J1S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1C | CGD | doub | 1.25Å | 1.25Å | |
| O2C | CGD | sing | 1.25Å | 1.25Å | |
| CGD | CBD | sing | 1.53Å | 1.53Å | |
| CBD | CAC | sing | 1.54Å | 1.54Å | |
| CAB | C3B | sing | 1.51Å | 1.51Å | |
| CAB | CBB | sing | 1.53Å | 1.53Å | |
| CAC | C2C | sing | 1.50Å | 1.50Å | |
| O2B | CGB | doub | 1.28Å | 1.28Å | |
| C3B | C4B | sing | 1.38Å | 1.38Å | Aromatic |
| C3B | C2B | doub | 1.38Å | 1.38Å | Aromatic |
| CHB | C4B | doub | 1.47Å | 1.47Å | |
| CHB | C1C | sing | 1.45Å | 1.45Å | |
| C2C | C1C | sing | 1.37Å | 1.37Å | |
| C2C | C3C | doub | 1.38Å | 1.38Å | |
| C4B | NB | sing | 1.34Å | 1.34Å | Aromatic |
| CMB | C2B | sing | 1.50Å | 1.50Å | |
| C1C | NC | doub | 1.35Å | 1.35Å | |
| C2B | C1B | sing | 1.39Å | 1.39Å | Aromatic |
| CBB | CGB | sing | 1.52Å | 1.52Å | |
| CGB | O1B | sing | 1.22Å | 1.22Å | |
| CMC | C3C | sing | 1.52Å | 1.52Å | |
| C3C | C4C | sing | 1.39Å | 1.39Å | |
| NB | C1B | sing | 1.37Å | 1.37Å | Aromatic |
| NB | CO | sing | 1.90Å | 1.90Å | |
| CAA | C1A | sing | 1.52Å | 1.52Å | |
| C1B | CHA | doub | 1.49Å | 1.49Å | |
| NC | C4C | sing | 1.36Å | 1.36Å | |
| NC | CO | sing | 1.90Å | 1.90Å | |
| C4C | CHC | doub | 1.49Å | 1.49Å | |
| CO | NA | sing | 1.85Å | 1.85Å | |
| CO | ND | sing | 1.86Å | 1.86Å | |
| CHA | C4A | sing | 1.45Å | 1.45Å | |
| CHC | C1D | sing | 1.47Å | 1.47Å | |
| NA | C4A | doub | 1.32Å | 1.32Å | |
| NA | C1A | sing | 1.49Å | 1.49Å | |
| C4A | C3A | sing | 1.40Å | 1.40Å | |
| ND | C1D | doub | 1.31Å | 1.31Å | |
| ND | C4D | sing | 1.51Å | 1.51Å | |
| C1D | C2D | sing | 1.41Å | 1.41Å | |
| C1A | C2A | sing | 1.50Å | 1.50Å | |
| C1A | C4D | sing | 1.49Å | 1.49Å | |
| C3A | C6A | sing | 1.50Å | 1.50Å | |
| C3A | C2A | doub | 1.40Å | 1.40Å | |
| C2A | C5A | sing | 1.52Å | 1.52Å | |
| C2D | C5D | sing | 1.50Å | 1.50Å | |
| C2D | C3D | doub | 1.41Å | 1.41Å | |
| C4D | C3D | sing | 1.50Å | 1.50Å | |
| C4D | CAD | sing | 1.56Å | 1.56Å | |
| C3D | C6D | 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 | 120.9° | 120.9° |
| O1C | CGD | CBD | 119.5° | 119.5° |
| O2C | CGD | CBD | 119.6° | 119.6° |
| CGD | O2C | H37 | 109.5° | 109.5° |
| CGD | CBD | CAC | 115.2° | 115.2° |
| CGD | CBD | H35 | 108.0° | 108.0° |
| CGD | CBD | H36 | 108.0° | 108.0° |
| CBD | CAC | C2C | 108.6° | 108.6° |
| CBD | CAC | H33 | 109.7° | 109.7° |
| CBD | CAC | H34 | 109.7° | 109.7° |
| CAC | CBD | H35 | 108.0° | 108.0° |
| CAC | CBD | H36 | 108.0° | 108.0° |
| C3B | CAB | CBB | 110.6° | 110.6° |
| CAB | C3B | C4B | 127.2° | 127.2° |
| CAB | C3B | C2B | 127.8° | 127.8° |
| C3B | CAB | H4 | 109.2° | 109.2° |
| C3B | CAB | H5 | 109.2° | 109.2° |
| CAB | CBB | CGB | 105.5° | 105.5° |
| CAB | CBB | H2 | 110.5° | 110.5° |
| CAB | CBB | H3 | 110.4° | 110.4° |
| CBB | CAB | H4 | 109.2° | 109.2° |
| CBB | CAB | H5 | 109.2° | 109.2° |
| CAC | C2C | C1C | 129.5° | 129.5° |
| CAC | C2C | C3C | 124.8° | 124.8° |
| C2C | CAC | H33 | 109.7° | 109.7° |
| C2C | CAC | H34 | 109.7° | 109.7° |
| O2B | CGB | CBB | 124.5° | 124.5° |
| O2B | CGB | O1B | 124.4° | 124.4° |
| C4B | C3B | C2B | 105.0° | 105.0° |
| C3B | C4B | CHB | 125.8° | 125.8° |
| C3B | C4B | NB | 114.8° | 114.8° |
| C3B | C2B | CMB | 128.0° | 128.0° |
| C3B | C2B | C1B | 105.6° | 105.6° |
| C4B | CHB | C1C | 124.0° | 124.0° |
| CHB | C4B | NB | 119.4° | 119.4° |
| C4B | CHB | H9 | 118.0° | 118.0° |
| CHB | C1C | C2C | 123.2° | 123.2° |
| CHB | C1C | NC | 122.6° | 122.6° |
| C1C | CHB | H9 | 118.0° | 118.0° |
| C1C | C2C | C3C | 105.7° | 105.7° |
| C2C | C1C | NC | 114.2° | 114.2° |
| C2C | C3C | CMC | 125.9° | 125.9° |
| C2C | C3C | C4C | 104.7° | 104.7° |
| C4B | NB | C1B | 101.8° | 101.8° |
| C4B | NB | CO | 132.8° | 132.8° |
| CMB | C2B | C1B | 126.3° | 126.3° |
| C2B | CMB | H6 | 109.5° | 109.5° |
| C2B | CMB | H7 | 109.5° | 109.5° |
| C2B | CMB | H8 | 109.5° | 109.5° |
| C1C | NC | C4C | 101.8° | 101.8° |
| C1C | NC | CO | 129.6° | 129.6° |
| C2B | C1B | NB | 112.7° | 112.7° |
| C2B | C1B | CHA | 120.8° | 120.8° |
| CBB | CGB | O1B | 111.1° | 111.1° |
| CGB | CBB | H2 | 110.5° | 110.5° |
| CGB | CBB | H3 | 110.5° | 110.5° |
| 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° | 109.4° |
| C3C | CMC | H32 | 109.5° | 109.5° |
| C3C | C4C | NC | 113.5° | 113.5° |
| C3C | C4C | CHC | 123.7° | 123.7° |
| C1B | NB | CO | 125.3° | 125.3° |
| NB | C1B | CHA | 126.5° | 126.5° |
| NB | CO | NC | 91.6° | 91.6° |
| NB | CO | NA | 89.7° | 89.7° |
| NB | CO | ND | 178.2° | 178.2° |
| CAA | C1A | NA | 110.4° | 110.4° |
| CAA | C1A | C2A | 104.2° | 104.2° |
| CAA | C1A | C4D | 102.7° | 102.7° |
| C1A | CAA | H17 | 109.5° | 109.5° |
| C1A | CAA | H18 | 109.5° | 109.4° |
| C1A | CAA | H19 | 109.4° | 109.5° |
| C1B | CHA | C4A | 121.4° | 121.4° |
| C1B | CHA | H10 | 119.3° | 119.3° |
| C4C | NC | CO | 128.5° | 128.5° |
| NC | C4C | CHC | 122.7° | 122.7° |
| NC | CO | NA | 178.2° | 178.2° |
| NC | CO | ND | 90.1° | 90.1° |
| C4C | CHC | C1D | 123.7° | 123.7° |
| C4C | CHC | H29 | 118.1° | 118.1° |
| NA | CO | ND | 88.7° | 88.7° |
| CO | NA | C4A | 141.5° | 141.5° |
| CO | NA | C1A | 110.6° | 110.6° |
| CO | ND | C1D | 139.1° | 139.1° |
| CO | ND | C4D | 109.9° | 109.9° |
| CHA | C4A | NA | 114.8° | 114.8° |
| CHA | C4A | C3A | 130.5° | 130.5° |
| C4A | CHA | H10 | 119.3° | 119.3° |
| CHC | C1D | ND | 115.6° | 115.6° |
| CHC | C1D | C2D | 131.5° | 131.5° |
| C1D | CHC | H29 | 118.1° | 118.1° |
| C4A | NA | C1A | 107.6° | 107.6° |
| NA | C4A | C3A | 114.6° | 114.6° |
| NA | C1A | C2A | 102.3° | 102.3° |
| NA | C1A | C4D | 106.9° | 106.9° |
| C4A | C3A | C6A | 124.8° | 124.8° |
| C4A | C3A | C2A | 105.2° | 105.2° |
| C1D | ND | C4D | 110.7° | 110.7° |
| ND | C1D | C2D | 112.8° | 112.8° |
| ND | C4D | C1A | 106.4° | 106.4° |
| ND | C4D | C3D | 98.4° | 98.4° |
| ND | C4D | CAD | 110.7° | 110.7° |
| C1D | C2D | C5D | 125.8° | 125.8° |
| C1D | C2D | C3D | 104.8° | 104.8° |
| C2A | C1A | C4D | 129.7° | 129.7° |
| C1A | C2A | C3A | 109.1° | 109.1° |
| C1A | C2A | C5A | 125.4° | 125.4° |
| C1A | C4D | C3D | 130.9° | 130.9° |
| C1A | C4D | CAD | 105.5° | 105.5° |
| C6A | C3A | C2A | 130.0° | 130.0° |
| C3A | C6A | H11 | 109.5° | 109.5° |
| C3A | C6A | H12 | 109.4° | 109.5° |
| C3A | C6A | H13 | 109.5° | 109.5° |
| C3A | C2A | C5A | 125.0° | 125.0° |
| C2A | C5A | H14 | 109.5° | 109.5° |
| C2A | C5A | H15 | 109.5° | 109.5° |
| C2A | C5A | H16 | 109.5° | 109.5° |
| C5D | C2D | C3D | 129.3° | 129.3° |
| C2D | C5D | H26 | 109.5° | 109.5° |
| C2D | C5D | H27 | 109.4° | 109.4° |
| C2D | C5D | H28 | 109.5° | 109.4° |
| C2D | C3D | C4D | 111.5° | 111.5° |
| C2D | C3D | C6D | 122.1° | 122.1° |
| C3D | C4D | CAD | 104.2° | 104.2° |
| C4D | C3D | C6D | 125.4° | 125.4° |
| C4D | CAD | H20 | 109.5° | 109.5° |
| C4D | CAD | H21 | 109.4° | 109.4° |
| C4D | CAD | H22 | 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° |
| H2 | CBB | H3 | 109.4° | 109.4° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H6 | CMB | H7 | 109.5° | 109.5° |
| H6 | CMB | H8 | 109.4° | 109.4° |
| H7 | CMB | H8 | 109.5° | 109.5° |
| H11 | C6A | H12 | 109.5° | 109.5° |
| H11 | C6A | H13 | 109.5° | 109.5° |
| H12 | C6A | H13 | 109.5° | 109.5° |
| H14 | C5A | H15 | 109.5° | 109.5° |
| H14 | C5A | H16 | 109.4° | 109.4° |
| H15 | C5A | H16 | 109.5° | 109.5° |
| H17 | CAA | H18 | 109.4° | 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 | 109.4° | 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 | 109.4° | 109.4° |
| H26 | C5D | H28 | 109.5° | 109.5° |
| H27 | C5D | H28 | 109.5° | 109.5° |
| H30 | CMC | H31 | 109.5° | 109.5° |
| H30 | CMC | H32 | 109.4° | 109.4° |
| 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 | 176.7° | 176.7° |
| O1C | CGD | CBD | CAC | 103.1° | 103.1° |
| O1C | CGD | CBD | H35 | 136.1° | 136.1° |
| O1C | CGD | CBD | H36 | 17.8° | 17.8° |
| O1C | CGD | O2C | H37 | 0.0° | 0.0° |
| O2C | CGD | CBD | CAC | 80.2° | 80.2° |
| O2C | CGD | CBD | H35 | 40.6° | 40.6° |
| O2C | CGD | CBD | H36 | 159.0° | 159.0° |
| CGD | CBD | CAC | H35 | 120.8° | 120.8° |
| CGD | CBD | CAC | H36 | 120.8° | 120.8° |
| CGD | CBD | CAC | C2C | 179.4° | 179.4° |
| CGD | CBD | CAC | H33 | 60.8° | 60.8° |
| CGD | CBD | CAC | H34 | 59.5° | 59.5° |
| CGD | CBD | H35 | H36 | 117.4° | 117.4° |
| CBD | CGD | O2C | H37 | 176.7° | 176.7° |
| CBD | CAC | C2C | H33 | 119.9° | 119.8° |
| CBD | CAC | C2C | H34 | 119.9° | 119.9° |
| CBD | CAC | C2C | C1C | 82.9° | 82.9° |
| CBD | CAC | C2C | C3C | 93.8° | 93.8° |
| CBD | CAC | H33 | H34 | 120.4° | 120.5° |
| CAC | CBD | H35 | H36 | 117.4° | 117.4° |
| C3B | CAB | CBB | H4 | 120.2° | 120.2° |
| C3B | CAB | CBB | H5 | 120.1° | 120.1° |
| CAB | C3B | C4B | C2B | 179.4° | 179.4° |
| CAB | C3B | C4B | CHB | 1.2° | 1.2° |
| CAB | C3B | C4B | NB | 178.9° | 178.9° |
| CAB | C3B | C2B | CMB | 0.7° | 0.7° |
| CAB | C3B | C2B | C1B | 179.7° | 179.7° |
| C3B | CAB | CBB | CGB | 94.4° | 94.4° |
| C3B | CAB | CBB | H2 | 25.0° | 25.0° |
| C3B | CAB | CBB | H3 | 146.2° | 146.2° |
| C3B | CAB | H4 | H5 | 119.5° | 119.5° |
| CAB | CBB | CGB | O2B | 49.9° | 49.9° |
| CBB | CAB | C3B | C4B | 90.4° | 90.4° |
| CBB | CAB | C3B | C2B | 90.4° | 90.4° |
| CAB | CBB | CGB | H2 | 119.4° | 119.4° |
| CAB | CBB | CGB | H3 | 119.4° | 119.4° |
| CAB | CBB | CGB | O1B | 127.6° | 127.6° |
| CAB | CBB | H2 | H3 | 121.8° | 121.8° |
| CBB | CAB | H4 | H5 | 119.5° | 119.5° |
| CAC | C2C | C1C | CHB | 2.3° | 2.3° |
| CAC | C2C | C1C | C3C | 177.2° | 177.2° |
| CAC | C2C | C1C | NC | 178.4° | 178.4° |
| CAC | C2C | C3C | CMC | 1.7° | 1.7° |
| CAC | C2C | C3C | C4C | 177.2° | 177.2° |
| C2C | CAC | H33 | H34 | 120.4° | 120.4° |
| C2C | CAC | CBD | H35 | 58.5° | 58.5° |
| C2C | CAC | CBD | H36 | 59.8° | 59.8° |
| O2B | CGB | CBB | O1B | 177.5° | 177.5° |
| O2B | CGB | O1B | H1 | 0.0° | 0.0° |
| O2B | CGB | CBB | H2 | 169.3° | 169.3° |
| O2B | CGB | CBB | H3 | 69.5° | 69.5° |
| C3B | C4B | CHB | NB | 179.8° | 179.8° |
| C3B | C4B | CHB | C1C | 176.6° | 176.6° |
| C4B | C3B | C2B | CMB | 180.0° | 180.0° |
| C4B | C3B | C2B | C1B | 0.3° | 0.3° |
| C3B | C4B | NB | C1B | 1.0° | 1.0° |
| C3B | C4B | NB | CO | 177.9° | 177.9° |
| C4B | C3B | CAB | H4 | 149.4° | 149.4° |
| C4B | C3B | CAB | H5 | 29.8° | 29.8° |
| C3B | C4B | CHB | H9 | 3.4° | 3.4° |
| C2B | C3B | C4B | CHB | 179.4° | 179.4° |
| C2B | C3B | C4B | NB | 0.4° | 0.4° |
| C3B | C2B | CMB | C1B | 179.6° | 179.6° |
| C3B | C2B | C1B | NB | 1.0° | 1.0° |
| C3B | C2B | C1B | CHA | 178.3° | 178.3° |
| C2B | C3B | CAB | H4 | 29.8° | 29.8° |
| C2B | C3B | CAB | H5 | 149.5° | 149.5° |
| 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 | 178.0° | 178.0° |
| C4B | CHB | C1C | NC | 1.2° | 1.2° |
| CHB | C4B | NB | C1B | 178.9° | 178.9° |
| CHB | C4B | NB | CO | 2.0° | 2.0° |
| CHB | C1C | C2C | NC | 179.3° | 179.3° |
| CHB | C1C | C2C | C3C | 179.5° | 179.5° |
| C1C | CHB | C4B | NB | 3.2° | 3.2° |
| CHB | C1C | NC | C4C | 178.6° | 178.6° |
| CHB | C1C | NC | CO | 2.3° | 2.3° |
| C1C | C2C | C3C | CMC | 179.1° | 179.1° |
| C1C | C2C | C3C | C4C | 0.2° | 0.2° |
| C2C | C1C | NC | C4C | 2.0° | 2.0° |
| C2C | C1C | NC | CO | 178.4° | 178.4° |
| C2C | C1C | CHB | H9 | 2.0° | 2.0° |
| C1C | C2C | CAC | H33 | 36.9° | 36.9° |
| C1C | C2C | CAC | H34 | 157.2° | 157.2° |
| C3C | C2C | C1C | NC | 1.2° | 1.2° |
| C2C | C3C | CMC | C4C | 178.6° | 178.6° |
| C2C | C3C | C4C | NC | 1.5° | 1.5° |
| C2C | C3C | C4C | CHC | 176.9° | 176.9° |
| 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 | 146.4° | 146.4° |
| C3C | C2C | CAC | H34 | 26.1° | 26.1° |
| C4B | NB | C1B | C2B | 1.2° | 1.2° |
| C4B | NB | C1B | CO | 177.2° | 177.2° |
| C4B | NB | C1B | CHA | 178.1° | 178.1° |
| C4B | NB | CO | NC | 0.6° | 0.6° |
| C4B | NB | CO | NA | 178.1° | 178.1° |
| C4B | NB | CO | ND | 158.4° | 158.4° |
| NB | C4B | CHB | H9 | 176.7° | 176.7° |
| CMB | C2B | C1B | NB | 179.4° | 179.4° |
| CMB | C2B | C1B | CHA | 1.3° | 1.3° |
| C2B | CMB | H6 | H7 | 120.0° | 120.0° |
| C2B | CMB | H6 | H8 | 120.0° | 120.0° |
| C2B | CMB | H7 | H8 | 120.0° | 120.0° |
| C1C | NC | C4C | C3C | 2.2° | 2.2° |
| C1C | NC | CO | NB | 2.8° | 2.8° |
| C1C | NC | C4C | CO | 176.4° | 176.4° |
| C1C | NC | C4C | CHC | 176.3° | 176.3° |
| C1C | NC | CO | NA | 130.7° | 130.7° |
| C1C | NC | CO | ND | 177.9° | 177.9° |
| NC | C1C | CHB | H9 | 178.8° | 178.8° |
| C2B | C1B | NB | CHA | 179.3° | 179.3° |
| C2B | C1B | NB | CO | 178.4° | 178.4° |
| C2B | C1B | CHA | C4A | 172.5° | 172.5° |
| C1B | C2B | CMB | H6 | 0.4° | 0.4° |
| C1B | C2B | CMB | H7 | 120.4° | 120.4° |
| C1B | C2B | CMB | H8 | 119.6° | 119.6° |
| C2B | C1B | CHA | H10 | 7.5° | 7.5° |
| CBB | CGB | O1B | H1 | 177.5° | 177.5° |
| CGB | CBB | H2 | H3 | 121.9° | 121.9° |
| CGB | CBB | CAB | H4 | 145.5° | 145.5° |
| CGB | CBB | CAB | H5 | 25.8° | 25.8° |
| O1B | CGB | CBB | H2 | 8.2° | 8.2° |
| O1B | CGB | CBB | H3 | 113.1° | 113.1° |
| CMC | C3C | C4C | NC | 179.6° | 179.6° |
| CMC | C3C | C4C | CHC | 1.9° | 1.9° |
| 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 | 178.5° | 178.5° |
| C3C | C4C | NC | CO | 178.6° | 178.6° |
| C3C | C4C | CHC | C1D | 179.3° | 179.3° |
| C3C | C4C | CHC | H29 | 0.7° | 0.7° |
| C4C | C3C | CMC | H30 | 1.4° | 1.4° |
| C4C | C3C | CMC | H31 | 121.4° | 121.4° |
| C4C | C3C | CMC | H32 | 118.6° | 118.6° |
| C1B | NB | CO | NC | 175.7° | 175.7° |
| C1B | NB | CO | NA | 5.6° | 5.6° |
| C1B | NB | CO | ND | 17.9° | 17.9° |
| NB | C1B | CHA | C4A | 8.3° | 8.3° |
| NB | C1B | CHA | H10 | 171.7° | 171.7° |
| CO | NB | C1B | CHA | 0.9° | 0.9° |
| NB | CO | NC | C4C | 178.2° | 178.2° |
| NB | CO | NC | NA | 133.5° | 133.5° |
| NB | CO | NC | ND | 179.3° | 179.3° |
| NB | CO | NA | ND | 179.3° | 179.3° |
| NB | CO | NA | C4A | 4.7° | 4.7° |
| NB | CO | NA | C1A | 167.4° | 167.4° |
| NB | CO | ND | C1D | 162.8° | 162.8° |
| NB | CO | ND | C4D | 11.1° | 11.1° |
| CAA | C1A | NA | CO | 75.2° | 75.2° |
| CAA | C1A | NA | C4A | 99.6° | 99.6° |
| CAA | C1A | NA | C2A | 110.4° | 110.4° |
| CAA | C1A | NA | C4D | 111.0° | 111.0° |
| CAA | C1A | C4D | ND | 71.8° | 71.8° |
| CAA | C1A | C2A | C4D | 120.4° | 120.4° |
| CAA | C1A | C2A | C3A | 105.2° | 105.2° |
| CAA | C1A | C2A | C5A | 66.7° | 66.7° |
| CAA | C1A | C4D | C3D | 45.4° | 45.4° |
| CAA | C1A | C4D | CAD | 170.6° | 170.6° |
| C1A | CAA | H17 | H18 | 120.0° | 120.0° |
| C1A | CAA | H17 | H19 | 120.0° | 120.0° |
| C1A | CAA | H18 | H19 | 120.0° | 120.0° |
| C1B | CHA | C4A | H10 | 180.0° | 180.0° |
| C1B | CHA | C4A | NA | 9.3° | 9.3° |
| C1B | CHA | C4A | C3A | 174.0° | 174.0° |
| C4C | NC | CO | NA | 44.7° | 44.7° |
| C4C | NC | CO | ND | 2.4° | 2.4° |
| NC | C4C | CHC | C1D | 2.4° | 2.4° |
| NC | C4C | CHC | H29 | 177.6° | 177.6° |
| CO | NC | C4C | CHC | 0.1° | 0.1° |
| NC | CO | NA | ND | 47.2° | 47.2° |
| NC | CO | NA | C4A | 138.2° | 138.2° |
| NC | CO | NA | C1A | 33.9° | 33.9° |
| NC | CO | ND | C1D | 5.0° | 5.0° |
| NC | CO | ND | C4D | 168.9° | 168.9° |
| C4C | CHC | C1D | H29 | 180.0° | 180.0° |
| C4C | CHC | C1D | ND | 0.7° | 0.7° |
| C4C | CHC | C1D | C2D | 177.1° | 177.1° |
| CO | NA | C4A | CHA | 2.2° | 2.2° |
| CO | NA | C4A | C1A | 172.2° | 172.2° |
| CO | NA | C4A | C3A | 179.4° | 179.4° |
| NA | CO | ND | C1D | 173.7° | 173.7° |
| NA | CO | ND | C4D | 12.4° | 12.4° |
| CO | NA | C1A | C2A | 174.4° | 174.4° |
| CO | NA | C1A | C4D | 35.8° | 35.8° |
| CO | ND | C1D | CHC | 3.9° | 3.9° |
| ND | CO | NA | C4A | 174.6° | 174.6° |
| ND | CO | NA | C1A | 13.3° | 13.3° |
| CO | ND | C1D | C4D | 173.9° | 173.9° |
| CO | ND | C1D | C2D | 177.8° | 177.8° |
| CO | ND | C4D | C1A | 34.8° | 34.8° |
| CO | ND | C4D | C3D | 171.9° | 171.9° |
| CO | ND | C4D | CAD | 79.4° | 79.4° |
| CHA | C4A | NA | C3A | 177.2° | 177.2° |
| CHA | C4A | NA | C1A | 174.4° | 174.4° |
| CHA | C4A | C3A | C6A | 1.8° | 1.8° |
| CHA | C4A | C3A | C2A | 178.5° | 178.5° |
| CHC | C1D | ND | C2D | 178.2° | 178.2° |
| CHC | C1D | ND | C4D | 169.9° | 169.9° |
| CHC | C1D | C2D | C5D | 4.0° | 4.0° |
| CHC | C1D | C2D | C3D | 178.1° | 178.1° |
| C4A | NA | C1A | C2A | 10.8° | 10.8° |
| C4A | NA | C1A | C4D | 149.4° | 149.4° |
| NA | C4A | C3A | C6A | 178.4° | 178.4° |
| NA | C4A | C3A | C2A | 1.9° | 1.9° |
| NA | C4A | CHA | H10 | 170.7° | 170.7° |
| C1A | NA | C4A | C3A | 8.4° | 8.4° |
| NA | C1A | C4D | ND | 44.5° | 44.5° |
| NA | C1A | C2A | C4D | 124.6° | 124.6° |
| NA | C1A | C2A | C3A | 9.9° | 9.9° |
| NA | C1A | C2A | C5A | 178.2° | 178.2° |
| NA | C1A | C4D | C3D | 161.6° | 161.6° |
| NA | C1A | C4D | CAD | 73.2° | 73.2° |
| NA | C1A | CAA | H17 | 180.0° | 180.0° |
| NA | C1A | CAA | H18 | 60.0° | 60.0° |
| NA | C1A | CAA | H19 | 60.0° | 60.0° |
| C4A | C3A | C2A | C1A | 5.5° | 5.5° |
| C4A | C3A | C6A | C2A | 179.6° | 179.6° |
| C4A | C3A | C2A | C5A | 177.5° | 177.5° |
| C3A | C4A | CHA | H10 | 5.9° | 5.9° |
| C4A | C3A | C6A | H11 | 180.0° | 180.0° |
| C4A | C3A | C6A | H12 | 60.0° | 60.0° |
| C4A | C3A | C6A | H13 | 60.0° | 60.0° |
| C1D | ND | C4D | C1A | 149.5° | 149.5° |
| ND | C1D | C2D | C5D | 178.1° | 178.1° |
| ND | C1D | C2D | C3D | 0.2° | 0.2° |
| C1D | ND | C4D | C3D | 12.3° | 12.3° |
| C1D | ND | C4D | CAD | 96.3° | 96.3° |
| ND | C1D | CHC | H29 | 179.3° | 179.3° |
| C4D | ND | C1D | C2D | 8.3° | 8.3° |
| ND | C4D | C1A | C2A | 167.3° | 167.3° |
| ND | C4D | C1A | C3D | 117.1° | 117.1° |
| ND | C4D | C1A | CAD | 117.7° | 117.7° |
| ND | C4D | C3D | C2D | 12.6° | 12.6° |
| ND | C4D | C3D | CAD | 113.9° | 113.9° |
| ND | C4D | C3D | C6D | 178.5° | 178.5° |
| 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 | C5D | C3D | 177.3° | 177.3° |
| C1D | C2D | C3D | C4D | 8.8° | 8.8° |
| C1D | C2D | C3D | C6D | 178.1° | 178.1° |
| 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 | 2.9° | 2.9° |
| C1A | C2A | C3A | C6A | 174.2° | 174.2° |
| C1A | C2A | C3A | C5A | 172.0° | 172.0° |
| C2A | C1A | C4D | C3D | 75.6° | 75.6° |
| C2A | C1A | C4D | CAD | 49.6° | 49.6° |
| C1A | C2A | C5A | H14 | 180.0° | 180.0° |
| C1A | C2A | C5A | H15 | 60.0° | 60.0° |
| C1A | C2A | C5A | H16 | 60.0° | 60.0° |
| C2A | C1A | CAA | H17 | 70.9° | 70.9° |
| C2A | C1A | CAA | H18 | 169.2° | 169.1° |
| C2A | C1A | CAA | H19 | 49.1° | 49.1° |
| C4D | C1A | C2A | C3A | 134.5° | 134.5° |
| C4D | C1A | C2A | C5A | 53.6° | 53.6° |
| C1A | C4D | C3D | C2D | 132.9° | 132.9° |
| C1A | C4D | C3D | CAD | 125.7° | 125.7° |
| C1A | C4D | C3D | C6D | 58.2° | 58.2° |
| C4D | C1A | CAA | H17 | 66.3° | 66.3° |
| C4D | C1A | CAA | H18 | 53.7° | 53.7° |
| C4D | C1A | CAA | H19 | 173.8° | 173.7° |
| C1A | C4D | CAD | H20 | 65.2° | 65.2° |
| C1A | C4D | CAD | H21 | 54.8° | 54.8° |
| C1A | C4D | CAD | H22 | 174.7° | 174.7° |
| C6A | C3A | C2A | C5A | 2.2° | 2.2° |
| C3A | C6A | H11 | H12 | 120.0° | 120.0° |
| C3A | C6A | H11 | H13 | 120.0° | 120.0° |
| C3A | C6A | H12 | H13 | 120.0° | 120.0° |
| C2A | C3A | C6A | H11 | 0.4° | 0.4° |
| C2A | C3A | C6A | H12 | 119.6° | 119.6° |
| C2A | C3A | C6A | H13 | 120.4° | 120.4° |
| C3A | C2A | C5A | H14 | 9.3° | 9.3° |
| C3A | C2A | C5A | H15 | 129.3° | 129.3° |
| C3A | C2A | C5A | H16 | 110.7° | 110.7° |
| C2A | C5A | H14 | H15 | 120.0° | 120.0° |
| C2A | C5A | H14 | H16 | 120.0° | 120.0° |
| C2A | C5A | H15 | H16 | 120.0° | 120.0° |
| C5D | C2D | C3D | C4D | 173.5° | 173.5° |
| C5D | C2D | C3D | C6D | 4.1° | 4.1° |
| C2D | C5D | H26 | H27 | 120.0° | 120.0° |
| C2D | C5D | H26 | H28 | 120.0° | 120.0° |
| C2D | C5D | H27 | H28 | 120.0° | 120.0° |
| C2D | C3D | C4D | C6D | 168.9° | 168.9° |
| C2D | C3D | C4D | CAD | 101.4° | 101.4° |
| C2D | C3D | C6D | H23 | 180.0° | 180.0° |
| C2D | C3D | C6D | H24 | 60.0° | 60.0° |
| C2D | C3D | C6D | H25 | 60.0° | 60.0° |
| C3D | C2D | C5D | H26 | 2.7° | 2.7° |
| C3D | C2D | C5D | H27 | 122.7° | 122.7° |
| C3D | C2D | C5D | H28 | 117.3° | 117.4° |
| C3D | C4D | CAD | H20 | 75.2° | 75.2° |
| C3D | C4D | CAD | H21 | 164.8° | 164.8° |
| C3D | C4D | CAD | H22 | 44.9° | 44.9° |
| C4D | C3D | C6D | H23 | 12.2° | 12.2° |
| C4D | C3D | C6D | H24 | 107.8° | 107.8° |
| C4D | C3D | C6D | H25 | 132.2° | 132.2° |
| CAD | C4D | C3D | C6D | 67.6° | 67.6° |
| C4D | CAD | H20 | H21 | 120.0° | 120.0° |
| C4D | CAD | H20 | H22 | 120.0° | 120.0° |
| C4D | CAD | H21 | H22 | 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° |
| H2 | CBB | CAB | H4 | 95.1° | 95.1° |
| H2 | CBB | CAB | H5 | 145.2° | 145.2° |
| H3 | CBB | CAB | H4 | 26.1° | 26.1° |
| H3 | CBB | CAB | H5 | 93.6° | 93.6° |
| H6 | CMB | H7 | H8 | 119.9° | 119.9° |
| 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 | 178.4° | 178.4° |
| H33 | CAC | CBD | H36 | 60.1° | 60.0° |
| H34 | CAC | CBD | H35 | 61.3° | 61.3° |
| H34 | CAC | CBD | H36 | 179.6° | 179.6° |
