KW8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CAF | sing | 1.54Å | 1.49Å | |
| CAH | CAK | sing | 1.51Å | 1.35Å | |
| CAE | CAC | doub | 1.37Å | 1.41Å | Aromatic |
| CAE | CAN | sing | 1.40Å | 1.36Å | Aromatic |
| CAF | NAI | sing | 1.47Å | 1.47Å | |
| CAC | CAB | sing | 1.39Å | 1.42Å | Aromatic |
| CAK | CAN | sing | 1.45Å | 1.32Å | Aromatic |
| CAK | CAL | doub | 1.35Å | 1.33Å | Aromatic |
| CAN | CAM | doub | 1.42Å | 1.37Å | Aromatic |
| NAI | CAO | sing | 1.47Å | 1.48Å | |
| CAB | CAD | doub | 1.38Å | 1.41Å | Aromatic |
| CAL | CAO | sing | 1.51Å | 1.37Å | |
| CAL | NAJ | sing | 1.37Å | 1.33Å | Aromatic |
| CAM | CAD | sing | 1.39Å | 1.35Å | Aromatic |
| CAM | NAJ | sing | 1.37Å | 1.33Å | Aromatic |
| CAO | CAG | sing | 1.53Å | 1.54Å | |
| CAG | CAA | sing | 1.53Å | 1.55Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAG | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAO | H6 | sing | 1.09Å | 1.10Å | |
| NAJ | H7 | sing | 0.97Å | 1.00Å | |
| CAD | H8 | sing | 1.08Å | 1.08Å | |
| CAB | H9 | sing | 1.08Å | 1.08Å | |
| CAC | H10 | sing | 1.08Å | 1.08Å | |
| CAE | H11 | sing | 1.08Å | 1.08Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| CAH | H13 | sing | 1.09Å | 1.10Å | |
| CAF | H14 | sing | 1.09Å | 1.10Å | |
| CAF | H15 | sing | 1.09Å | 1.10Å | |
| NAI | H16 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAH | CAK | 107.7° | 108.0° |
| CAH | CAF | NAI | 106.7° | 109.7° |
| CAF | CAH | H12 | 109.9° | 109.8° |
| CAF | CAH | H13 | 109.9° | 109.8° |
| CAH | CAF | H14 | 110.1° | 109.5° |
| CAH | CAF | H15 | 110.2° | 109.4° |
| CAH | CAK | CAN | 129.3° | 129.4° |
| CAH | CAK | CAL | 122.1° | 123.5° |
| CAK | CAH | H12 | 109.9° | 109.8° |
| CAK | CAH | H13 | 109.9° | 109.7° |
| CAC | CAE | CAN | 118.2° | 116.9° |
| CAE | CAC | CAB | 118.9° | 122.1° |
| CAE | CAC | H10 | 120.5° | 119.0° |
| CAC | CAE | H11 | 120.9° | 121.5° |
| CAE | CAN | CAK | 130.3° | 132.8° |
| CAE | CAN | CAM | 122.1° | 121.2° |
| CAN | CAE | H11 | 120.9° | 121.6° |
| CAF | NAI | CAO | 113.0° | 111.4° |
| NAI | CAF | H14 | 110.2° | 109.3° |
| NAI | CAF | H15 | 110.2° | 109.4° |
| CAF | NAI | H16 | 108.6° | 111.0° |
| CAC | CAB | CAD | 120.3° | 122.2° |
| CAC | CAB | H9 | 119.9° | 118.9° |
| CAB | CAC | H10 | 120.5° | 118.9° |
| CAN | CAK | CAL | 108.5° | 107.2° |
| CAK | CAN | CAM | 107.5° | 106.0° |
| CAK | CAL | CAO | 123.4° | 123.0° |
| CAK | CAL | NAJ | 108.6° | 109.7° |
| CAN | CAM | CAD | 122.5° | 120.6° |
| CAN | CAM | NAJ | 107.1° | 107.3° |
| NAI | CAO | CAL | 114.0° | 108.7° |
| NAI | CAO | CAG | 111.8° | 109.6° |
| NAI | CAO | H6 | 106.9° | 109.7° |
| CAO | NAI | H16 | 108.6° | 111.3° |
| CAB | CAD | CAM | 117.9° | 116.9° |
| CAB | CAD | H8 | 121.1° | 121.6° |
| CAD | CAB | H9 | 119.8° | 118.8° |
| CAO | CAL | NAJ | 128.0° | 127.3° |
| CAL | CAO | CAG | 109.1° | 109.6° |
| CAL | CAO | H6 | 108.4° | 109.6° |
| CAL | NAJ | CAM | 108.2° | 109.8° |
| CAL | NAJ | H7 | 125.9° | 125.1° |
| CAD | CAM | NAJ | 130.4° | 132.1° |
| CAM | CAD | H8 | 121.0° | 121.5° |
| CAM | NAJ | H7 | 125.9° | 125.1° |
| CAO | CAG | CAA | 104.1° | 109.4° |
| CAO | CAG | H4 | 110.8° | 109.5° |
| CAO | CAG | H5 | 110.8° | 109.5° |
| CAG | CAO | H6 | 106.3° | 109.6° |
| CAG | CAA | H1 | 109.5° | 109.5° |
| CAG | CAA | H2 | 109.5° | 109.5° |
| CAG | CAA | H3 | 109.5° | 109.4° |
| CAA | CAG | H4 | 110.8° | 109.5° |
| CAA | CAG | H5 | 110.8° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAG | H5 | 109.5° | 109.5° |
| H12 | CAH | H13 | 109.5° | 109.8° |
| H14 | CAF | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAH | CAK | H12 | 119.7° | 119.7° |
| CAF | CAH | CAK | H13 | 119.7° | 119.6° |
| CAH | CAF | NAI | H14 | 119.6° | 120.0° |
| CAH | CAF | NAI | H15 | 119.6° | 120.1° |
| CAF | CAH | CAK | CAN | 141.9° | 164.1° |
| CAF | CAH | CAK | CAL | 37.6° | 15.6° |
| CAH | CAF | NAI | CAO | 55.6° | 71.0° |
| CAF | CAH | H12 | H13 | 120.8° | 120.8° |
| CAH | CAF | H14 | H15 | 121.2° | 120.0° |
| CAH | CAF | NAI | H16 | 176.2° | 164.4° |
| CAH | CAK | CAN | CAE | 0.5° | 0.2° |
| CAK | CAH | CAF | NAI | 63.0° | 48.9° |
| CAH | CAK | CAN | CAL | 179.6° | 179.8° |
| CAH | CAK | CAN | CAM | 179.2° | 179.7° |
| CAH | CAK | CAL | CAO | 0.6° | 0.2° |
| CAH | CAK | CAL | NAJ | 178.6° | 179.8° |
| CAK | CAH | H12 | H13 | 120.8° | 120.7° |
| CAK | CAH | CAF | H14 | 56.5° | 71.1° |
| CAK | CAH | CAF | H15 | 177.4° | 168.9° |
| CAC | CAE | CAN | H11 | 180.0° | 180.0° |
| CAE | CAC | CAB | H10 | 180.0° | 180.0° |
| CAC | CAE | CAN | CAK | 180.0° | 180.0° |
| CAC | CAE | CAN | CAM | 0.3° | 0.0° |
| CAE | CAC | CAB | CAD | 0.0° | 0.0° |
| CAE | CAC | CAB | H9 | 179.9° | 180.0° |
| CAN | CAE | CAC | CAB | 0.6° | 0.0° |
| CAE | CAN | CAK | CAM | 179.7° | 180.0° |
| CAE | CAN | CAK | CAL | 179.9° | 179.9° |
| CAE | CAN | CAM | CAD | 0.7° | 0.0° |
| CAE | CAN | CAM | NAJ | 179.3° | 180.0° |
| CAN | CAE | CAC | H10 | 179.4° | 180.0° |
| CAF | NAI | CAO | H16 | 120.5° | 124.4° |
| CAF | NAI | CAO | CAL | 20.6° | 51.3° |
| CAF | NAI | CAO | CAG | 144.9° | 171.1° |
| CAF | NAI | CAO | H6 | 99.2° | 68.5° |
| NAI | CAF | CAH | H12 | 56.7° | 168.5° |
| NAI | CAF | CAH | H13 | 177.2° | 70.7° |
| NAI | CAF | H14 | H15 | 121.3° | 119.9° |
| CAC | CAB | CAD | H9 | 180.0° | 180.0° |
| CAC | CAB | CAD | CAM | 1.0° | 0.0° |
| CAC | CAB | CAD | H8 | 179.0° | 180.0° |
| CAB | CAC | CAE | H11 | 179.4° | 180.0° |
| CAN | CAK | CAL | CAO | 179.0° | 179.9° |
| CAN | CAK | CAL | NAJ | 1.0° | 0.1° |
| CAK | CAN | CAM | CAD | 179.0° | 180.0° |
| CAK | CAN | CAM | NAJ | 0.4° | 0.1° |
| CAK | CAN | CAE | H11 | 0.0° | 0.0° |
| CAN | CAK | CAH | H12 | 98.4° | 44.5° |
| CAN | CAK | CAH | H13 | 22.2° | 76.3° |
| CAL | CAK | CAN | CAM | 0.3° | 0.1° |
| CAK | CAL | CAO | NAI | 9.0° | 16.5° |
| CAK | CAL | CAO | NAJ | 177.5° | 180.0° |
| CAK | CAL | NAJ | CAM | 1.3° | 0.0° |
| CAK | CAL | CAO | CAG | 116.8° | 136.3° |
| CAK | CAL | CAO | H6 | 127.9° | 103.3° |
| CAK | CAL | NAJ | H7 | 178.7° | 179.9° |
| CAL | CAK | CAH | H12 | 82.1° | 135.3° |
| CAL | CAK | CAH | H13 | 157.3° | 103.9° |
| CAN | CAM | CAD | CAB | 1.3° | 0.0° |
| CAN | CAM | NAJ | CAL | 1.1° | 0.0° |
| CAN | CAM | CAD | NAJ | 178.2° | 180.0° |
| CAN | CAM | NAJ | H7 | 178.9° | 180.0° |
| CAN | CAM | CAD | H8 | 178.7° | 180.0° |
| CAM | CAN | CAE | H11 | 179.7° | 180.0° |
| NAI | CAO | CAL | CAG | 125.8° | 119.8° |
| NAI | CAO | CAL | H6 | 118.9° | 119.8° |
| NAI | CAO | CAL | NAJ | 168.6° | 163.4° |
| NAI | CAO | CAG | H6 | 116.3° | 120.4° |
| NAI | CAO | CAG | CAA | 57.5° | 65.4° |
| NAI | CAO | CAG | H4 | 61.7° | 174.6° |
| NAI | CAO | CAG | H5 | 176.6° | 54.6° |
| CAO | NAI | CAF | H14 | 64.0° | 49.0° |
| CAO | NAI | CAF | H15 | 175.2° | 168.9° |
| CAB | CAD | CAM | H8 | 180.0° | 180.0° |
| CAB | CAD | CAM | NAJ | 179.6° | 180.0° |
| CAD | CAB | CAC | H10 | 180.0° | 180.0° |
| CAO | CAL | NAJ | CAM | 179.1° | 180.0° |
| CAL | CAO | CAG | H6 | 116.6° | 120.4° |
| CAL | CAO | CAG | CAA | 175.5° | 175.4° |
| CAL | CAO | CAG | H4 | 65.4° | 55.4° |
| CAL | CAO | CAG | H5 | 56.3° | 64.6° |
| CAO | CAL | NAJ | H7 | 0.8° | 0.1° |
| CAL | CAO | NAI | H16 | 141.1° | 175.7° |
| CAL | NAJ | CAM | CAD | 179.5° | 180.0° |
| CAL | NAJ | CAM | H7 | 180.0° | 180.0° |
| NAJ | CAL | CAO | CAG | 65.7° | 43.7° |
| NAJ | CAL | CAO | H6 | 49.6° | 76.7° |
| CAD | CAM | NAJ | H7 | 0.5° | 0.0° |
| CAM | CAD | CAB | H9 | 179.0° | 180.0° |
| NAJ | CAM | CAD | H8 | 0.5° | 0.1° |
| CAO | CAG | CAA | H4 | 119.1° | 120.0° |
| CAO | CAG | CAA | H5 | 119.1° | 120.0° |
| CAO | CAG | CAA | H1 | 180.0° | 60.0° |
| CAO | CAG | CAA | H2 | 60.0° | 60.0° |
| CAO | CAG | CAA | H3 | 60.0° | 180.0° |
| CAO | CAG | H4 | H5 | 122.5° | 120.0° |
| CAG | CAO | NAI | H16 | 94.6° | 64.5° |
| CAG | CAA | H1 | H2 | 120.0° | 120.0° |
| CAG | CAA | H1 | H3 | 120.0° | 119.9° |
| CAG | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAG | H4 | H5 | 122.5° | 120.0° |
| CAA | CAG | CAO | H6 | 58.9° | 55.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAG | H4 | 60.9° | 59.9° |
| H1 | CAA | CAG | H5 | 60.9° | 180.0° |
| H2 | CAA | CAG | H4 | 179.1° | 180.0° |
| H2 | CAA | CAG | H5 | 59.1° | 59.9° |
| H3 | CAA | CAG | H4 | 59.1° | 60.0° |
| H3 | CAA | CAG | H5 | 179.1° | 60.1° |
| H4 | CAG | CAO | H6 | 178.0° | 65.0° |
| H5 | CAG | CAO | H6 | 60.3° | 175.0° |
| H6 | CAO | NAI | H16 | 21.4° | 55.9° |
| H8 | CAD | CAB | H9 | 1.0° | 0.0° |
| H9 | CAB | CAC | H10 | 0.0° | 0.1° |
| H10 | CAC | CAE | H11 | 0.6° | 0.0° |
| H12 | CAH | CAF | H14 | 176.2° | 48.6° |
| H12 | CAH | CAF | H15 | 62.9° | 71.4° |
| H13 | CAH | CAF | H14 | 63.2° | 169.4° |
| H13 | CAH | CAF | H15 | 57.6° | 49.4° |
| H14 | CAF | NAI | H16 | 56.6° | 75.6° |
| H15 | CAF | NAI | H16 | 64.3° | 44.3° |
