| C1C | C2C | C3C | 106.5° | 105.8° |
| C2C | C1C | O_C | 124.7° | 126.1° |
| C2C | C1C | N_C | 110.7° | 107.8° |
| C2C | C3C | CAC | 130.3° | 126.7° |
| C2C | C3C | C4C | 106.3° | 106.7° |
| O_C | C1C | N_C | 124.5° | 126.1° |
| CAC | C3C | C4C | 123.5° | 126.6° |
| C3C | CAC | H4 | 107.8° | 109.5° |
| C3C | CAC | H5 | 107.7° | 109.5° |
| C1C | N_C | C4C | 106.7° | 110.4° |
| C3C | C4C | N_C | 109.8° | 109.3° |
| C3C | C4C | CHD | 121.9° | 125.3° |
| N_C | C4C | CHD | 128.3° | 125.3° |
| C4C | CHD | C1D | 131.0° | 109.4° |
| C4C | CHD | H9 | 103.9° | 109.5° |
| C4C | CHD | H10 | 103.9° | 109.4° |
| CMB | C2B | C3B | 123.2° | 126.7° |
| CMB | C2B | C1B | 128.3° | 126.6° |
| C2B | CMB | H33 | 109.5° | 109.5° |
| C2B | CMB | H34 | 109.5° | 109.5° |
| C2B | CMB | H35 | 109.5° | 109.4° |
| CHD | C1D | N_D | 132.6° | 125.9° |
| CHD | C1D | C2D | 122.6° | 125.9° |
| C1D | CHD | H9 | 103.9° | 109.5° |
| C1D | CHD | H10 | 103.8° | 109.5° |
| CBB | CAB | C3B | 124.5° | 109.4° |
| CBB | CAB | H36 | 105.6° | 109.5° |
| CBB | CAB | H37 | 105.6° | 109.5° |
| CAB | CBB | H38 | 109.5° | 109.5° |
| CAB | CBB | H39 | 109.4° | 109.5° |
| CAB | CBB | H40 | 109.4° | 109.4° |
| CAB | C3B | C2B | 124.0° | 127.1° |
| CAB | C3B | C4B | 131.5° | 127.1° |
| C3B | CAB | H36 | 105.6° | 109.5° |
| C3B | CAB | H37 | 105.6° | 109.5° |
| C3B | C2B | C1B | 108.4° | 106.6° |
| C2B | C3B | C4B | 104.5° | 105.9° |
| C2B | C1B | CHB | 124.9° | 125.3° |
| C2B | C1B | N_B | 109.3° | 109.4° |
| C3B | C4B | N_B | 113.2° | 107.8° |
| C3B | C4B | O_B | 124.9° | 126.1° |
| N_D | C1D | C2D | 104.8° | 108.2° |
| C1D | N_D | C4D | 111.3° | 108.8° |
| C1D | N_D | H11 | 124.3° | 125.6° |
| C1D | C2D | CMD | 125.5° | 126.3° |
| C1D | C2D | C3D | 110.2° | 107.4° |
| C1B | CHB | C4A | 128.6° | 109.5° |
| CHB | C1B | N_B | 125.7° | 125.3° |
| C1B | CHB | H31 | 104.5° | 109.5° |
| C1B | CHB | H32 | 104.5° | 109.5° |
| CHB | C4A | N_A | 121.3° | 125.9° |
| CHB | C4A | C3A | 130.2° | 125.9° |
| C4A | CHB | H31 | 104.5° | 109.5° |
| C4A | CHB | H32 | 104.5° | 109.5° |
| C1B | N_B | C4B | 104.6° | 110.4° |
| N_D | C4D | C3D | 105.4° | 108.2° |
| N_D | C4D | CHA | 129.8° | 125.9° |
| C4D | N_D | H11 | 124.3° | 125.7° |
| CMD | C2D | C3D | 124.3° | 126.3° |
| C2D | CMD | H12 | 109.5° | 109.5° |
| C2D | CMD | H13 | 109.5° | 109.5° |
| C2D | CMD | H14 | 109.5° | 109.5° |
| C2D | C3D | C4D | 108.3° | 107.4° |
| C2D | C3D | CAD | 124.1° | 126.3° |
| C4A | N_A | C1A | 109.3° | 108.8° |
| N_A | C4A | C3A | 108.5° | 108.2° |
| C4A | N_A | H22 | 125.4° | 125.6° |
| N_A | C1A | CHA | 128.9° | 125.9° |
| N_A | C1A | C2A | 106.8° | 108.2° |
| C1A | N_A | H22 | 125.3° | 125.6° |
| N_B | C4B | O_B | 121.9° | 126.1° |
| C4A | C3A | C2A | 106.9° | 107.4° |
| C4A | C3A | CMA | 127.9° | 126.3° |
| C3D | C4D | CHA | 124.9° | 125.9° |
| C4D | C3D | CAD | 127.5° | 126.3° |
| C4D | CHA | C1A | 130.6° | 109.5° |
| C4D | CHA | H20 | 104.0° | 109.5° |
| C4D | CHA | H21 | 103.9° | 109.5° |
| C3D | CAD | CBD | 118.8° | 109.5° |
| C3D | CAD | H15 | 107.1° | 109.5° |
| C3D | CAD | H16 | 107.1° | 109.4° |
| CHA | C1A | C2A | 124.3° | 125.9° |
| C1A | CHA | H20 | 104.0° | 109.5° |
| C1A | CHA | H21 | 104.0° | 109.5° |
| C1A | C2A | C3A | 108.6° | 107.4° |
| C1A | C2A | CAA | 124.2° | 126.3° |
| C2A | C3A | CMA | 125.1° | 126.3° |
| C3A | C2A | CAA | 127.0° | 126.3° |
| C3A | CMA | H28 | 109.5° | 109.5° |
| C3A | CMA | H29 | 109.5° | 109.5° |
| C3A | CMA | H30 | 109.4° | 109.5° |
| CAD | CBD | CGD | 113.2° | 109.4° |
| CBD | CAD | H15 | 107.1° | 109.5° |
| CBD | CAD | H16 | 107.1° | 109.5° |
| CAD | CBD | H17 | 108.5° | 109.5° |
| CAD | CBD | H18 | 108.5° | 109.5° |
| C2A | CAA | CBA | 117.0° | 109.5° |
| C2A | CAA | H23 | 107.6° | 109.5° |
| C2A | CAA | H24 | 107.6° | 109.5° |
| CBD | CGD | O2D | 120.2° | 120.0° |
| CBD | CGD | O1D | 117.3° | 120.0° |
| CGD | CBD | H17 | 108.5° | 109.5° |
| CGD | CBD | H18 | 108.5° | 109.5° |
| CAA | CBA | CGA | 114.9° | 109.5° |
| CBA | CAA | H23 | 107.6° | 109.4° |
| CBA | CAA | H24 | 107.5° | 109.5° |
| CAA | CBA | H25 | 108.1° | 109.4° |
| CAA | CBA | H26 | 108.1° | 109.5° |
| O2D | CGD | O1D | 122.5° | 120.0° |
| CGD | O1D | H19 | 109.5° | 117.0° |
| CBA | CGA | O2A | 116.1° | 120.0° |
| CBA | CGA | O1A | 118.5° | 120.0° |
| CGA | CBA | H25 | 108.1° | 109.5° |
| CGA | CBA | H26 | 108.1° | 109.5° |
| O2A | CGA | O1A | 125.1° | 120.0° |
| CGA | O1A | H27 | 109.5° | 117.0° |
| H1 | CBC | H2 | 109.5° | 109.5° |
| H1 | CBC | H3 | 109.5° | 109.5° |
| H2 | CBC | H3 | 109.5° | 109.4° |
| H4 | CAC | H5 | 109.5° | 109.5° |
| H6 | CMC | H7 | 109.5° | 109.5° |
| H6 | CMC | H8 | 109.4° | 109.5° |
| H7 | CMC | H8 | 109.5° | 109.5° |
| H9 | CHD | H10 | 109.5° | 109.5° |
| H12 | CMD | H13 | 109.5° | 109.5° |
| H12 | CMD | H14 | 109.5° | 109.5° |
| H13 | CMD | H14 | 109.4° | 109.5° |
| H15 | CAD | H16 | 109.4° | 109.4° |
| H17 | CBD | H18 | 109.5° | 109.5° |
| H20 | CHA | H21 | 109.5° | 109.4° |
| H23 | CAA | H24 | 109.5° | 109.5° |
| H25 | CBA | H26 | 109.5° | 109.5° |
| H28 | CMA | H29 | 109.4° | 109.5° |
| H28 | CMA | H30 | 109.5° | 109.4° |
| H29 | CMA | H30 | 109.5° | 109.5° |
| H31 | CHB | H32 | 109.5° | 109.4° |
| H33 | CMB | H34 | 109.5° | 109.5° |
| H33 | CMB | H35 | 109.5° | 109.5° |
| H34 | CMB | H35 | 109.4° | 109.5° |
| H36 | CAB | H37 | 109.5° | 109.5° |
| H38 | CBB | H39 | 109.4° | 109.5° |
| H38 | CBB | H40 | 109.5° | 109.5° |
| H39 | CBB | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CMC | C2C | C1C | C3C | 174.2° | 180.0° |
| CMC | C2C | C1C | O_C | 6.0° | 0.0° |
| CMC | C2C | C3C | CAC | 4.6° | 0.0° |
| CMC | C2C | C1C | N_C | 176.7° | 180.0° |
| CMC | C2C | C3C | C4C | 176.1° | 179.7° |
| C2C | CMC | H6 | H7 | 120.0° | 120.0° |
| C2C | CMC | H6 | H8 | 120.0° | 120.0° |
| C2C | CMC | H7 | H8 | 120.0° | 119.9° |
| CBC | CAC | C3C | C2C | 8.7° | 95.3° |
| CBC | CAC | C3C | H4 | 121.0° | 120.0° |
| CBC | CAC | C3C | H5 | 121.0° | 120.0° |
| CBC | CAC | C3C | C4C | 170.5° | 85.1° |
| CAC | CBC | H1 | H2 | 120.0° | 120.0° |
| CAC | CBC | H1 | H3 | 120.0° | 120.0° |
| CAC | CBC | H2 | H3 | 120.0° | 120.0° |
| CBC | CAC | H4 | H5 | 116.9° | 120.0° |
| C2C | C1C | O_C | N_C | 176.9° | 180.0° |
| C1C | C2C | C3C | CAC | 178.5° | 179.9° |
| C1C | C2C | C3C | C4C | 2.2° | 0.3° |
| C2C | C1C | N_C | C4C | 1.7° | 0.3° |
| C1C | C2C | CMC | H6 | 180.0° | 0.0° |
| C1C | C2C | CMC | H7 | 60.0° | 120.1° |
| C1C | C2C | CMC | H8 | 60.0° | 120.0° |
| C3C | C2C | C1C | O_C | 179.8° | 180.0° |
| C2C | C3C | CAC | C4C | 179.2° | 179.6° |
| C3C | C2C | C1C | N_C | 2.5° | 0.0° |
| C2C | C3C | C4C | N_C | 1.2° | 0.5° |
| C2C | C3C | C4C | CHD | 177.7° | 179.8° |
| C2C | C3C | CAC | H4 | 129.7° | 24.6° |
| C2C | C3C | CAC | H5 | 112.3° | 144.7° |
| C3C | C2C | CMC | H6 | 7.1° | 180.0° |
| C3C | C2C | CMC | H7 | 127.1° | 60.0° |
| C3C | C2C | CMC | H8 | 112.9° | 60.0° |
| O_C | C1C | N_C | C4C | 179.0° | 179.7° |
| CAC | C3C | C4C | N_C | 179.4° | 179.8° |
| CAC | C3C | C4C | CHD | 1.7° | 0.1° |
| C3C | CAC | CBC | H1 | 180.0° | 60.0° |
| C3C | CAC | CBC | H2 | 60.0° | 180.0° |
| C3C | CAC | CBC | H3 | 60.0° | 60.0° |
| C3C | CAC | H4 | H5 | 116.9° | 120.0° |
| C1C | N_C | C4C | C3C | 0.2° | 0.5° |
| C1C | N_C | C4C | CHD | 179.1° | 179.7° |
| C3C | C4C | N_C | CHD | 178.8° | 179.7° |
| C3C | C4C | CHD | C1D | 177.8° | 180.0° |
| C4C | C3C | CAC | H4 | 49.6° | 155.0° |
| C4C | C3C | CAC | H5 | 68.5° | 34.9° |
| C3C | C4C | CHD | H9 | 59.5° | 60.0° |
| C3C | C4C | CHD | H10 | 55.0° | 60.0° |
| N_C | C4C | CHD | C1D | 3.5° | 0.3° |
| N_C | C4C | CHD | H9 | 119.2° | 120.3° |
| N_C | C4C | CHD | H10 | 126.3° | 119.7° |
| C4C | CHD | C1D | H9 | 122.7° | 120.0° |
| C4C | CHD | C1D | H10 | 122.7° | 120.0° |
| C4C | CHD | C1D | N_D | 10.6° | 95.0° |
| C4C | CHD | C1D | C2D | 171.0° | 84.7° |
| C4C | CHD | H9 | H10 | 110.4° | 120.0° |
| CMB | C2B | C3B | CAB | 0.4° | 0.0° |
| CMB | C2B | C3B | C1B | 177.8° | 180.0° |
| CMB | C2B | C3B | C4B | 179.9° | 179.8° |
| CMB | C2B | C1B | CHB | 4.0° | 0.0° |
| CMB | C2B | C1B | N_B | 180.0° | 179.8° |
| C2B | CMB | H33 | H34 | 120.0° | 120.0° |
| C2B | CMB | H33 | H35 | 120.0° | 119.9° |
| C2B | CMB | H34 | H35 | 120.0° | 119.9° |
| CHD | C1D | N_D | C2D | 178.6° | 179.8° |
| CHD | C1D | N_D | C4D | 178.7° | 180.0° |
| CHD | C1D | C2D | CMD | 0.8° | 0.0° |
| CHD | C1D | C2D | C3D | 178.7° | 180.0° |
| C1D | CHD | H9 | H10 | 110.4° | 120.0° |
| CHD | C1D | N_D | H11 | 1.4° | 0.0° |
| CBB | CAB | C3B | H36 | 122.0° | 120.0° |
| CBB | CAB | C3B | H37 | 122.0° | 120.0° |
| CBB | CAB | C3B | C2B | 174.3° | 95.1° |
| CBB | CAB | C3B | C4B | 5.3° | 84.8° |
| CBB | CAB | H36 | H37 | 113.2° | 120.0° |
| CAB | CBB | H38 | H39 | 120.0° | 120.0° |
| CAB | CBB | H38 | H40 | 120.0° | 119.9° |
| CAB | CBB | H39 | H40 | 120.0° | 120.0° |
| CAB | C3B | C2B | C4B | 179.7° | 179.9° |
| CAB | C3B | C2B | C1B | 178.3° | 180.0° |
| CAB | C3B | C4B | N_B | 179.2° | 179.9° |
| CAB | C3B | C4B | O_B | 0.1° | 0.0° |
| C3B | CAB | H36 | H37 | 113.3° | 120.0° |
| C3B | CAB | CBB | H38 | 180.0° | 60.0° |
| C3B | CAB | CBB | H39 | 60.0° | 60.0° |
| C3B | CAB | CBB | H40 | 60.0° | 180.0° |
| C3B | C2B | C1B | CHB | 178.3° | 180.0° |
| C3B | C2B | C1B | N_B | 2.3° | 0.2° |
| C2B | C3B | C4B | N_B | 1.2° | 0.0° |
| C2B | C3B | C4B | O_B | 179.6° | 179.8° |
| C3B | C2B | CMB | H33 | 180.0° | 90.0° |
| C3B | C2B | CMB | H34 | 60.0° | 150.0° |
| C3B | C2B | CMB | H35 | 60.0° | 30.0° |
| C2B | C3B | CAB | H36 | 63.7° | 145.0° |
| C2B | C3B | CAB | H37 | 52.3° | 25.0° |
| C1B | C2B | C3B | C4B | 2.1° | 0.1° |
| C2B | C1B | CHB | N_B | 175.3° | 179.7° |
| C2B | C1B | CHB | C4A | 151.5° | 179.7° |
| C2B | C1B | N_B | C4B | 1.5° | 0.2° |
| C2B | C1B | CHB | H31 | 29.0° | 60.3° |
| C2B | C1B | CHB | H32 | 85.9° | 59.7° |
| C1B | C2B | CMB | H33 | 2.6° | 90.0° |
| C1B | C2B | CMB | H34 | 117.4° | 30.0° |
| C1B | C2B | CMB | H35 | 122.6° | 150.0° |
| C3B | C4B | N_B | C1B | 0.2° | 0.1° |
| C3B | C4B | N_B | O_B | 179.3° | 179.9° |
| C4B | C3B | CAB | H36 | 116.7° | 35.2° |
| C4B | C3B | CAB | H37 | 127.3° | 155.2° |
| C1D | N_D | C4D | H11 | 180.0° | 180.0° |
| N_D | C1D | C2D | CMD | 179.5° | 179.8° |
| N_D | C1D | C2D | C3D | 0.1° | 0.3° |
| C1D | N_D | C4D | C3D | 0.2° | 0.1° |
| C1D | N_D | C4D | CHA | 177.8° | 179.9° |
| N_D | C1D | CHD | H9 | 112.1° | 145.0° |
| N_D | C1D | CHD | H10 | 133.4° | 25.0° |
| C2D | C1D | N_D | C4D | 0.1° | 0.2° |
| C1D | C2D | CMD | C3D | 179.4° | 179.9° |
| C1D | C2D | C3D | C4D | 0.2° | 0.2° |
| C1D | C2D | C3D | CAD | 178.0° | 179.9° |
| C2D | C1D | CHD | H9 | 66.3° | 35.3° |
| C2D | C1D | CHD | H10 | 48.3° | 155.3° |
| C2D | C1D | N_D | H11 | 179.9° | 179.7° |
| C1D | C2D | CMD | H12 | 90.3° | 89.9° |
| C1D | C2D | CMD | H13 | 149.7° | 150.0° |
| C1D | C2D | CMD | H14 | 29.7° | 30.1° |
| C1B | CHB | C4A | H31 | 122.5° | 120.0° |
| C1B | CHB | C4A | H32 | 122.5° | 120.1° |
| C1B | CHB | C4A | N_A | 156.5° | 95.0° |
| CHB | C1B | N_B | C4B | 177.5° | 180.0° |
| C1B | CHB | C4A | C3A | 24.5° | 85.2° |
| C1B | CHB | H31 | H32 | 111.4° | 120.0° |
| C4A | CHB | C1B | N_B | 33.2° | 0.0° |
| CHB | C4A | N_A | C3A | 179.2° | 179.8° |
| CHB | C4A | N_A | C1A | 178.2° | 180.0° |
| CHB | C4A | C3A | C2A | 178.6° | 179.8° |
| CHB | C4A | C3A | CMA | 2.5° | 0.0° |
| CHB | C4A | N_A | H22 | 1.8° | 0.0° |
| C4A | CHB | H31 | H32 | 111.5° | 120.0° |
| C1B | N_B | C4B | O_B | 179.0° | 180.0° |
| N_B | C1B | CHB | H31 | 155.7° | 120.0° |
| N_B | C1B | CHB | H32 | 89.4° | 120.0° |
| N_D | C4D | C3D | C2D | 0.3° | 0.0° |
| N_D | C4D | C3D | CHA | 178.1° | 179.9° |
| N_D | C4D | C3D | CAD | 177.9° | 179.9° |
| N_D | C4D | CHA | C1A | 9.1° | 94.9° |
| N_D | C4D | CHA | H20 | 131.8° | 25.1° |
| N_D | C4D | CHA | H21 | 113.6° | 145.1° |
| CMD | C2D | C3D | C4D | 179.7° | 179.9° |
| CMD | C2D | C3D | CAD | 2.6° | 0.0° |
| C2D | CMD | H12 | H13 | 120.0° | 120.0° |
| C2D | CMD | H12 | H14 | 120.0° | 120.0° |
| C2D | CMD | H13 | H14 | 120.0° | 120.0° |
| C2D | C3D | C4D | CAD | 177.7° | 179.9° |
| C2D | C3D | C4D | CHA | 177.9° | 179.9° |
| C2D | C3D | CAD | CBD | 112.2° | 89.9° |
| C3D | C2D | CMD | H12 | 90.3° | 90.0° |
| C3D | C2D | CMD | H13 | 29.7° | 30.0° |
| C3D | C2D | CMD | H14 | 149.7° | 150.0° |
| C2D | C3D | CAD | H15 | 126.4° | 150.0° |
| C2D | C3D | CAD | H16 | 9.1° | 30.1° |
| C4A | N_A | C1A | H22 | 180.0° | 180.0° |
| C4A | N_A | C1A | CHA | 179.6° | 180.0° |
| C4A | N_A | C1A | C2A | 1.0° | 0.3° |
| N_A | C4A | C3A | C2A | 0.5° | 0.0° |
| N_A | C4A | C3A | CMA | 176.6° | 179.8° |
| N_A | C4A | CHB | H31 | 81.0° | 25.0° |
| N_A | C4A | CHB | H32 | 34.0° | 145.0° |
| C1A | N_A | C4A | C3A | 1.0° | 0.2° |
| N_A | C1A | CHA | C4D | 1.4° | 94.7° |
| N_A | C1A | CHA | C2A | 179.2° | 179.7° |
| N_A | C1A | C2A | C3A | 0.7° | 0.3° |
| N_A | C1A | C2A | CAA | 176.9° | 179.8° |
| N_A | C1A | CHA | H20 | 121.4° | 145.3° |
| N_A | C1A | CHA | H21 | 124.1° | 25.3° |
| C4A | C3A | C2A | C1A | 0.1° | 0.2° |
| C4A | C3A | C2A | CMA | 176.2° | 179.8° |
| C4A | C3A | C2A | CAA | 176.2° | 179.9° |
| C3A | C4A | N_A | H22 | 179.0° | 179.8° |
| C4A | C3A | CMA | H28 | 87.6° | 90.2° |
| C4A | C3A | CMA | H29 | 152.4° | 29.8° |
| C4A | C3A | CMA | H30 | 32.4° | 149.8° |
| C3A | C4A | CHB | H31 | 98.0° | 154.8° |
| C3A | C4A | CHB | H32 | 147.0° | 34.8° |
| C3D | C4D | CHA | C1A | 173.2° | 85.2° |
| C4D | C3D | CAD | CBD | 65.1° | 90.2° |
| C3D | C4D | N_D | H11 | 179.8° | 179.9° |
| C4D | C3D | CAD | H15 | 56.3° | 29.8° |
| C4D | C3D | CAD | H16 | 173.6° | 149.8° |
| C3D | C4D | CHA | H20 | 50.5° | 154.8° |
| C3D | C4D | CHA | H21 | 64.0° | 34.9° |
| CHA | C4D | C3D | CAD | 0.2° | 0.0° |
| C4D | CHA | C1A | H20 | 122.7° | 120.0° |
| C4D | CHA | C1A | H21 | 122.7° | 120.0° |
| C4D | CHA | C1A | C2A | 177.9° | 85.0° |
| CHA | C4D | N_D | H11 | 2.2° | 0.1° |
| C4D | CHA | H20 | H21 | 110.6° | 120.0° |
| C3D | CAD | CBD | H15 | 121.4° | 120.1° |
| C3D | CAD | CBD | H16 | 121.3° | 120.0° |
| C3D | CAD | CBD | CGD | 172.0° | 180.0° |
| C3D | CAD | H15 | H16 | 115.7° | 119.9° |
| C3D | CAD | CBD | H17 | 51.4° | 60.0° |
| C3D | CAD | CBD | H18 | 67.5° | 60.1° |
| CHA | C1A | C2A | C3A | 179.9° | 180.0° |
| CHA | C1A | C2A | CAA | 3.7° | 0.0° |
| C1A | CHA | H20 | H21 | 110.6° | 120.0° |
| CHA | C1A | N_A | H22 | 0.4° | 0.0° |
| C1A | C2A | C3A | CAA | 176.0° | 180.0° |
| C1A | C2A | C3A | CMA | 176.1° | 180.0° |
| C1A | C2A | CAA | CBA | 96.4° | 90.0° |
| C2A | C1A | CHA | H20 | 59.4° | 35.0° |
| C2A | C1A | CHA | H21 | 55.2° | 155.0° |
| C2A | C1A | N_A | H22 | 179.0° | 179.7° |
| C1A | C2A | CAA | H23 | 142.5° | 150.0° |
| C1A | C2A | CAA | H24 | 24.7° | 30.0° |
| C3A | C2A | CAA | CBA | 88.1° | 89.9° |
| C3A | C2A | CAA | H23 | 33.0° | 30.0° |
| C3A | C2A | CAA | H24 | 150.8° | 150.1° |
| C2A | C3A | CMA | H28 | 87.8° | 90.0° |
| C2A | C3A | CMA | H29 | 32.2° | 150.0° |
| C2A | C3A | CMA | H30 | 152.2° | 30.0° |
| CMA | C3A | C2A | CAA | 0.1° | 0.0° |
| C3A | CMA | H28 | H29 | 120.0° | 120.1° |
| C3A | CMA | H28 | H30 | 120.0° | 120.0° |
| C3A | CMA | H29 | H30 | 120.0° | 120.0° |
| CAD | CBD | CGD | H17 | 120.5° | 120.0° |
| CAD | CBD | CGD | H18 | 120.5° | 119.9° |
| CAD | CBD | CGD | O2D | 97.3° | 0.0° |
| CAD | CBD | CGD | O1D | 84.1° | 180.0° |
| CBD | CAD | H15 | H16 | 115.8° | 120.0° |
| CAD | CBD | H17 | H18 | 118.3° | 120.0° |
| C2A | CAA | CBA | H23 | 121.1° | 120.0° |
| C2A | CAA | CBA | H24 | 121.1° | 120.0° |
| C2A | CAA | CBA | CGA | 68.8° | 180.0° |
| C2A | CAA | H23 | H24 | 116.6° | 120.0° |
| C2A | CAA | CBA | H25 | 170.4° | 60.0° |
| C2A | CAA | CBA | H26 | 52.0° | 59.9° |
| CBD | CGD | O2D | O1D | 178.5° | 179.9° |
| CGD | CBD | CAD | H15 | 66.7° | 60.0° |
| CGD | CBD | CAD | H16 | 50.6° | 60.0° |
| CGD | CBD | H17 | H18 | 118.3° | 120.0° |
| CBD | CGD | O1D | H19 | 178.5° | 180.0° |
| CAA | CBA | CGA | H25 | 120.8° | 120.0° |
| CAA | CBA | CGA | H26 | 120.8° | 120.1° |
| CAA | CBA | CGA | O2A | 115.3° | 0.0° |
| CAA | CBA | CGA | O1A | 70.5° | 180.0° |
| CBA | CAA | H23 | H24 | 116.6° | 120.0° |
| CAA | CBA | H25 | H26 | 117.6° | 120.0° |
| O2D | CGD | CBD | H17 | 23.3° | 119.9° |
| O2D | CGD | CBD | H18 | 142.2° | 120.0° |
| O2D | CGD | O1D | H19 | 0.0° | 0.0° |
| O1D | CGD | CBD | H17 | 155.3° | 60.0° |
| O1D | CGD | CBD | H18 | 36.4° | 60.1° |
| CBA | CGA | O2A | O1A | 173.7° | 180.0° |
| CGA | CBA | CAA | H23 | 52.3° | 60.0° |
| CGA | CBA | CAA | H24 | 170.1° | 60.0° |
| CGA | CBA | H25 | H26 | 117.5° | 120.0° |
| CBA | CGA | O1A | H27 | 173.6° | 180.0° |
| O2A | CGA | CBA | H25 | 123.8° | 120.0° |
| O2A | CGA | CBA | H26 | 5.4° | 120.0° |
| O2A | CGA | O1A | H27 | 0.0° | 0.1° |
| O1A | CGA | CBA | H25 | 50.3° | 60.0° |
| O1A | CGA | CBA | H26 | 168.7° | 60.0° |
| H1 | CBC | H2 | H3 | 120.0° | 120.0° |
| H1 | CBC | CAC | H4 | 59.0° | 180.0° |
| H1 | CBC | CAC | H5 | 59.0° | 60.0° |
| H2 | CBC | CAC | H4 | 61.0° | 60.0° |
| H2 | CBC | CAC | H5 | 179.0° | 60.0° |
| H3 | CBC | CAC | H4 | 179.0° | 60.0° |
| H3 | CBC | CAC | H5 | 61.0° | 180.0° |
| H6 | CMC | H7 | H8 | 120.0° | 120.1° |
| H12 | CMD | H13 | H14 | 120.0° | 120.0° |
| H15 | CAD | CBD | H17 | 172.7° | 179.9° |
| H15 | CAD | CBD | H18 | 53.9° | 60.0° |
| H16 | CAD | CBD | H17 | 69.9° | 59.9° |
| H16 | CAD | CBD | H18 | 171.2° | 180.0° |
| H23 | CAA | CBA | H25 | 68.5° | 180.0° |
| H23 | CAA | CBA | H26 | 173.0° | 60.0° |
| H24 | CAA | CBA | H25 | 49.3° | 60.0° |
| H24 | CAA | CBA | H26 | 69.1° | 180.0° |
| H28 | CMA | H29 | H30 | 120.0° | 119.9° |
| H33 | CMB | H34 | H35 | 120.0° | 120.1° |
| H36 | CAB | CBB | H38 | 57.9° | NaN° |
| H36 | CAB | CBB | H39 | 62.0° | 60.0° |
| H36 | CAB | CBB | H40 | 178.0° | 60.0° |
| H37 | CAB | CBB | H38 | 58.0° | 60.0° |
| H37 | CAB | CBB | H39 | 178.0° | 180.0° |
| H37 | CAB | CBB | H40 | 62.0° | 60.0° |
| H38 | CBB | H39 | H40 | 120.0° | 120.0° |
