J1R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1C | CGD | doub | 1.26Å | 1.26Å | |
| O2C | CGD | sing | 1.26Å | 1.26Å | |
| CGD | CBD | sing | 1.52Å | 1.52Å | |
| CBD | CAC | sing | 1.54Å | 1.54Å | |
| CAB | C3B | sing | 1.52Å | 1.52Å | |
| CAB | CBB | sing | 1.54Å | 1.54Å | |
| O2B | CGB | doub | 1.30Å | 1.30Å | |
| CAC | C2C | sing | 1.51Å | 1.51Å | |
| C3B | C4B | sing | 1.37Å | 1.37Å | Aromatic |
| C3B | C2B | doub | 1.38Å | 1.38Å | Aromatic |
| CHB | C4B | doub | 1.47Å | 1.47Å | |
| CHB | C1C | sing | 1.44Å | 1.44Å | |
| C2C | C1C | sing | 1.36Å | 1.36Å | |
| C2C | C3C | doub | 1.38Å | 1.38Å | |
| CMB | C2B | sing | 1.50Å | 1.50Å | |
| C4B | NB | sing | 1.34Å | 1.34Å | Aromatic |
| C2B | C1B | sing | 1.40Å | 1.40Å | Aromatic |
| C1C | NC | doub | 1.34Å | 1.34Å | |
| CBB | CGB | sing | 1.53Å | 1.53Å | |
| CGB | O1B | sing | 1.24Å | 1.24Å | |
| CMC | C3C | sing | 1.52Å | 1.52Å | |
| C3C | C4C | sing | 1.38Å | 1.38Å | |
| CAD | C4D | sing | 1.55Å | 1.55Å | |
| C1B | NB | sing | 1.36Å | 1.36Å | Aromatic |
| C1B | CHA | doub | 1.48Å | 1.48Å | |
| NB | CO | sing | 1.90Å | 1.90Å | |
| NC | C4C | sing | 1.37Å | 1.37Å | |
| NC | CO | sing | 1.90Å | 1.90Å | |
| C4C | CHC | doub | 1.50Å | 1.50Å | |
| CHA | C4A | sing | 1.44Å | 1.44Å | |
| CO | NA | sing | 1.82Å | 1.82Å | |
| CO | ND | sing | 1.87Å | 1.87Å | |
| CHC | C1D | sing | 1.46Å | 1.46Å | |
| C4A | NA | doub | 1.32Å | 1.32Å | |
| C4A | C3A | sing | 1.39Å | 1.39Å | |
| NA | C1A | sing | 1.53Å | 1.53Å | |
| ND | C1D | doub | 1.32Å | 1.32Å | |
| ND | C4D | sing | 1.50Å | 1.50Å | |
| C1D | C2D | sing | 1.42Å | 1.42Å | |
| C4D | C3D | sing | 1.50Å | 1.50Å | |
| C4D | C1A | sing | 1.50Å | 1.50Å | |
| C3A | C6A | sing | 1.50Å | 1.50Å | |
| C3A | C2A | doub | 1.40Å | 1.40Å | |
| C2D | C3D | doub | 1.39Å | 1.39Å | |
| C2D | C5D | sing | 1.50Å | 1.50Å | |
| C3D | C6D | sing | 1.51Å | 1.51Å | |
| C1A | C2A | sing | 1.51Å | 1.51Å | |
| C1A | CAA | sing | 1.56Å | 1.56Å | |
| C2A | C5A | sing | 1.52Å | 1.52Å | |
| O1B | H1 | sing | 0.95Å | 0.95Å | |
| CBB | H2 | sing | 1.10Å | 1.10Å | |
| CBB | H3 | sing | 1.10Å | 1.10Å | |
| CAB | H4 | sing | 1.10Å | 1.10Å | |
| CAB | H5 | sing | 1.10Å | 1.10Å | |
| CMB | H6 | sing | 1.10Å | 1.10Å | |
| CMB | H7 | sing | 1.10Å | 1.10Å | |
| CMB | H8 | sing | 1.10Å | 1.10Å | |
| CHB | H9 | sing | 1.08Å | 1.08Å | |
| CHA | H10 | sing | 1.08Å | 1.08Å | |
| C6A | H11 | sing | 1.10Å | 1.10Å | |
| C6A | H12 | sing | 1.10Å | 1.10Å | |
| C6A | H13 | sing | 1.10Å | 1.10Å | |
| C5A | H14 | sing | 1.10Å | 1.10Å | |
| C5A | H15 | sing | 1.10Å | 1.10Å | |
| C5A | H16 | sing | 1.10Å | 1.10Å | |
| CAA | H17 | sing | 1.10Å | 1.10Å | |
| CAA | H18 | sing | 1.10Å | 1.10Å | |
| CAA | H19 | sing | 1.10Å | 1.10Å | |
| CAD | H20 | sing | 1.10Å | 1.10Å | |
| CAD | H21 | sing | 1.10Å | 1.10Å | |
| CAD | H22 | sing | 1.10Å | 1.10Å | |
| C6D | H23 | sing | 1.10Å | 1.10Å | |
| C6D | H24 | sing | 1.10Å | 1.10Å | |
| C6D | H25 | sing | 1.10Å | 1.10Å | |
| C5D | H26 | sing | 1.10Å | 1.10Å | |
| C5D | H27 | sing | 1.10Å | 1.10Å | |
| C5D | H28 | sing | 1.10Å | 1.10Å | |
| CHC | H29 | sing | 1.08Å | 1.08Å | |
| CMC | H30 | sing | 1.10Å | 1.10Å | |
| CMC | H31 | sing | 1.10Å | 1.10Å | |
| CMC | H32 | sing | 1.10Å | 1.10Å | |
| CAC | H33 | sing | 1.10Å | 1.10Å | |
| CAC | H34 | sing | 1.10Å | 1.10Å | |
| CBD | H35 | sing | 1.10Å | 1.10Å | |
| CBD | H36 | sing | 1.10Å | 1.10Å | |
| O2C | H37 | sing | 0.95Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1C | CGD | O2C | 124.2° | 124.2° |
| O1C | CGD | CBD | 117.5° | 117.5° |
| O2C | CGD | CBD | 118.2° | 118.2° |
| CGD | O2C | H37 | 109.5° | 109.5° |
| CGD | CBD | CAC | 116.8° | 116.8° |
| CGD | CBD | H35 | 107.6° | 107.6° |
| CGD | CBD | H36 | 107.6° | 107.6° |
| CBD | CAC | C2C | 107.1° | 107.1° |
| CBD | CAC | H33 | 110.1° | 110.1° |
| CBD | CAC | H34 | 110.0° | 110.0° |
| CAC | CBD | H35 | 107.6° | 107.6° |
| CAC | CBD | H36 | 107.6° | 107.6° |
| C3B | CAB | CBB | 111.7° | 111.7° |
| CAB | C3B | C4B | 127.2° | 127.2° |
| CAB | C3B | C2B | 128.3° | 128.3° |
| C3B | CAB | H4 | 108.9° | 108.9° |
| C3B | CAB | H5 | 108.9° | 108.9° |
| CAB | CBB | CGB | 107.3° | 107.3° |
| CAB | CBB | H2 | 110.0° | 110.0° |
| CAB | CBB | H3 | 110.0° | 110.0° |
| CBB | CAB | H4 | 108.9° | 108.9° |
| CBB | CAB | H5 | 108.9° | 108.9° |
| O2B | CGB | CBB | 124.1° | 124.1° |
| O2B | CGB | O1B | 126.0° | 126.0° |
| CAC | C2C | C1C | 127.1° | 127.1° |
| CAC | C2C | C3C | 127.4° | 127.4° |
| C2C | CAC | H33 | 110.0° | 110.1° |
| C2C | CAC | H34 | 110.1° | 110.1° |
| C4B | C3B | C2B | 104.5° | 104.5° |
| C3B | C4B | CHB | 126.0° | 126.0° |
| C3B | C4B | NB | 114.6° | 114.6° |
| C3B | C2B | CMB | 128.0° | 128.0° |
| C3B | C2B | C1B | 106.5° | 106.5° |
| C4B | CHB | C1C | 125.5° | 125.5° |
| CHB | C4B | NB | 119.4° | 119.4° |
| C4B | CHB | H9 | 117.3° | 117.3° |
| CHB | C1C | C2C | 124.2° | 124.2° |
| CHB | C1C | NC | 120.8° | 120.8° |
| C1C | CHB | H9 | 117.2° | 117.2° |
| C1C | C2C | C3C | 105.5° | 105.5° |
| C2C | C1C | NC | 115.0° | 115.0° |
| C2C | C3C | CMC | 125.8° | 125.8° |
| C2C | C3C | C4C | 104.8° | 104.8° |
| CMB | C2B | C1B | 125.6° | 125.6° |
| C2B | CMB | H6 | 109.5° | 109.5° |
| C2B | CMB | H7 | 109.5° | 109.5° |
| C2B | CMB | H8 | 109.5° | 109.5° |
| C4B | NB | C1B | 102.9° | 102.9° |
| C4B | NB | CO | 131.4° | 131.4° |
| C2B | C1B | NB | 111.3° | 111.3° |
| C2B | C1B | CHA | 123.3° | 123.3° |
| C1C | NC | C4C | 101.5° | 101.5° |
| C1C | NC | CO | 130.9° | 130.9° |
| CBB | CGB | O1B | 109.8° | 109.8° |
| CGB | CBB | H2 | 110.0° | 110.0° |
| CGB | CBB | H3 | 110.0° | 110.0° |
| CGB | O1B | H1 | 109.5° | 109.5° |
| CMC | C3C | C4C | 129.3° | 129.3° |
| C3C | CMC | H30 | 109.5° | 109.5° |
| C3C | CMC | H31 | 109.5° | 109.5° |
| C3C | CMC | H32 | 109.5° | 109.5° |
| C3C | C4C | NC | 113.1° | 113.1° |
| C3C | C4C | CHC | 123.2° | 123.2° |
| CAD | C4D | ND | 113.5° | 113.5° |
| CAD | C4D | C3D | 103.5° | 103.5° |
| CAD | C4D | C1A | 104.2° | 104.2° |
| C4D | CAD | H20 | 109.5° | 109.5° |
| C4D | CAD | H21 | 109.5° | 109.5° |
| C4D | CAD | H22 | 109.4° | 109.5° |
| NB | C1B | CHA | 125.4° | 125.4° |
| C1B | NB | CO | 125.4° | 125.4° |
| C1B | CHA | C4A | 123.2° | 123.2° |
| C1B | CHA | H10 | 118.4° | 118.4° |
| NB | CO | NC | 91.9° | 91.9° |
| NB | CO | NA | 90.1° | 90.1° |
| NB | CO | ND | 177.8° | 177.8° |
| C4C | NC | CO | 127.5° | 127.5° |
| NC | C4C | CHC | 123.7° | 123.7° |
| NC | CO | NA | 178.1° | 178.1° |
| NC | CO | ND | 89.5° | 89.5° |
| C4C | CHC | C1D | 123.5° | 123.5° |
| C4C | CHC | H29 | 118.3° | 118.3° |
| CHA | C4A | NA | 113.8° | 113.8° |
| CHA | C4A | C3A | 130.3° | 130.3° |
| C4A | CHA | H10 | 118.4° | 118.4° |
| NA | CO | ND | 88.6° | 88.6° |
| CO | NA | C4A | 142.0° | 142.0° |
| CO | NA | C1A | 110.4° | 110.4° |
| CO | ND | C1D | 140.9° | 140.9° |
| CO | ND | C4D | 110.1° | 110.1° |
| CHC | C1D | ND | 113.9° | 113.9° |
| CHC | C1D | C2D | 132.0° | 132.0° |
| C1D | CHC | H29 | 118.2° | 118.2° |
| NA | C4A | C3A | 115.9° | 115.9° |
| C4A | NA | C1A | 107.5° | 107.5° |
| C4A | C3A | C6A | 124.3° | 124.3° |
| C4A | C3A | C2A | 104.7° | 104.7° |
| NA | C1A | C4D | 105.9° | 105.9° |
| NA | C1A | C2A | 100.1° | 100.1° |
| NA | C1A | CAA | 112.1° | 112.1° |
| C1D | ND | C4D | 108.3° | 108.3° |
| ND | C1D | C2D | 114.0° | 114.0° |
| ND | C4D | C3D | 100.9° | 100.9° |
| ND | C4D | C1A | 104.7° | 104.7° |
| C1D | C2D | C3D | 104.4° | 104.4° |
| C1D | C2D | C5D | 125.7° | 125.7° |
| C3D | C4D | C1A | 130.3° | 130.3° |
| C4D | C3D | C2D | 110.9° | 110.9° |
| C4D | C3D | C6D | 126.1° | 126.1° |
| C4D | C1A | C2A | 129.3° | 129.3° |
| C4D | C1A | CAA | 105.7° | 105.7° |
| C6A | C3A | C2A | 131.0° | 131.0° |
| C3A | C6A | H11 | 109.5° | 109.5° |
| C3A | C6A | H12 | 109.4° | 109.4° |
| C3A | C6A | H13 | 109.4° | 109.4° |
| C3A | C2A | C1A | 110.6° | 110.6° |
| C3A | C2A | C5A | 122.7° | 122.7° |
| C3D | C2D | C5D | 129.9° | 129.9° |
| C2D | C3D | C6D | 122.2° | 122.2° |
| C2D | C5D | H26 | 109.5° | 109.5° |
| C2D | C5D | H27 | 109.5° | 109.5° |
| C2D | C5D | H28 | 109.5° | 109.5° |
| C3D | C6D | H23 | 109.5° | 109.5° |
| C3D | C6D | H24 | 109.5° | 109.5° |
| C3D | C6D | H25 | 109.5° | 109.5° |
| C2A | C1A | CAA | 103.5° | 103.5° |
| C1A | C2A | C5A | 126.0° | 126.0° |
| C1A | CAA | H17 | 109.5° | 109.5° |
| C1A | CAA | H18 | 109.5° | 109.5° |
| C1A | CAA | H19 | 109.5° | 109.5° |
| C2A | C5A | H14 | 109.5° | 109.5° |
| C2A | C5A | H15 | 109.5° | 109.5° |
| C2A | C5A | H16 | 109.5° | 109.5° |
| H2 | CBB | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H6 | CMB | H7 | 109.4° | 109.4° |
| H6 | CMB | H8 | 109.5° | 109.5° |
| H7 | CMB | H8 | 109.5° | 109.5° |
| H11 | C6A | H12 | 109.5° | 109.5° |
| H11 | C6A | H13 | 109.4° | 109.4° |
| H12 | C6A | H13 | 109.5° | 109.5° |
| H14 | C5A | H15 | 109.5° | 109.4° |
| H14 | C5A | H16 | 109.5° | 109.5° |
| H15 | C5A | H16 | 109.4° | 109.5° |
| H17 | CAA | H18 | 109.5° | 109.5° |
| H17 | CAA | H19 | 109.5° | 109.5° |
| H18 | CAA | H19 | 109.5° | 109.5° |
| H20 | CAD | H21 | 109.5° | 109.5° |
| H20 | CAD | H22 | 109.5° | 109.5° |
| H21 | CAD | H22 | 109.5° | 109.4° |
| H23 | C6D | H24 | 109.5° | 109.5° |
| H23 | C6D | H25 | 109.4° | 109.4° |
| H24 | C6D | H25 | 109.5° | 109.5° |
| H26 | C5D | H27 | 109.5° | 109.5° |
| H26 | C5D | H28 | 109.5° | 109.5° |
| H27 | C5D | H28 | 109.5° | 109.5° |
| H30 | CMC | H31 | 109.4° | 109.4° |
| H30 | CMC | H32 | 109.5° | 109.5° |
| H31 | CMC | H32 | 109.5° | 109.5° |
| H33 | CAC | H34 | 109.5° | 109.5° |
| H35 | CBD | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1C | CGD | O2C | CBD | 177.5° | 177.5° |
| O1C | CGD | CBD | CAC | 108.4° | 108.4° |
| O1C | CGD | CBD | H35 | 130.5° | 130.5° |
| O1C | CGD | CBD | H36 | 12.7° | 12.7° |
| O1C | CGD | O2C | H37 | 0.0° | 0.0° |
| O2C | CGD | CBD | CAC | 73.9° | 73.9° |
| O2C | CGD | CBD | H35 | 47.1° | 47.1° |
| O2C | CGD | CBD | H36 | 165.0° | 165.0° |
| CGD | CBD | CAC | H35 | 121.0° | 121.0° |
| CGD | CBD | CAC | H36 | 121.1° | 121.1° |
| CGD | CBD | CAC | C2C | 178.5° | 178.5° |
| CGD | CBD | CAC | H33 | 62.0° | 61.9° |
| CGD | CBD | CAC | H34 | 58.8° | 58.8° |
| CGD | CBD | H35 | H36 | 116.7° | 116.7° |
| CBD | CGD | O2C | H37 | 177.5° | 177.5° |
| CBD | CAC | C2C | H33 | 119.6° | 119.6° |
| CBD | CAC | C2C | H34 | 119.6° | 119.6° |
| CBD | CAC | C2C | C1C | 86.4° | 86.4° |
| CBD | CAC | C2C | C3C | 94.9° | 94.9° |
| CBD | CAC | H33 | H34 | 121.1° | 121.1° |
| CAC | CBD | H35 | H36 | 116.7° | 116.7° |
| C3B | CAB | CBB | H4 | 120.3° | 120.3° |
| C3B | CAB | CBB | H5 | 120.3° | 120.3° |
| CAB | C3B | C4B | C2B | 178.9° | 178.9° |
| CAB | C3B | C4B | CHB | 0.5° | 0.5° |
| CAB | C3B | C2B | CMB | 0.9° | 0.9° |
| CAB | C3B | C4B | NB | 178.0° | 178.0° |
| CAB | C3B | C2B | C1B | 179.3° | 179.3° |
| C3B | CAB | CBB | CGB | 97.6° | 97.6° |
| C3B | CAB | CBB | H2 | 22.0° | 22.0° |
| C3B | CAB | CBB | H3 | 142.7° | 142.7° |
| C3B | CAB | H4 | H5 | 119.0° | 119.0° |
| CAB | CBB | CGB | O2B | 56.0° | 56.0° |
| CBB | CAB | C3B | C4B | 89.3° | 89.3° |
| CBB | CAB | C3B | C2B | 92.1° | 92.1° |
| CAB | CBB | CGB | H2 | 119.6° | 119.6° |
| CAB | CBB | CGB | H3 | 119.7° | 119.7° |
| CAB | CBB | CGB | O1B | 122.4° | 122.4° |
| CAB | CBB | H2 | H3 | 121.0° | 121.0° |
| CBB | CAB | H4 | H5 | 119.0° | 119.0° |
| O2B | CGB | CBB | O1B | 178.4° | 178.4° |
| O2B | CGB | O1B | H1 | 0.0° | 0.0° |
| O2B | CGB | CBB | H2 | 175.6° | 175.6° |
| O2B | CGB | CBB | H3 | 63.7° | 63.7° |
| CAC | C2C | C1C | CHB | 1.1° | 1.1° |
| CAC | C2C | C1C | C3C | 178.9° | 178.9° |
| CAC | C2C | C1C | NC | 178.5° | 178.5° |
| CAC | C2C | C3C | CMC | 2.1° | 2.1° |
| CAC | C2C | C3C | C4C | 179.9° | 179.9° |
| C2C | CAC | H33 | H34 | 121.1° | 121.1° |
| C2C | CAC | CBD | H35 | 57.4° | 57.4° |
| C2C | CAC | CBD | H36 | 60.5° | 60.5° |
| C3B | C4B | CHB | NB | 178.4° | 178.4° |
| C3B | C4B | CHB | C1C | 178.1° | 178.1° |
| C4B | C3B | C2B | CMB | 179.8° | 179.8° |
| C4B | C3B | C2B | C1B | 0.4° | 0.4° |
| C3B | C4B | NB | C1B | 4.4° | 4.4° |
| C3B | C4B | NB | CO | 178.7° | 178.7° |
| C4B | C3B | CAB | H4 | 150.3° | 150.3° |
| C4B | C3B | CAB | H5 | 31.0° | 31.0° |
| C3B | C4B | CHB | H9 | 1.9° | 1.9° |
| C2B | C3B | C4B | CHB | 178.4° | 178.4° |
| C3B | C2B | CMB | C1B | 179.8° | 179.8° |
| C2B | C3B | C4B | NB | 3.2° | 3.2° |
| C3B | C2B | C1B | NB | 2.3° | 2.3° |
| C3B | C2B | C1B | CHA | 178.8° | 178.8° |
| C2B | C3B | CAB | H4 | 28.3° | 28.3° |
| C2B | C3B | CAB | H5 | 147.6° | 147.6° |
| C3B | C2B | CMB | H6 | 180.0° | 180.0° |
| C3B | C2B | CMB | H7 | 60.0° | 60.0° |
| C3B | C2B | CMB | H8 | 60.0° | 60.0° |
| C4B | CHB | C1C | H9 | 180.0° | 180.0° |
| C4B | CHB | C1C | C2C | 178.5° | 178.5° |
| C4B | CHB | C1C | NC | 1.9° | 1.9° |
| CHB | C4B | NB | C1B | 177.0° | 177.0° |
| CHB | C4B | NB | CO | 2.7° | 2.7° |
| CHB | C1C | C2C | NC | 179.6° | 179.6° |
| CHB | C1C | C2C | C3C | 177.8° | 177.8° |
| C1C | CHB | C4B | NB | 0.3° | 0.3° |
| CHB | C1C | NC | C4C | 177.7° | 177.7° |
| CHB | C1C | NC | CO | 0.7° | 0.7° |
| C1C | C2C | C3C | CMC | 179.0° | 179.0° |
| C1C | C2C | C3C | C4C | 1.3° | 1.3° |
| C2C | C1C | NC | C4C | 2.8° | 2.8° |
| C2C | C1C | NC | CO | 179.7° | 179.7° |
| C2C | C1C | CHB | H9 | 1.5° | 1.5° |
| C1C | C2C | CAC | H33 | 33.2° | 33.2° |
| C1C | C2C | CAC | H34 | 153.9° | 153.9° |
| C3C | C2C | C1C | NC | 2.7° | 2.7° |
| C2C | C3C | CMC | C4C | 177.1° | 177.1° |
| C2C | C3C | C4C | NC | 0.4° | 0.4° |
| C2C | C3C | C4C | CHC | 178.6° | 178.6° |
| C2C | C3C | CMC | H30 | 180.0° | 180.0° |
| C2C | C3C | CMC | H31 | 60.0° | 60.0° |
| C2C | C3C | CMC | H32 | 60.0° | 60.0° |
| C3C | C2C | CAC | H33 | 145.4° | 145.4° |
| C3C | C2C | CAC | H34 | 24.7° | 24.7° |
| CMB | C2B | C1B | NB | 177.5° | 177.5° |
| CMB | C2B | C1B | CHA | 1.4° | 1.4° |
| C2B | CMB | H6 | H7 | 120.0° | 120.0° |
| C2B | CMB | H6 | H8 | 120.0° | 120.0° |
| C2B | CMB | H7 | H8 | 120.0° | 120.0° |
| C4B | NB | C1B | C2B | 4.0° | 4.0° |
| C4B | NB | C1B | CO | 174.7° | 174.7° |
| C4B | NB | C1B | CHA | 177.1° | 177.1° |
| C4B | NB | CO | NC | 3.1° | 3.1° |
| C4B | NB | CO | NA | 177.1° | 177.1° |
| C4B | NB | CO | ND | 124.8° | 124.8° |
| NB | C4B | CHB | H9 | 179.7° | 179.7° |
| C2B | C1B | NB | CHA | 178.9° | 178.9° |
| C2B | C1B | NB | CO | 178.7° | 178.7° |
| C2B | C1B | CHA | C4A | 178.1° | 178.1° |
| C1B | C2B | CMB | H6 | 0.3° | 0.3° |
| C1B | C2B | CMB | H7 | 120.2° | 120.2° |
| C1B | C2B | CMB | H8 | 119.8° | 119.8° |
| C2B | C1B | CHA | H10 | 1.9° | 1.9° |
| C1C | NC | C4C | C3C | 1.8° | 1.8° |
| C1C | NC | CO | NB | 1.3° | 1.3° |
| C1C | NC | C4C | CO | 177.1° | 177.1° |
| C1C | NC | C4C | CHC | 180.0° | 180.0° |
| C1C | NC | CO | NA | 173.5° | 173.5° |
| C1C | NC | CO | ND | 176.9° | 176.9° |
| NC | C1C | CHB | H9 | 178.1° | 178.1° |
| CBB | CGB | O1B | H1 | 178.4° | 178.4° |
| CGB | CBB | H2 | H3 | 121.0° | 121.0° |
| CGB | CBB | CAB | H4 | 142.0° | 142.0° |
| CGB | CBB | CAB | H5 | 22.7° | 22.7° |
| O1B | CGB | CBB | H2 | 2.8° | 2.8° |
| O1B | CGB | CBB | H3 | 117.9° | 117.9° |
| CMC | C3C | C4C | NC | 177.3° | 177.3° |
| CMC | C3C | C4C | CHC | 1.0° | 1.0° |
| C3C | CMC | H30 | H31 | 120.0° | 120.0° |
| C3C | CMC | H30 | H32 | 120.0° | 120.0° |
| C3C | CMC | H31 | H32 | 120.0° | 120.0° |
| C3C | C4C | NC | CHC | 178.2° | 178.2° |
| C3C | C4C | NC | CO | 179.0° | 179.0° |
| C3C | C4C | CHC | C1D | 170.1° | 170.1° |
| C3C | C4C | CHC | H29 | 9.9° | 9.9° |
| C4C | C3C | CMC | H30 | 2.9° | 2.9° |
| C4C | C3C | CMC | H31 | 122.9° | 122.9° |
| C4C | C3C | CMC | H32 | 117.1° | 117.1° |
| CAD | C4D | ND | CO | 74.6° | 74.6° |
| CAD | C4D | C1A | NA | 72.3° | 72.3° |
| CAD | C4D | ND | C1D | 97.8° | 97.8° |
| CAD | C4D | ND | C3D | 110.0° | 110.0° |
| CAD | C4D | ND | C1A | 113.0° | 113.0° |
| CAD | C4D | C3D | C1A | 122.3° | 122.3° |
| CAD | C4D | C3D | C2D | 106.2° | 106.2° |
| CAD | C4D | C3D | C6D | 63.6° | 63.6° |
| CAD | C4D | C1A | C2A | 45.6° | 45.6° |
| CAD | C4D | C1A | CAA | 168.6° | 168.6° |
| C4D | CAD | H20 | H21 | 120.0° | 120.0° |
| C4D | CAD | H20 | H22 | 120.0° | 120.0° |
| C4D | CAD | H21 | H22 | 119.9° | 120.0° |
| C1B | NB | CO | NC | 176.2° | 176.2° |
| NB | C1B | CHA | C4A | 0.7° | 0.7° |
| C1B | NB | CO | NA | 4.0° | 4.0° |
| C1B | NB | CO | ND | 48.3° | 48.3° |
| NB | C1B | CHA | H10 | 179.3° | 179.3° |
| CHA | C1B | NB | CO | 2.4° | 2.4° |
| C1B | CHA | C4A | H10 | 180.0° | 180.0° |
| C1B | CHA | C4A | NA | 0.4° | 0.4° |
| C1B | CHA | C4A | C3A | 176.3° | 176.3° |
| NB | CO | NC | C4C | 174.9° | 174.9° |
| NB | CO | NC | NA | 172.2° | 172.2° |
| NB | CO | NC | ND | 178.3° | 178.3° |
| NB | CO | NA | ND | 178.2° | 178.2° |
| NB | CO | NA | C4A | 5.7° | 5.7° |
| NB | CO | NA | C1A | 169.0° | 169.0° |
| NB | CO | ND | C1D | 131.1° | 131.1° |
| NB | CO | ND | C4D | 37.4° | 37.4° |
| C4C | NC | CO | NA | 2.7° | 2.7° |
| C4C | NC | CO | ND | 6.8° | 6.8° |
| NC | C4C | CHC | C1D | 8.0° | 8.0° |
| NC | C4C | CHC | H29 | 172.0° | 172.0° |
| CO | NC | C4C | CHC | 2.8° | 2.8° |
| NC | CO | NA | ND | 9.5° | 9.5° |
| NC | CO | NA | C4A | 177.9° | 177.9° |
| NC | CO | NA | C1A | 3.2° | 3.2° |
| NC | CO | ND | C1D | 3.2° | 3.2° |
| NC | CO | ND | C4D | 165.3° | 165.3° |
| C4C | CHC | C1D | H29 | 180.0° | 180.0° |
| C4C | CHC | C1D | ND | 11.0° | 11.0° |
| C4C | CHC | C1D | C2D | 172.5° | 172.5° |
| CHA | C4A | NA | CO | 4.0° | 4.0° |
| CHA | C4A | NA | C3A | 177.2° | 177.2° |
| CHA | C4A | NA | C1A | 170.7° | 170.7° |
| CHA | C4A | C3A | C6A | 3.8° | 3.8° |
| CHA | C4A | C3A | C2A | 177.5° | 177.5° |
| CO | NA | C4A | C1A | 174.8° | 174.8° |
| CO | NA | C4A | C3A | 178.7° | 178.7° |
| NA | CO | ND | C1D | 176.5° | 176.5° |
| NA | CO | ND | C4D | 15.0° | 15.0° |
| CO | NA | C1A | C4D | 37.2° | 37.2° |
| CO | NA | C1A | C2A | 173.2° | 173.2° |
| CO | NA | C1A | CAA | 77.6° | 77.6° |
| CO | ND | C1D | CHC | 4.8° | 4.8° |
| ND | CO | NA | C4A | 172.5° | 172.5° |
| ND | CO | NA | C1A | 12.8° | 12.8° |
| CO | ND | C1D | C4D | 168.7° | 168.7° |
| CO | ND | C1D | C2D | 178.1° | 178.1° |
| CO | ND | C4D | C3D | 175.4° | 175.4° |
| CO | ND | C4D | C1A | 38.4° | 38.4° |
| CHC | C1D | ND | C2D | 177.1° | 177.1° |
| CHC | C1D | ND | C4D | 173.4° | 173.4° |
| CHC | C1D | C2D | C3D | 178.4° | 178.4° |
| CHC | C1D | C2D | C5D | 3.6° | 3.6° |
| C4A | NA | C1A | C4D | 146.2° | 146.2° |
| NA | C4A | C3A | C6A | 179.6° | 179.6° |
| NA | C4A | C3A | C2A | 0.8° | 0.8° |
| C4A | NA | C1A | C2A | 10.2° | 10.2° |
| C4A | NA | C1A | CAA | 99.0° | 99.0° |
| NA | C4A | CHA | H10 | 179.6° | 179.6° |
| C3A | C4A | NA | C1A | 6.5° | 6.5° |
| C4A | C3A | C6A | C2A | 178.4° | 178.4° |
| C4A | C3A | C2A | C1A | 7.9° | 7.9° |
| C4A | C3A | C2A | C5A | 178.9° | 178.9° |
| C3A | C4A | CHA | H10 | 3.7° | 3.7° |
| C4A | C3A | C6A | H11 | 180.0° | 180.0° |
| C4A | C3A | C6A | H12 | 60.0° | 60.0° |
| C4A | C3A | C6A | H13 | 60.0° | 60.0° |
| NA | C1A | C4D | ND | 47.1° | 47.1° |
| NA | C1A | C4D | C3D | 165.7° | 165.7° |
| NA | C1A | C4D | C2A | 117.9° | 117.9° |
| NA | C1A | C4D | CAA | 119.1° | 119.1° |
| NA | C1A | C2A | C3A | 11.0° | 11.0° |
| NA | C1A | C2A | CAA | 115.9° | 115.9° |
| NA | C1A | C2A | C5A | 178.4° | 178.4° |
| NA | C1A | CAA | H17 | 180.0° | 180.0° |
| NA | C1A | CAA | H18 | 60.0° | 60.0° |
| NA | C1A | CAA | H19 | 60.0° | 60.0° |
| C1D | ND | C4D | C3D | 12.2° | 12.2° |
| C1D | ND | C4D | C1A | 149.2° | 149.2° |
| ND | C1D | C2D | C3D | 1.9° | 1.9° |
| ND | C1D | C2D | C5D | 180.0° | 180.0° |
| ND | C1D | CHC | H29 | 169.0° | 169.0° |
| C4D | ND | C1D | C2D | 9.5° | 9.5° |
| ND | C4D | C3D | C1A | 120.1° | 120.1° |
| ND | C4D | C3D | C2D | 11.4° | 11.4° |
| ND | C4D | C3D | C6D | 178.8° | 178.8° |
| ND | C4D | C1A | C2A | 165.1° | 165.1° |
| ND | C4D | C1A | CAA | 72.0° | 72.0° |
| ND | C4D | CAD | H20 | 180.0° | 180.0° |
| ND | C4D | CAD | H21 | 60.0° | 60.0° |
| ND | C4D | CAD | H22 | 60.0° | 60.0° |
| C1D | C2D | C3D | C4D | 6.6° | 6.6° |
| C1D | C2D | C3D | C5D | 178.0° | 178.0° |
| C1D | C2D | C3D | C6D | 176.9° | 176.9° |
| C1D | C2D | C5D | H26 | 180.0° | 180.0° |
| C1D | C2D | C5D | H27 | 60.0° | 60.0° |
| C1D | C2D | C5D | H28 | 60.0° | 60.0° |
| C2D | C1D | CHC | H29 | 7.5° | 7.5° |
| C4D | C3D | C2D | C6D | 170.3° | 170.3° |
| C4D | C3D | C2D | C5D | 171.4° | 171.4° |
| C3D | C4D | C1A | C2A | 76.4° | 76.4° |
| C3D | C4D | C1A | CAA | 46.5° | 46.5° |
| C3D | C4D | CAD | H20 | 71.6° | 71.6° |
| C3D | C4D | CAD | H21 | 48.5° | 48.5° |
| C3D | C4D | CAD | H22 | 168.4° | 168.4° |
| C4D | C3D | C6D | H23 | 180.0° | 180.0° |
| C4D | C3D | C6D | H24 | 60.0° | 60.0° |
| C4D | C3D | C6D | H25 | 60.0° | 60.0° |
| C4D | C1A | C2A | C3A | 131.4° | 131.4° |
| C1A | C4D | C3D | C2D | 131.5° | 131.5° |
| C1A | C4D | C3D | C6D | 58.7° | 58.7° |
| C4D | C1A | C2A | CAA | 123.8° | 123.8° |
| C4D | C1A | C2A | C5A | 58.0° | 58.0° |
| C4D | C1A | CAA | H17 | 65.1° | 65.1° |
| C4D | C1A | CAA | H18 | 174.9° | 174.9° |
| C4D | C1A | CAA | H19 | 54.9° | 54.9° |
| C1A | C4D | CAD | H20 | 66.7° | 66.7° |
| C1A | C4D | CAD | H21 | 173.3° | 173.3° |
| C1A | C4D | CAD | H22 | 53.3° | 53.3° |
| C6A | C3A | C2A | C1A | 173.4° | 173.4° |
| C6A | C3A | C2A | C5A | 2.5° | 2.5° |
| C3A | C6A | H11 | H12 | 120.0° | 120.0° |
| C3A | C6A | H11 | H13 | 120.0° | 120.0° |
| C3A | C6A | H12 | H13 | 120.0° | 120.0° |
| C3A | C2A | C1A | C5A | 170.6° | 170.6° |
| C3A | C2A | C1A | CAA | 104.8° | 104.8° |
| C2A | C3A | C6A | H11 | 1.6° | 1.6° |
| C2A | C3A | C6A | H12 | 118.4° | 118.4° |
| C2A | C3A | C6A | H13 | 121.6° | 121.6° |
| C3A | C2A | C5A | H14 | 180.0° | 180.0° |
| C3A | C2A | C5A | H15 | 60.0° | 60.0° |
| C3A | C2A | C5A | H16 | 60.0° | 60.0° |
| C2D | C3D | C6D | H23 | 11.2° | 11.2° |
| C2D | C3D | C6D | H24 | 108.8° | 108.8° |
| C2D | C3D | C6D | H25 | 131.2° | 131.2° |
| C3D | C2D | C5D | H26 | 2.4° | 2.4° |
| C3D | C2D | C5D | H27 | 122.4° | 122.4° |
| C3D | C2D | C5D | H28 | 117.6° | 117.6° |
| C5D | C2D | C3D | C6D | 1.1° | 1.1° |
| C2D | C5D | H26 | H27 | 120.0° | 120.0° |
| C2D | C5D | H26 | H28 | 120.0° | 120.0° |
| C2D | C5D | H27 | H28 | 120.0° | 120.0° |
| C3D | C6D | H23 | H24 | 120.0° | 120.0° |
| C3D | C6D | H23 | H25 | 120.0° | 120.0° |
| C3D | C6D | H24 | H25 | 120.0° | 120.0° |
| C1A | C2A | C5A | H14 | 10.5° | 10.5° |
| C1A | C2A | C5A | H15 | 130.5° | 130.5° |
| C1A | C2A | C5A | H16 | 109.5° | 109.5° |
| C2A | C1A | CAA | H17 | 73.0° | 73.0° |
| C2A | C1A | CAA | H18 | 47.0° | 47.0° |
| C2A | C1A | CAA | H19 | 167.0° | 167.0° |
| CAA | C1A | C2A | C5A | 65.8° | 65.8° |
| C1A | CAA | H17 | H18 | 120.0° | 120.0° |
| C1A | CAA | H17 | H19 | 120.0° | 120.0° |
| C1A | CAA | H18 | H19 | 120.0° | 120.0° |
| C2A | C5A | H14 | H15 | 120.0° | 120.0° |
| C2A | C5A | H14 | H16 | 120.0° | 120.0° |
| C2A | C5A | H15 | H16 | 120.0° | 120.0° |
| H2 | CBB | CAB | H4 | 98.3° | 98.3° |
| H2 | CBB | CAB | H5 | 142.4° | 142.4° |
| H3 | CBB | CAB | H4 | 22.4° | 22.4° |
| H3 | CBB | CAB | H5 | 96.9° | 96.9° |
| H6 | CMB | H7 | H8 | 120.0° | 120.0° |
| H11 | C6A | H12 | H13 | 120.0° | 120.0° |
| H14 | C5A | H15 | H16 | 120.0° | 120.0° |
| H17 | CAA | H18 | H19 | 120.0° | 120.0° |
| H20 | CAD | H21 | H22 | 120.0° | 120.0° |
| H23 | C6D | H24 | H25 | 120.0° | 120.0° |
| H26 | C5D | H27 | H28 | 120.0° | 120.0° |
| H30 | CMC | H31 | H32 | 120.0° | 120.0° |
| H33 | CAC | CBD | H35 | 177.0° | 177.0° |
| H33 | CAC | CBD | H36 | 59.1° | 59.2° |
| H34 | CAC | CBD | H35 | 62.2° | 62.2° |
| H34 | CAC | CBD | H36 | 179.9° | 179.9° |
