FDK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAJ | sing | 1.43Å | 1.46Å | |
| OAA | CAG | sing | 1.43Å | 1.47Å | |
| CAG | CAH | sing | 1.51Å | 1.45Å | |
| CAH | CAJ | sing | 1.50Å | 1.43Å | |
| CAH | CAF | doub | 1.29Å | 1.40Å | |
| CAJ | CAL | sing | 1.53Å | 1.56Å | |
| CAF | CAI | sing | 1.50Å | 1.47Å | |
| CAK | CAI | sing | 1.53Å | 1.52Å | |
| CAK | CAL | sing | 1.53Å | 1.51Å | |
| CAK | OAD | sing | 1.43Å | 1.47Å | |
| CAI | OAB | sing | 1.43Å | 1.48Å | |
| CAL | OAE | sing | 1.43Å | 1.43Å | |
| OAC | H1 | sing | 0.97Å | 0.95Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| OAE | H4 | sing | 0.97Å | 0.95Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| OAD | H6 | sing | 0.97Å | 0.95Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| OAB | H8 | sing | 0.97Å | 0.95Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| CAG | H11 | sing | 1.09Å | 1.10Å | |
| OAA | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAJ | CAH | 110.5° | 109.4° |
| OAC | CAJ | CAL | 107.4° | 109.4° |
| CAJ | OAC | H1 | 109.5° | 114.0° |
| OAC | CAJ | H2 | 108.6° | 109.3° |
| OAA | CAG | CAH | 115.1° | 109.5° |
| OAA | CAG | H10 | 108.0° | 109.4° |
| OAA | CAG | H11 | 108.1° | 109.4° |
| CAG | OAA | H12 | 109.5° | 114.0° |
| CAG | CAH | CAJ | 117.6° | 118.0° |
| CAG | CAH | CAF | 121.2° | 118.0° |
| CAH | CAG | H10 | 108.1° | 109.5° |
| CAH | CAG | H11 | 108.0° | 109.5° |
| CAJ | CAH | CAF | 121.1° | 124.0° |
| CAH | CAJ | CAL | 114.1° | 110.2° |
| CAH | CAJ | H2 | 109.0° | 109.3° |
| CAH | CAF | CAI | 124.0° | 124.1° |
| CAH | CAF | H9 | 118.0° | 118.0° |
| CAJ | CAL | CAK | 108.0° | 108.4° |
| CAJ | CAL | OAE | 110.4° | 109.6° |
| CAL | CAJ | H2 | 107.2° | 109.4° |
| CAJ | CAL | H3 | 107.6° | 109.6° |
| CAF | CAI | CAK | 111.3° | 110.1° |
| CAF | CAI | OAB | 111.5° | 109.3° |
| CAF | CAI | H7 | 107.8° | 109.3° |
| CAI | CAF | H9 | 118.0° | 117.9° |
| CAI | CAK | CAL | 110.9° | 108.5° |
| CAI | CAK | OAD | 112.5° | 109.7° |
| CAK | CAI | OAB | 111.0° | 109.3° |
| CAI | CAK | H5 | 106.6° | 109.6° |
| CAK | CAI | H7 | 107.2° | 109.4° |
| CAL | CAK | OAD | 112.5° | 109.6° |
| CAK | CAL | OAE | 113.3° | 109.7° |
| CAK | CAL | H3 | 108.2° | 109.8° |
| CAL | CAK | H5 | 106.7° | 109.6° |
| OAD | CAK | H5 | 107.2° | 109.8° |
| CAK | OAD | H6 | 109.5° | 114.0° |
| OAB | CAI | H7 | 107.7° | 109.4° |
| CAI | OAB | H8 | 109.5° | 113.9° |
| OAE | CAL | H3 | 109.2° | 109.6° |
| CAL | OAE | H4 | 109.5° | 114.0° |
| H10 | CAG | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAJ | CAH | CAG | 72.4° | 76.9° |
| OAC | CAJ | CAH | CAL | 121.1° | 120.2° |
| OAC | CAJ | CAH | H2 | 119.2° | 119.6° |
| OAC | CAJ | CAH | CAF | 103.7° | 103.1° |
| OAC | CAJ | CAL | H2 | 116.5° | 119.7° |
| OAC | CAJ | CAL | CAK | 74.8° | 70.8° |
| OAC | CAJ | CAL | OAE | 49.5° | 48.9° |
| OAC | CAJ | CAL | H3 | 168.6° | 169.3° |
| OAA | CAG | CAH | H10 | 120.8° | 120.0° |
| OAA | CAG | CAH | H11 | 120.8° | 120.0° |
| OAA | CAG | CAH | CAJ | 177.8° | 180.0° |
| OAA | CAG | CAH | CAF | 1.7° | 0.0° |
| OAA | CAG | H10 | H11 | 117.5° | 119.9° |
| CAG | CAH | CAJ | CAF | 176.1° | 180.0° |
| CAG | CAH | CAJ | CAL | 166.5° | 162.8° |
| CAG | CAH | CAF | CAI | 176.4° | 179.5° |
| CAG | CAH | CAJ | H2 | 46.8° | 42.7° |
| CAG | CAH | CAF | H9 | 3.6° | 0.5° |
| CAH | CAG | H10 | H11 | 117.4° | 120.1° |
| CAH | CAG | OAA | H12 | 180.0° | 179.9° |
| CAH | CAJ | CAL | H2 | 120.7° | 120.1° |
| CAJ | CAH | CAF | CAI | 0.5° | 0.5° |
| CAH | CAJ | CAL | CAK | 48.0° | 49.4° |
| CAH | CAJ | CAL | OAE | 172.3° | 169.1° |
| CAH | CAJ | OAC | H1 | 180.0° | 59.3° |
| CAH | CAJ | CAL | H3 | 68.6° | 70.5° |
| CAJ | CAH | CAF | H9 | 179.5° | 179.5° |
| CAJ | CAH | CAG | H10 | 57.0° | 60.0° |
| CAJ | CAH | CAG | H11 | 61.4° | 60.0° |
| CAF | CAH | CAJ | CAL | 17.4° | 17.1° |
| CAH | CAF | CAI | H9 | 180.0° | 180.0° |
| CAH | CAF | CAI | CAK | 15.1° | 17.1° |
| CAH | CAF | CAI | OAB | 109.6° | 103.0° |
| CAF | CAH | CAJ | H2 | 137.1° | 137.3° |
| CAH | CAF | CAI | H7 | 132.4° | 137.2° |
| CAF | CAH | CAG | H10 | 119.1° | 120.0° |
| CAF | CAH | CAG | H11 | 122.5° | 120.0° |
| CAJ | CAL | CAK | CAI | 63.3° | 67.4° |
| CAJ | CAL | CAK | OAE | 122.6° | 119.7° |
| CAJ | CAL | CAK | H3 | 116.2° | 119.8° |
| CAJ | CAL | CAK | OAD | 169.7° | 172.9° |
| CAJ | CAL | OAE | H3 | 118.1° | 120.4° |
| CAL | CAJ | OAC | H1 | 55.0° | 180.0° |
| CAJ | CAL | OAE | H4 | 180.0° | 60.0° |
| CAJ | CAL | CAK | H5 | 52.4° | 52.3° |
| CAF | CAI | CAK | OAB | 124.9° | 120.1° |
| CAF | CAI | CAK | H7 | 117.7° | 120.1° |
| CAF | CAI | CAK | CAL | 46.9° | 49.4° |
| CAF | CAI | CAK | OAD | 173.9° | 169.1° |
| CAF | CAI | OAB | H7 | 118.1° | 119.6° |
| CAF | CAI | CAK | H5 | 68.8° | 70.3° |
| CAF | CAI | OAB | H8 | 180.0° | 59.4° |
| CAI | CAK | CAL | OAD | 127.0° | 119.7° |
| CAI | CAK | CAL | H5 | 115.7° | 119.7° |
| CAI | CAK | OAD | H5 | 116.9° | 120.5° |
| CAK | CAI | OAB | H7 | 117.1° | 119.7° |
| CAI | CAK | CAL | OAE | 174.1° | 172.9° |
| CAI | CAK | CAL | H3 | 52.9° | 52.4° |
| CAI | CAK | OAD | H6 | 180.0° | 60.0° |
| CAK | CAI | OAB | H8 | 55.2° | 180.0° |
| CAK | CAI | CAF | H9 | 164.9° | 162.9° |
| CAL | CAK | OAD | H5 | 117.0° | 120.5° |
| CAL | CAK | CAI | OAB | 78.0° | 70.7° |
| CAK | CAL | OAE | H3 | 120.7° | 120.7° |
| CAK | CAL | CAJ | H2 | 168.7° | 169.5° |
| CAK | CAL | OAE | H4 | 58.7° | 179.0° |
| CAL | CAK | OAD | H6 | 53.9° | 179.0° |
| CAL | CAK | CAI | H7 | 164.6° | 169.5° |
| OAD | CAK | CAI | OAB | 49.0° | 49.0° |
| OAD | CAK | CAL | OAE | 47.1° | 53.2° |
| OAD | CAK | CAL | H3 | 74.1° | 67.4° |
| OAD | CAK | CAI | H7 | 68.4° | 70.8° |
| OAB | CAI | CAK | H5 | 166.3° | 169.6° |
| OAB | CAI | CAF | H9 | 70.5° | 77.0° |
| OAE | CAL | CAJ | H2 | 67.0° | 70.8° |
| OAE | CAL | CAK | H5 | 70.2° | 67.4° |
| H1 | OAC | CAJ | H2 | 60.6° | 60.3° |
| H2 | CAJ | CAL | H3 | 52.1° | 49.6° |
| H3 | CAL | OAE | H4 | 61.9° | 60.4° |
| H3 | CAL | CAK | H5 | 168.6° | 172.0° |
| H5 | CAK | OAD | H6 | 63.1° | 60.5° |
| H5 | CAK | CAI | H7 | 48.9° | 49.8° |
| H7 | CAI | OAB | H8 | 61.9° | 60.3° |
| H7 | CAI | CAF | H9 | 47.6° | 42.7° |
| H10 | CAG | OAA | H12 | 59.2° | 60.0° |
| H11 | CAG | OAA | H12 | 59.2° | 59.9° |
