FEK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAG | CAD | sing | 1.43Å | 1.47Å | |
| CAD | CAC | sing | 1.53Å | 1.57Å | |
| CAD | CAE | sing | 1.53Å | 1.50Å | |
| FAH | CAE | sing | 1.40Å | 1.49Å | |
| CAC | CAI | sing | 1.50Å | 1.41Å | |
| CAC | OAF | sing | 1.43Å | 1.42Å | |
| CAJ | CAI | sing | 1.51Å | 1.45Å | |
| CAJ | OAK | sing | 1.43Å | 1.49Å | |
| CAI | CAB | doub | 1.29Å | 1.37Å | |
| CAE | CAA | sing | 1.53Å | 1.57Å | |
| CAB | CAA | sing | 1.50Å | 1.44Å | |
| OAF | H1 | sing | 0.97Å | 0.95Å | |
| CAC | H2 | sing | 1.09Å | 1.10Å | |
| CAD | H3 | sing | 1.09Å | 1.10Å | |
| OAG | H4 | sing | 0.97Å | 0.95Å | |
| CAE | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.08Å | 1.08Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| OAK | H11 | sing | 0.97Å | 0.95Å | |
| CAA | O1 | sing | 1.43Å | 1.38Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAG | CAD | CAC | 108.4° | 109.6° |
| OAG | CAD | CAE | 110.9° | 109.7° |
| OAG | CAD | H3 | 110.1° | 109.8° |
| CAD | OAG | H4 | 109.5° | 114.0° |
| CAC | CAD | CAE | 109.0° | 108.4° |
| CAD | CAC | CAI | 110.8° | 110.2° |
| CAD | CAC | OAF | 108.1° | 109.4° |
| CAD | CAC | H2 | 106.8° | 109.3° |
| CAC | CAD | H3 | 108.8° | 109.7° |
| CAD | CAE | FAH | 108.0° | 109.6° |
| CAD | CAE | CAA | 111.6° | 108.4° |
| CAE | CAD | H3 | 109.7° | 109.6° |
| CAD | CAE | H5 | 108.5° | 109.6° |
| FAH | CAE | CAA | 112.5° | 109.7° |
| FAH | CAE | H5 | 108.6° | 109.8° |
| CAI | CAC | OAF | 113.5° | 109.3° |
| CAC | CAI | CAJ | 121.2° | 118.0° |
| CAC | CAI | CAB | 118.5° | 124.0° |
| CAI | CAC | H2 | 108.8° | 109.3° |
| CAC | OAF | H1 | 109.5° | 114.0° |
| OAF | CAC | H2 | 108.7° | 109.3° |
| CAI | CAJ | OAK | 113.4° | 109.5° |
| CAJ | CAI | CAB | 120.3° | 118.0° |
| CAI | CAJ | H9 | 108.5° | 109.5° |
| CAI | CAJ | H10 | 108.5° | 109.4° |
| OAK | CAJ | H9 | 108.5° | 109.5° |
| OAK | CAJ | H10 | 108.5° | 109.4° |
| CAJ | OAK | H11 | 109.5° | 114.0° |
| CAI | CAB | CAA | 121.8° | 124.1° |
| CAI | CAB | H8 | 119.1° | 117.9° |
| CAE | CAA | CAB | 115.6° | 110.1° |
| CAA | CAE | H5 | 107.6° | 109.6° |
| CAE | CAA | H6 | 104.2° | 109.3° |
| CAE | CAA | O1 | 107.1° | 109.4° |
| CAB | CAA | H6 | 105.3° | 109.4° |
| CAA | CAB | H8 | 119.1° | 118.0° |
| CAB | CAA | O1 | 117.3° | 109.3° |
| H6 | CAA | O1 | 106.1° | 109.4° |
| H9 | CAJ | H10 | 109.4° | 109.5° |
| CAA | O1 | H7 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAG | CAD | CAC | CAE | 120.8° | 119.7° |
| OAG | CAD | CAC | H3 | 119.7° | 120.6° |
| OAG | CAD | CAE | H3 | 121.8° | 120.6° |
| OAG | CAD | CAE | FAH | 71.9° | 53.2° |
| OAG | CAD | CAC | CAI | 176.1° | 169.1° |
| OAG | CAD | CAC | OAF | 59.0° | 48.9° |
| OAG | CAD | CAE | CAA | 164.0° | 172.9° |
| OAG | CAD | CAC | H2 | 57.8° | 70.7° |
| OAG | CAD | CAE | H5 | 45.6° | 67.4° |
| CAC | CAD | CAE | H3 | 119.0° | 119.7° |
| CAC | CAD | CAE | FAH | 168.9° | 172.9° |
| CAD | CAC | CAI | OAF | 121.8° | 120.2° |
| CAD | CAC | CAI | H2 | 117.1° | 120.1° |
| CAD | CAC | OAF | H2 | 115.5° | 119.6° |
| CAD | CAC | CAI | CAJ | 146.0° | 162.8° |
| CAD | CAC | CAI | CAB | 33.6° | 17.1° |
| CAC | CAD | CAE | CAA | 44.8° | 67.4° |
| CAD | CAC | OAF | H1 | 180.0° | 179.3° |
| CAC | CAD | OAG | H4 | 180.0° | 180.0° |
| CAC | CAD | CAE | H5 | 73.6° | 52.3° |
| CAD | CAE | FAH | CAA | 123.6° | 119.0° |
| CAD | CAE | FAH | H5 | 117.4° | 120.5° |
| CAE | CAD | CAC | CAI | 63.1° | 49.4° |
| CAE | CAD | CAC | OAF | 61.8° | 70.8° |
| CAD | CAE | CAA | H5 | 118.9° | 119.7° |
| CAD | CAE | CAA | CAB | 2.1° | 49.4° |
| CAE | CAD | CAC | H2 | 178.6° | 169.6° |
| CAE | CAD | OAG | H4 | 60.4° | 61.0° |
| CAD | CAE | CAA | H6 | 112.9° | 70.8° |
| CAD | CAE | CAA | O1 | 135.0° | 169.5° |
| FAH | CAE | CAA | H5 | 119.6° | 120.6° |
| FAH | CAE | CAA | CAB | 123.6° | 169.1° |
| FAH | CAE | CAD | H3 | 49.9° | 67.4° |
| FAH | CAE | CAA | H6 | 8.6° | 48.9° |
| FAH | CAE | CAA | O1 | 103.5° | 70.8° |
| CAI | CAC | OAF | H2 | 121.2° | 119.7° |
| CAC | CAI | CAJ | CAB | 179.6° | 179.9° |
| CAC | CAI | CAJ | OAK | 169.4° | 180.0° |
| CAC | CAI | CAB | CAA | 13.3° | 0.4° |
| CAI | CAC | OAF | H1 | 56.7° | 60.0° |
| CAI | CAC | CAD | H3 | 56.4° | 70.3° |
| CAC | CAI | CAB | H8 | 166.7° | 179.5° |
| CAC | CAI | CAJ | H9 | 70.0° | 60.0° |
| CAC | CAI | CAJ | H10 | 48.8° | 60.0° |
| OAF | CAC | CAI | CAJ | 92.2° | 77.0° |
| OAF | CAC | CAI | CAB | 88.2° | 103.1° |
| OAF | CAC | CAD | H3 | 178.7° | 169.6° |
| CAI | CAJ | OAK | H9 | 120.6° | 120.0° |
| CAI | CAJ | OAK | H10 | 120.6° | 120.0° |
| CAJ | CAI | CAB | CAA | 167.1° | 179.5° |
| CAJ | CAI | CAC | H2 | 28.9° | 42.7° |
| CAJ | CAI | CAB | H8 | 12.9° | 0.6° |
| CAI | CAJ | H9 | H10 | 118.2° | 120.0° |
| CAI | CAJ | OAK | H11 | 180.0° | 180.0° |
| OAK | CAJ | CAI | CAB | 11.0° | 0.1° |
| OAK | CAJ | H9 | H10 | 118.2° | 120.0° |
| CAI | CAB | CAA | CAE | 30.5° | 17.1° |
| CAI | CAB | CAA | H8 | 180.0° | 179.9° |
| CAB | CAI | CAC | H2 | 150.7° | 137.2° |
| CAI | CAB | CAA | H6 | 144.9° | 103.1° |
| CAB | CAI | CAJ | H9 | 109.6° | 120.0° |
| CAB | CAI | CAJ | H10 | 131.6° | 120.0° |
| CAI | CAB | CAA | O1 | 97.3° | 137.2° |
| CAE | CAA | CAB | H6 | 114.4° | 120.2° |
| CAE | CAA | CAB | O1 | 127.9° | 120.2° |
| CAA | CAE | CAD | H3 | 74.2° | 52.3° |
| CAE | CAA | H6 | O1 | 112.9° | 119.7° |
| CAE | CAA | CAB | H8 | 149.4° | 162.9° |
| CAE | CAA | O1 | H7 | 180.0° | 180.0° |
| CAB | CAA | CAE | H5 | 116.8° | 70.3° |
| CAB | CAA | H6 | O1 | 125.1° | 119.6° |
| CAB | CAA | O1 | H7 | 48.1° | 59.4° |
| H1 | OAF | CAC | H2 | 64.5° | 59.6° |
| H2 | CAC | CAD | H3 | 61.9° | 49.9° |
| H3 | CAD | OAG | H4 | 61.2° | 59.5° |
| H3 | CAD | CAE | H5 | 167.4° | 172.0° |
| H5 | CAE | CAA | H6 | 128.2° | 169.5° |
| H5 | CAE | CAA | O1 | 16.1° | 49.8° |
| H6 | CAA | CAB | H8 | 35.1° | 77.0° |
| H6 | CAA | O1 | H7 | 69.2° | 60.3° |
| H8 | CAB | CAA | O1 | 82.7° | 42.7° |
| H9 | CAJ | OAK | H11 | 59.4° | 59.9° |
| H10 | CAJ | OAK | H11 | 59.4° | 60.1° |






