JQ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBB | CAB | sing | 1.53Å | 1.52Å | |
| CAB | C3B | sing | 1.51Å | 1.33Å | |
| O_B | C4B | doub | 1.22Å | 1.23Å | |
| C3B | C4B | sing | 1.41Å | 1.33Å | |
| C3B | C2B | doub | 1.36Å | 1.33Å | |
| C4B | N_B | sing | 1.37Å | 1.34Å | |
| CMB | C2B | sing | 1.51Å | 1.54Å | |
| C2B | C1B | sing | 1.42Å | 1.34Å | |
| N_B | C1B | sing | 1.37Å | 1.34Å | |
| N_B | CEB | sing | 1.47Å | 1.47Å | |
| C1B | CHB | doub | 1.37Å | 1.34Å | |
| CEB | CEA | sing | 1.52Å | 1.53Å | |
| CHB | C4A | sing | 1.41Å | 1.39Å | |
| CEA | C3A | sing | 1.50Å | 1.40Å | |
| C4A | C3A | sing | 1.39Å | 1.33Å | |
| C4A | N_A | doub | 1.34Å | 1.34Å | |
| O_C | C1C | doub | 1.22Å | 1.23Å | |
| C3A | C2A | doub | 1.37Å | 1.33Å | |
| O1A | CGA | doub | 1.21Å | 1.26Å | |
| N_A | C1A | sing | 1.34Å | 1.34Å | |
| O2A | CGA | sing | 1.34Å | 1.26Å | |
| C1C | C2C | sing | 1.42Å | 1.38Å | |
| C1C | N_C | sing | 1.35Å | 1.33Å | |
| CGA | CBA | sing | 1.51Å | 1.54Å | |
| C2A | C1A | sing | 1.42Å | 1.35Å | |
| C2A | CAA | sing | 1.51Å | 1.54Å | |
| CMC | C2C | sing | 1.51Å | 1.53Å | |
| C2C | C3C | doub | 1.36Å | 1.34Å | |
| C1A | CHA | doub | 1.40Å | 1.35Å | |
| N_C | C4C | sing | 1.39Å | 1.34Å | |
| CAA | CBA | sing | 1.53Å | 1.53Å | |
| C3C | C4C | sing | 1.42Å | 1.35Å | |
| C3C | CAC | sing | 1.51Å | 1.54Å | |
| C4C | CHD | doub | 1.38Å | 1.34Å | |
| CHA | C4D | sing | 1.40Å | 1.36Å | |
| N_D | C4D | sing | 1.38Å | 1.35Å | Aromatic |
| N_D | C1D | sing | 1.37Å | 1.35Å | Aromatic |
| C4D | C3D | doub | 1.40Å | 1.34Å | Aromatic |
| CHD | C1D | sing | 1.41Å | 1.40Å | |
| C1D | C2D | doub | 1.39Å | 1.32Å | Aromatic |
| CAC | CBC | sing | 1.53Å | 1.53Å | |
| C3D | C2D | sing | 1.38Å | 1.32Å | Aromatic |
| C3D | CAD | sing | 1.51Å | 1.54Å | |
| C2D | CMD | sing | 1.51Å | 1.54Å | |
| CBD | CAD | sing | 1.53Å | 1.53Å | |
| CBD | CGD | sing | 1.51Å | 1.53Å | |
| O1D | CGD | doub | 1.21Å | 1.25Å | |
| CGD | O2D | sing | 1.34Å | 1.24Å | |
| O2A | H1 | sing | 0.97Å | 0.95Å | |
| CBA | H2 | sing | 1.09Å | 1.10Å | |
| CBA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CEA | H6 | sing | 1.09Å | 1.10Å | |
| CEA | H7 | sing | 1.09Å | 1.10Å | |
| CEB | H8 | sing | 1.09Å | 1.10Å | |
| CEB | H9 | sing | 1.09Å | 1.10Å | |
| CAB | H10 | sing | 1.09Å | 1.10Å | |
| CAB | H11 | sing | 1.09Å | 1.10Å | |
| CBB | H12 | sing | 1.09Å | 1.10Å | |
| CBB | H13 | sing | 1.09Å | 1.10Å | |
| CBB | H14 | sing | 1.09Å | 1.10Å | |
| CMB | H15 | sing | 1.09Å | 1.10Å | |
| CMB | H16 | sing | 1.09Å | 1.10Å | |
| CMB | H17 | sing | 1.09Å | 1.10Å | |
| CHB | H19 | sing | 1.08Å | 1.08Å | |
| CHA | H22 | sing | 1.08Å | 1.08Å | |
| N_D | H24 | sing | 0.97Å | 1.00Å | |
| CAD | H25 | sing | 1.09Å | 1.10Å | |
| CAD | H26 | sing | 1.09Å | 1.10Å | |
| CBD | H27 | sing | 1.09Å | 1.10Å | |
| CBD | H28 | sing | 1.09Å | 1.10Å | |
| O2D | H29 | sing | 0.97Å | 0.95Å | |
| CMD | H30 | sing | 1.09Å | 1.10Å | |
| CMD | H31 | sing | 1.09Å | 1.10Å | |
| CMD | H32 | sing | 1.09Å | 1.10Å | |
| CHD | H33 | sing | 1.08Å | 1.08Å | |
| CMC | H35 | sing | 1.09Å | 1.10Å | |
| CMC | H36 | sing | 1.09Å | 1.10Å | |
| CMC | H37 | sing | 1.09Å | 1.10Å | |
| CAC | H38 | sing | 1.09Å | 1.10Å | |
| CAC | H39 | sing | 1.09Å | 1.10Å | |
| CBC | H40 | sing | 1.09Å | 1.10Å | |
| CBC | H41 | sing | 1.09Å | 1.10Å | |
| CBC | H42 | sing | 1.09Å | 1.10Å | |
| N_C | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBB | CAB | C3B | 120.1° | 109.5° |
| CBB | CAB | H10 | 106.8° | 109.5° |
| CBB | CAB | H11 | 106.8° | 109.5° |
| CAB | CBB | H12 | 109.5° | 109.4° |
| CAB | CBB | H13 | 109.5° | 109.5° |
| CAB | CBB | H14 | 109.5° | 109.5° |
| CAB | C3B | C4B | 126.6° | 126.1° |
| CAB | C3B | C2B | 125.5° | 126.1° |
| C3B | CAB | H10 | 106.8° | 109.5° |
| C3B | CAB | H11 | 106.8° | 109.5° |
| O_B | C4B | C3B | 125.4° | 125.6° |
| O_B | C4B | N_B | 126.1° | 125.5° |
| C4B | C3B | C2B | 107.9° | 107.8° |
| C3B | C4B | N_B | 108.5° | 108.9° |
| C3B | C2B | CMB | 124.0° | 126.5° |
| C3B | C2B | C1B | 108.4° | 107.0° |
| C4B | N_B | C1B | 107.9° | 107.3° |
| C4B | N_B | CEB | 128.4° | 119.6° |
| CMB | C2B | C1B | 127.6° | 126.5° |
| C2B | CMB | H15 | 109.5° | 109.5° |
| C2B | CMB | H16 | 109.5° | 109.4° |
| C2B | CMB | H17 | 109.5° | 109.5° |
| C2B | C1B | N_B | 107.3° | 108.6° |
| C2B | C1B | CHB | 124.2° | 122.6° |
| C1B | N_B | CEB | 123.7° | 133.0° |
| N_B | C1B | CHB | 128.5° | 128.8° |
| N_B | CEB | CEA | 110.7° | 113.3° |
| N_B | CEB | H8 | 109.1° | 108.7° |
| N_B | CEB | H9 | 109.1° | 108.7° |
| C1B | CHB | C4A | 126.2° | 124.0° |
| C1B | CHB | H19 | 116.9° | 118.0° |
| CEB | CEA | C3A | 111.1° | 112.0° |
| CEB | CEA | H6 | 109.1° | 109.0° |
| CEB | CEA | H7 | 109.1° | 108.9° |
| CEA | CEB | H8 | 109.2° | 108.7° |
| CEA | CEB | H9 | 109.2° | 108.7° |
| CHB | C4A | C3A | 128.8° | 126.2° |
| CHB | C4A | N_A | 121.6° | 124.2° |
| C4A | CHB | H19 | 116.9° | 118.0° |
| CEA | C3A | C4A | 128.6° | 132.6° |
| CEA | C3A | C2A | 124.7° | 121.1° |
| C3A | CEA | H6 | 109.1° | 109.0° |
| C3A | CEA | H7 | 109.1° | 109.0° |
| C3A | C4A | N_A | 109.6° | 109.6° |
| C4A | C3A | C2A | 106.7° | 106.2° |
| C4A | N_A | C1A | 107.4° | 109.0° |
| O_C | C1C | C2C | 125.2° | 125.7° |
| O_C | C1C | N_C | 126.2° | 125.7° |
| C3A | C2A | C1A | 109.2° | 106.9° |
| C3A | C2A | CAA | 124.3° | 126.6° |
| O1A | CGA | O2A | 125.9° | 120.0° |
| O1A | CGA | CBA | 116.5° | 120.0° |
| N_A | C1A | C2A | 107.1° | 108.0° |
| N_A | C1A | CHA | 129.0° | 126.0° |
| O2A | CGA | CBA | 117.6° | 120.0° |
| CGA | O2A | H1 | 109.5° | 117.0° |
| C2C | C1C | N_C | 108.5° | 108.6° |
| C1C | C2C | CMC | 130.2° | 126.0° |
| C1C | C2C | C3C | 107.7° | 108.0° |
| C1C | N_C | C4C | 106.5° | 108.3° |
| C1C | N_C | H18 | 126.8° | 125.8° |
| CGA | CBA | CAA | 111.6° | 109.4° |
| CGA | CBA | H2 | 108.9° | 109.5° |
| CGA | CBA | H3 | 108.9° | 109.5° |
| C1A | C2A | CAA | 126.6° | 126.5° |
| C2A | C1A | CHA | 123.7° | 126.0° |
| C2A | CAA | CBA | 112.3° | 109.5° |
| C2A | CAA | H4 | 108.8° | 109.4° |
| C2A | CAA | H5 | 108.8° | 109.5° |
| CMC | C2C | C3C | 122.0° | 126.0° |
| C2C | CMC | H35 | 109.5° | 109.5° |
| C2C | CMC | H36 | 109.5° | 109.5° |
| C2C | CMC | H37 | 109.4° | 109.6° |
| C2C | C3C | C4C | 106.6° | 107.4° |
| C2C | C3C | CAC | 127.7° | 126.3° |
| C1A | CHA | C4D | 127.6° | 120.0° |
| C1A | CHA | H22 | 116.2° | 120.0° |
| N_C | C4C | C3C | 110.7° | 107.6° |
| N_C | C4C | CHD | 125.1° | 126.2° |
| C4C | N_C | H18 | 126.8° | 125.8° |
| CAA | CBA | H2 | 108.9° | 109.5° |
| CAA | CBA | H3 | 109.0° | 109.5° |
| CBA | CAA | H4 | 108.8° | 109.5° |
| CBA | CAA | H5 | 108.8° | 109.5° |
| C4C | C3C | CAC | 125.7° | 126.3° |
| C3C | C4C | CHD | 124.2° | 126.2° |
| C3C | CAC | CBC | 117.0° | 109.5° |
| C3C | CAC | H38 | 107.6° | 109.4° |
| C3C | CAC | H39 | 107.6° | 109.5° |
| C4C | CHD | C1D | 124.0° | 120.0° |
| C4C | CHD | H33 | 118.0° | 120.0° |
| CHA | C4D | N_D | 130.9° | 126.1° |
| CHA | C4D | C3D | 122.1° | 126.0° |
| C4D | CHA | H22 | 116.2° | 120.0° |
| C4D | N_D | C1D | 107.2° | 108.4° |
| N_D | C4D | C3D | 107.0° | 108.0° |
| C4D | N_D | H24 | 126.4° | 125.8° |
| N_D | C1D | CHD | 129.0° | 125.9° |
| N_D | C1D | C2D | 108.9° | 108.3° |
| C1D | N_D | H24 | 126.4° | 125.8° |
| C4D | C3D | C2D | 109.2° | 107.5° |
| C4D | C3D | CAD | 127.4° | 126.2° |
| CHD | C1D | C2D | 122.2° | 125.8° |
| C1D | CHD | H33 | 118.0° | 120.0° |
| C1D | C2D | C3D | 107.8° | 107.8° |
| C1D | C2D | CMD | 126.3° | 126.1° |
| CBC | CAC | H38 | 107.6° | 109.5° |
| CBC | CAC | H39 | 107.6° | 109.5° |
| CAC | CBC | H40 | 109.5° | 109.5° |
| CAC | CBC | H41 | 109.5° | 109.4° |
| CAC | CBC | H42 | 109.5° | 109.4° |
| C2D | C3D | CAD | 123.4° | 126.2° |
| C3D | C2D | CMD | 126.0° | 126.1° |
| C3D | CAD | CBD | 110.7° | 109.5° |
| C3D | CAD | H25 | 109.2° | 109.5° |
| C3D | CAD | H26 | 109.2° | 109.5° |
| C2D | CMD | H30 | 109.5° | 109.4° |
| C2D | CMD | H31 | 109.5° | 109.5° |
| C2D | CMD | H32 | 109.5° | 109.5° |
| CAD | CBD | CGD | 109.0° | 109.5° |
| CBD | CAD | H25 | 109.2° | 109.5° |
| CBD | CAD | H26 | 109.2° | 109.5° |
| CAD | CBD | H27 | 109.6° | 109.5° |
| CAD | CBD | H28 | 109.6° | 109.5° |
| CBD | CGD | O1D | 117.8° | 120.0° |
| CBD | CGD | O2D | 116.5° | 120.0° |
| CGD | CBD | H27 | 109.6° | 109.4° |
| CGD | CBD | H28 | 109.6° | 109.5° |
| O1D | CGD | O2D | 125.7° | 120.0° |
| CGD | O2D | H29 | 109.5° | 117.0° |
| H2 | CBA | H3 | 109.5° | 109.5° |
| H4 | CAA | H5 | 109.5° | 109.4° |
| H6 | CEA | H7 | 109.4° | 108.9° |
| H8 | CEB | H9 | 109.5° | 108.7° |
| H10 | CAB | H11 | 109.4° | 109.4° |
| H12 | CBB | H13 | 109.5° | 109.5° |
| H12 | CBB | H14 | 109.4° | 109.5° |
| H13 | CBB | H14 | 109.5° | 109.5° |
| H15 | CMB | H16 | 109.5° | 109.5° |
| H15 | CMB | H17 | 109.5° | 109.5° |
| H16 | CMB | H17 | 109.5° | 109.5° |
| H25 | CAD | H26 | 109.4° | 109.5° |
| H27 | CBD | H28 | 109.5° | 109.4° |
| H30 | CMD | H31 | 109.5° | 109.5° |
| H30 | CMD | H32 | 109.5° | 109.5° |
| H31 | CMD | H32 | 109.4° | 109.5° |
| H35 | CMC | H36 | 109.5° | 109.4° |
| H35 | CMC | H37 | 109.5° | 109.5° |
| H36 | CMC | H37 | 109.4° | 109.4° |
| H38 | CAC | H39 | 109.4° | 109.4° |
| H40 | CBC | H41 | 109.5° | 109.5° |
| H40 | CBC | H42 | 109.5° | 109.5° |
| H41 | CBC | H42 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBB | CAB | C3B | H10 | 121.5° | 120.0° |
| CBB | CAB | C3B | H11 | 121.5° | 120.0° |
| CBB | CAB | C3B | C4B | 59.2° | 85.0° |
| CBB | CAB | C3B | C2B | 121.2° | 95.0° |
| CBB | CAB | H10 | H11 | 115.2° | 120.0° |
| CAB | CBB | H12 | H13 | 120.0° | 120.0° |
| CAB | CBB | H12 | H14 | 120.0° | 120.0° |
| CAB | CBB | H13 | H14 | 120.0° | 120.0° |
| CAB | C3B | C4B | O_B | 0.5° | 3.2° |
| CAB | C3B | C4B | C2B | 179.6° | 179.9° |
| CAB | C3B | C4B | N_B | 179.7° | 176.8° |
| CAB | C3B | C2B | CMB | 0.6° | 0.8° |
| CAB | C3B | C2B | C1B | 179.8° | 179.2° |
| C3B | CAB | H10 | H11 | 115.2° | 120.0° |
| C3B | CAB | CBB | H12 | 180.0° | 179.9° |
| C3B | CAB | CBB | H13 | 60.0° | 60.0° |
| C3B | CAB | CBB | H14 | 60.0° | 60.0° |
| O_B | C4B | C3B | N_B | 179.8° | 180.0° |
| O_B | C4B | C3B | C2B | 179.9° | 176.9° |
| O_B | C4B | N_B | C1B | 179.8° | 174.1° |
| O_B | C4B | N_B | CEB | 0.2° | 7.2° |
| C4B | C3B | C2B | CMB | 179.7° | 179.2° |
| C4B | C3B | C2B | C1B | 0.1° | 0.8° |
| C3B | C4B | N_B | C1B | 0.0° | 5.9° |
| C3B | C4B | N_B | CEB | 180.0° | 172.9° |
| C4B | C3B | CAB | H10 | 179.3° | 35.0° |
| C4B | C3B | CAB | H11 | 62.3° | 155.0° |
| C2B | C3B | C4B | N_B | 0.1° | 3.1° |
| C3B | C2B | CMB | C1B | 179.5° | 180.0° |
| C3B | C2B | C1B | N_B | 0.1° | 4.5° |
| C3B | C2B | C1B | CHB | 179.8° | 173.1° |
| C2B | C3B | CAB | H10 | 0.3° | 145.0° |
| C2B | C3B | CAB | H11 | 117.3° | 25.1° |
| C3B | C2B | CMB | H15 | 180.0° | 0.0° |
| C3B | C2B | CMB | H16 | 60.0° | 120.0° |
| C3B | C2B | CMB | H17 | 60.0° | 120.1° |
| C4B | N_B | C1B | C2B | 0.1° | 6.4° |
| C4B | N_B | C1B | CEB | 179.9° | 178.5° |
| C4B | N_B | C1B | CHB | 179.7° | 171.1° |
| C4B | N_B | CEB | CEA | 124.0° | 140.4° |
| C4B | N_B | CEB | H8 | 115.8° | 19.4° |
| C4B | N_B | CEB | H9 | 3.8° | 98.7° |
| CMB | C2B | C1B | N_B | 179.7° | 175.5° |
| CMB | C2B | C1B | CHB | 0.6° | 6.9° |
| C2B | CMB | H15 | H16 | 120.0° | 119.9° |
| C2B | CMB | H15 | H17 | 120.0° | 120.0° |
| C2B | CMB | H16 | H17 | 120.0° | 119.9° |
| C2B | C1B | N_B | CHB | 179.6° | 177.5° |
| C2B | C1B | N_B | CEB | 179.9° | 172.1° |
| C2B | C1B | CHB | C4A | 156.8° | 170.2° |
| C1B | C2B | CMB | H15 | 0.5° | 180.0° |
| C1B | C2B | CMB | H16 | 119.5° | 60.0° |
| C1B | C2B | CMB | H17 | 120.5° | 59.9° |
| C2B | C1B | CHB | H19 | 23.2° | 9.8° |
| C1B | N_B | CEB | CEA | 56.1° | 37.9° |
| N_B | C1B | CHB | C4A | 23.6° | 12.7° |
| C1B | N_B | CEB | H8 | 64.2° | 158.9° |
| C1B | N_B | CEB | H9 | 176.2° | 83.0° |
| N_B | C1B | CHB | H19 | 156.4° | 167.3° |
| CEB | N_B | C1B | CHB | 0.2° | 10.4° |
| N_B | CEB | CEA | H8 | 120.2° | 121.0° |
| N_B | CEB | CEA | H9 | 120.2° | 120.9° |
| N_B | CEB | CEA | C3A | 77.1° | 62.0° |
| N_B | CEB | CEA | H6 | 162.6° | 58.7° |
| N_B | CEB | CEA | H7 | 43.2° | 177.4° |
| N_B | CEB | H8 | H9 | 119.4° | 118.1° |
| C1B | CHB | C4A | H19 | 180.0° | 180.0° |
| C1B | CHB | C4A | C3A | 0.1° | 18.5° |
| C1B | CHB | C4A | N_A | 179.9° | 164.9° |
| CEB | CEA | C3A | H6 | 120.3° | 120.7° |
| CEB | CEA | C3A | H7 | 120.3° | 120.6° |
| CEB | CEA | C3A | C4A | 44.1° | 37.7° |
| CEB | CEA | C3A | C2A | 136.8° | 138.2° |
| CEB | CEA | H6 | H7 | 119.3° | 118.7° |
| CEA | CEB | H8 | H9 | 119.4° | 118.2° |
| CHB | C4A | C3A | CEA | 0.5° | 12.0° |
| CHB | C4A | C3A | N_A | 180.0° | 177.0° |
| CHB | C4A | C3A | C2A | 179.8° | 171.6° |
| CHB | C4A | N_A | C1A | 179.9° | 171.9° |
| CEA | C3A | C4A | C2A | 179.3° | 176.4° |
| CEA | C3A | C4A | N_A | 179.4° | 171.0° |
| CEA | C3A | C2A | C1A | 179.6° | 173.3° |
| CEA | C3A | C2A | CAA | 0.0° | 6.4° |
| C3A | CEA | H6 | H7 | 119.3° | 118.8° |
| C3A | CEA | CEB | H8 | 43.1° | 177.0° |
| C3A | CEA | CEB | H9 | 162.7° | 58.9° |
| C3A | C4A | N_A | C1A | 0.0° | 5.1° |
| C4A | C3A | C2A | C1A | 0.3° | 3.5° |
| C4A | C3A | C2A | CAA | 179.3° | 176.7° |
| C4A | C3A | CEA | H6 | 164.4° | 83.0° |
| C4A | C3A | CEA | H7 | 76.2° | 158.3° |
| C3A | C4A | CHB | H19 | 179.9° | 161.6° |
| N_A | C4A | C3A | C2A | 0.2° | 5.4° |
| C4A | N_A | C1A | C2A | 0.1° | 2.8° |
| C4A | N_A | C1A | CHA | 176.8° | 177.4° |
| N_A | C4A | CHB | H19 | 0.1° | 15.0° |
| O_C | C1C | C2C | N_C | 179.5° | 179.8° |
| O_C | C1C | C2C | CMC | 1.0° | 0.2° |
| O_C | C1C | C2C | C3C | 179.2° | 180.0° |
| O_C | C1C | N_C | C4C | 179.3° | 179.7° |
| O_C | C1C | N_C | H18 | 0.7° | 0.2° |
| C3A | C2A | C1A | N_A | 0.2° | 0.6° |
| C3A | C2A | C1A | CAA | 179.5° | 179.7° |
| C3A | C2A | C1A | CHA | 177.1° | 179.2° |
| C3A | C2A | CAA | CBA | 96.2° | 95.3° |
| C3A | C2A | CAA | H4 | 24.2° | 24.7° |
| C3A | C2A | CAA | H5 | 143.4° | 144.7° |
| C2A | C3A | CEA | H6 | 16.5° | 101.1° |
| C2A | C3A | CEA | H7 | 103.0° | 17.7° |
| O1A | CGA | O2A | CBA | 179.6° | 180.0° |
| O1A | CGA | CBA | CAA | 119.6° | 0.0° |
| O1A | CGA | O2A | H1 | 0.0° | 0.0° |
| O1A | CGA | CBA | H2 | 0.7° | 120.0° |
| O1A | CGA | CBA | H3 | 120.1° | 120.0° |
| N_A | C1A | C2A | CHA | 176.8° | 179.8° |
| N_A | C1A | C2A | CAA | 179.3° | 179.7° |
| N_A | C1A | CHA | C4D | 5.9° | 0.3° |
| N_A | C1A | CHA | H22 | 174.1° | 179.7° |
| O2A | CGA | CBA | CAA | 60.8° | 180.0° |
| O2A | CGA | CBA | H2 | 178.9° | 60.0° |
| O2A | CGA | CBA | H3 | 59.5° | 60.0° |
| C1C | C2C | CMC | C3C | 179.7° | 179.8° |
| C2C | C1C | N_C | C4C | 0.2° | 0.1° |
| C1C | C2C | C3C | C4C | 0.3° | 0.4° |
| C1C | C2C | C3C | CAC | 179.5° | 180.0° |
| C1C | C2C | CMC | H35 | 180.0° | 0.1° |
| C1C | C2C | CMC | H36 | 60.0° | 120.0° |
| C1C | C2C | CMC | H37 | 60.0° | 120.0° |
| C2C | C1C | N_C | H18 | 179.8° | 180.0° |
| N_C | C1C | C2C | CMC | 179.5° | 180.0° |
| N_C | C1C | C2C | C3C | 0.3° | 0.2° |
| C1C | N_C | C4C | H18 | 180.0° | 179.9° |
| C1C | N_C | C4C | C3C | 0.0° | 0.3° |
| C1C | N_C | C4C | CHD | 179.1° | 180.0° |
| CGA | CBA | CAA | C2A | 90.7° | 180.0° |
| CGA | CBA | CAA | H2 | 120.3° | 120.0° |
| CGA | CBA | CAA | H3 | 120.3° | 120.0° |
| CBA | CGA | O2A | H1 | 179.5° | 180.0° |
| CGA | CBA | H2 | H3 | 119.0° | 120.0° |
| CGA | CBA | CAA | H4 | 29.7° | 60.0° |
| CGA | CBA | CAA | H5 | 148.9° | 60.0° |
| C1A | C2A | CAA | CBA | 84.3° | 85.0° |
| C2A | C1A | CHA | C4D | 178.0° | 180.0° |
| C1A | C2A | CAA | H4 | 155.3° | 155.0° |
| C1A | C2A | CAA | H5 | 36.1° | 35.0° |
| C2A | C1A | CHA | H22 | 2.0° | 0.0° |
| CAA | C2A | C1A | CHA | 2.5° | 0.6° |
| C2A | CAA | CBA | H4 | 120.4° | 120.0° |
| C2A | CAA | CBA | H5 | 120.4° | 120.1° |
| C2A | CAA | CBA | H2 | 29.6° | 60.1° |
| C2A | CAA | CBA | H3 | 149.0° | 60.0° |
| C2A | CAA | H4 | H5 | 118.7° | 120.0° |
| CMC | C2C | C3C | C4C | 179.5° | 179.8° |
| CMC | C2C | C3C | CAC | 0.2° | 0.2° |
| C2C | CMC | H35 | H36 | 120.0° | 120.0° |
| C2C | CMC | H35 | H37 | 120.0° | 120.1° |
| C2C | CMC | H36 | H37 | 120.0° | 120.1° |
| C2C | C3C | C4C | N_C | 0.2° | 0.5° |
| C2C | C3C | C4C | CAC | 179.3° | 179.6° |
| C2C | C3C | C4C | CHD | 179.0° | 179.9° |
| C2C | C3C | CAC | CBC | 48.4° | 95.0° |
| C3C | C2C | CMC | H35 | 0.3° | 179.7° |
| C3C | C2C | CMC | H36 | 120.3° | 59.8° |
| C3C | C2C | CMC | H37 | 119.8° | 60.2° |
| C2C | C3C | CAC | H38 | 72.7° | 145.0° |
| C2C | C3C | CAC | H39 | 169.5° | 25.1° |
| C1A | CHA | C4D | H22 | 180.0° | 180.0° |
| C1A | CHA | C4D | N_D | 0.7° | 0.3° |
| C1A | CHA | C4D | C3D | 179.7° | 179.9° |
| N_C | C4C | C3C | CHD | 179.1° | 179.7° |
| N_C | C4C | C3C | CAC | 179.4° | 180.0° |
| N_C | C4C | CHD | C1D | 2.3° | 7.5° |
| N_C | C4C | CHD | H33 | 177.7° | 172.6° |
| CAA | CBA | H2 | H3 | 119.1° | 120.0° |
| CBA | CAA | H4 | H5 | 118.7° | 120.0° |
| C3C | C4C | CHD | C1D | 178.7° | 172.9° |
| C4C | C3C | CAC | CBC | 132.5° | 85.5° |
| C3C | C4C | CHD | H33 | 1.4° | 7.0° |
| C4C | C3C | CAC | H38 | 106.4° | 34.5° |
| C4C | C3C | CAC | H39 | 11.4° | 154.4° |
| C3C | C4C | N_C | H18 | 180.0° | 179.8° |
| CAC | C3C | C4C | CHD | 0.3° | 0.3° |
| C3C | CAC | CBC | H38 | 121.1° | 120.0° |
| C3C | CAC | CBC | H39 | 121.1° | 120.0° |
| C3C | CAC | H38 | H39 | 116.6° | 120.0° |
| C3C | CAC | CBC | H40 | 180.0° | 60.0° |
| C3C | CAC | CBC | H41 | 60.0° | 180.0° |
| C3C | CAC | CBC | H42 | 60.0° | 60.1° |
| C4C | CHD | C1D | N_D | 8.0° | 17.4° |
| C4C | CHD | C1D | H33 | 180.0° | 179.9° |
| C4C | CHD | C1D | C2D | 173.1° | 162.5° |
| CHD | C4C | N_C | H18 | 0.9° | 0.1° |
| CHA | C4D | N_D | C3D | 179.0° | 179.7° |
| CHA | C4D | N_D | C1D | 179.7° | 180.0° |
| CHA | C4D | C3D | C2D | 179.5° | 180.0° |
| CHA | C4D | C3D | CAD | 0.1° | 0.1° |
| CHA | C4D | N_D | H24 | 0.3° | 0.1° |
| C4D | N_D | C1D | H24 | 180.0° | 179.9° |
| C4D | N_D | C1D | CHD | 179.8° | 180.0° |
| C4D | N_D | C1D | C2D | 0.8° | 0.2° |
| N_D | C4D | C3D | C2D | 0.4° | 0.3° |
| N_D | C4D | C3D | CAD | 179.0° | 179.7° |
| N_D | C4D | CHA | H22 | 179.3° | 179.6° |
| C1D | N_D | C4D | C3D | 0.7° | 0.3° |
| N_D | C1D | CHD | C2D | 178.9° | 179.9° |
| N_D | C1D | C2D | C3D | 0.5° | 0.1° |
| N_D | C1D | C2D | CMD | 179.3° | 179.8° |
| N_D | C1D | CHD | H33 | 172.0° | 162.5° |
| C4D | C3D | C2D | C1D | 0.1° | 0.2° |
| C4D | C3D | C2D | CAD | 179.4° | 179.9° |
| C4D | C3D | C2D | CMD | 179.7° | 180.0° |
| C4D | C3D | CAD | CBD | 76.7° | 89.9° |
| C3D | C4D | CHA | H22 | 0.4° | 0.0° |
| C3D | C4D | N_D | H24 | 179.3° | 179.8° |
| C4D | C3D | CAD | H25 | 43.5° | 150.1° |
| C4D | C3D | CAD | H26 | 163.1° | 30.1° |
| CHD | C1D | C2D | C3D | 179.6° | 179.8° |
| CHD | C1D | C2D | CMD | 0.2° | 0.1° |
| CHD | C1D | N_D | H24 | 0.2° | 0.0° |
| C1D | C2D | C3D | CMD | 179.8° | 179.8° |
| C1D | C2D | C3D | CAD | 179.5° | 179.8° |
| C2D | C1D | N_D | H24 | 179.3° | 179.9° |
| C1D | C2D | CMD | H30 | 90.1° | 90.2° |
| C1D | C2D | CMD | H31 | 149.9° | 29.7° |
| C1D | C2D | CMD | H32 | 29.9° | 149.8° |
| C2D | C1D | CHD | H33 | 6.9° | 17.6° |
| CBC | CAC | H38 | H39 | 116.6° | 120.0° |
| CAC | CBC | H40 | H41 | 120.0° | 120.0° |
| CAC | CBC | H40 | H42 | 120.0° | 120.0° |
| CAC | CBC | H41 | H42 | 120.0° | 119.9° |
| C2D | C3D | CAD | CBD | 104.0° | 90.0° |
| C2D | C3D | CAD | H25 | 135.8° | 30.0° |
| C2D | C3D | CAD | H26 | 16.2° | 150.0° |
| C3D | C2D | CMD | H30 | 90.1° | 90.0° |
| C3D | C2D | CMD | H31 | 29.9° | 150.0° |
| C3D | C2D | CMD | H32 | 149.9° | 29.9° |
| CAD | C3D | C2D | CMD | 0.3° | 0.1° |
| C3D | CAD | CBD | H25 | 120.2° | 120.0° |
| C3D | CAD | CBD | H26 | 120.2° | 120.0° |
| C3D | CAD | CBD | CGD | 164.8° | 180.0° |
| C3D | CAD | H25 | H26 | 119.4° | 120.0° |
| C3D | CAD | CBD | H27 | 44.9° | 60.0° |
| C3D | CAD | CBD | H28 | 75.3° | 60.0° |
| C2D | CMD | H30 | H31 | 120.0° | 120.0° |
| C2D | CMD | H30 | H32 | 120.0° | 120.0° |
| C2D | CMD | H31 | H32 | 120.0° | 120.0° |
| CAD | CBD | CGD | H27 | 119.9° | 120.0° |
| CAD | CBD | CGD | H28 | 119.9° | 120.1° |
| CAD | CBD | CGD | O1D | 111.3° | 0.0° |
| CAD | CBD | CGD | O2D | 68.5° | 180.0° |
| CBD | CAD | H25 | H26 | 119.4° | 120.0° |
| CAD | CBD | H27 | H28 | 120.2° | 120.1° |
| CBD | CGD | O1D | O2D | 179.8° | 180.0° |
| CGD | CBD | CAD | H25 | 75.0° | 60.0° |
| CGD | CBD | CAD | H26 | 44.6° | 60.0° |
| CGD | CBD | H27 | H28 | 120.2° | 120.0° |
| CBD | CGD | O2D | H29 | 179.8° | 180.0° |
| O1D | CGD | CBD | H27 | 128.7° | 120.0° |
| O1D | CGD | CBD | H28 | 8.6° | 120.1° |
| O1D | CGD | O2D | H29 | 0.0° | 0.0° |
| O2D | CGD | CBD | H27 | 51.4° | 60.0° |
| O2D | CGD | CBD | H28 | 171.6° | 59.9° |
| H2 | CBA | CAA | H4 | 150.1° | 180.0° |
| H2 | CBA | CAA | H5 | 90.8° | 60.0° |
| H3 | CBA | CAA | H4 | 90.5° | 60.0° |
| H3 | CBA | CAA | H5 | 28.6° | 179.9° |
| H6 | CEA | CEB | H8 | 77.2° | 62.3° |
| H6 | CEA | CEB | H9 | 42.5° | 179.6° |
| H7 | CEA | CEB | H8 | 163.3° | 56.4° |
| H7 | CEA | CEB | H9 | 77.0° | 61.7° |
| H10 | CAB | CBB | H12 | 58.5° | 59.9° |
| H10 | CAB | CBB | H13 | 61.5° | 180.0° |
| H10 | CAB | CBB | H14 | 178.5° | 60.0° |
| H11 | CAB | CBB | H12 | 58.5° | 60.0° |
| H11 | CAB | CBB | H13 | 178.5° | 60.0° |
| H11 | CAB | CBB | H14 | 61.5° | 180.0° |
| H12 | CBB | H13 | H14 | 120.0° | 120.0° |
| H15 | CMB | H16 | H17 | 120.0° | 120.1° |
| H25 | CAD | CBD | H27 | 165.1° | 180.0° |
| H25 | CAD | CBD | H28 | 44.9° | 60.0° |
| H26 | CAD | CBD | H27 | 75.3° | 60.0° |
| H26 | CAD | CBD | H28 | 164.5° | 180.0° |
| H30 | CMD | H31 | H32 | 120.0° | 120.1° |
| H35 | CMC | H36 | H37 | 120.0° | 120.0° |
| H38 | CAC | CBC | H40 | 58.9° | 60.0° |
| H38 | CAC | CBC | H41 | 178.9° | 60.0° |
| H38 | CAC | CBC | H42 | 61.1° | 180.0° |
| H39 | CAC | CBC | H40 | 58.9° | 180.0° |
| H39 | CAC | CBC | H41 | 61.1° | 60.0° |
| H39 | CAC | CBC | H42 | 178.9° | 60.0° |
| H40 | CBC | H41 | H42 | 120.0° | 120.1° |
