DXL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | OAA | sing | 1.34Å | 1.25Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| CAG | OAB | sing | 1.43Å | 1.44Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAI | OAC | sing | 1.43Å | 1.44Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| OAD | CAJ | sing | 1.34Å | 1.25Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| OAE | CAF | doub | 1.21Å | 1.25Å | |
| CAF | CAG | sing | 1.51Å | 1.53Å | |
| CAH | CAG | sing | 1.53Å | 1.54Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAI | CAH | sing | 1.53Å | 1.54Å | |
| CAH | OAL | sing | 1.43Å | 1.43Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAJ | CAI | sing | 1.51Å | 1.54Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| OAK | CAJ | doub | 1.21Å | 1.25Å | |
| OAL | HOAL | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | OAA | HOAA | 109.5° | 117.0° |
| OAA | CAF | OAE | 126.1° | 120.0° |
| OAA | CAF | CAG | 118.5° | 120.0° |
| CAG | OAB | HOAB | 109.5° | 114.0° |
| OAB | CAG | CAF | 110.4° | 109.4° |
| OAB | CAG | CAH | 109.2° | 109.5° |
| OAB | CAG | HAG | 109.3° | 109.4° |
| CAI | OAC | HOAC | 109.5° | 114.0° |
| OAC | CAI | CAH | 113.3° | 109.5° |
| OAC | CAI | CAJ | 112.9° | 109.4° |
| OAC | CAI | HAI | 105.1° | 109.4° |
| CAJ | OAD | HOAD | 109.5° | 117.0° |
| OAD | CAJ | CAI | 117.0° | 120.0° |
| OAD | CAJ | OAK | 125.3° | 120.0° |
| OAE | CAF | CAG | 115.4° | 120.0° |
| CAF | CAG | CAH | 110.4° | 109.5° |
| CAF | CAG | HAG | 108.1° | 109.5° |
| CAH | CAG | HAG | 109.4° | 109.5° |
| CAG | CAH | CAI | 110.2° | 109.5° |
| CAG | CAH | OAL | 107.4° | 109.5° |
| CAG | CAH | HAH | 111.3° | 109.5° |
| CAI | CAH | OAL | 112.2° | 109.5° |
| CAI | CAH | HAH | 106.4° | 109.5° |
| CAH | CAI | CAJ | 112.0° | 109.5° |
| CAH | CAI | HAI | 106.1° | 109.5° |
| OAL | CAH | HAH | 109.3° | 109.4° |
| CAH | OAL | HOAL | 109.5° | 114.0° |
| CAJ | CAI | HAI | 106.6° | 109.5° |
| CAI | CAJ | OAK | 117.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAF | CAG | OAB | 32.9° | 175.0° |
| OAA | CAF | OAE | CAG | 179.8° | 180.0° |
| OAA | CAF | CAG | CAH | 88.0° | 65.0° |
| OAA | CAF | CAG | HAG | 152.4° | 55.0° |
| HOAA | OAA | CAF | OAE | 0.0° | 0.1° |
| HOAA | OAA | CAF | CAG | 179.8° | 180.0° |
| OAB | CAG | CAF | OAE | 147.3° | 5.0° |
| OAB | CAG | CAF | CAH | 120.9° | 120.0° |
| OAB | CAG | CAF | HAG | 119.5° | 120.0° |
| OAB | CAG | CAH | HAG | 119.6° | 120.0° |
| OAB | CAG | CAH | CAI | 173.3° | 60.0° |
| OAB | CAG | CAH | OAL | 64.1° | 180.0° |
| OAB | CAG | CAH | HAH | 55.5° | 60.0° |
| HOAB | OAB | CAG | CAF | 180.0° | 60.0° |
| HOAB | OAB | CAG | CAH | 58.4° | 60.0° |
| HOAB | OAB | CAG | HAG | 61.2° | 180.0° |
| OAC | CAI | CAJ | OAD | 159.6° | 175.0° |
| OAC | CAI | CAH | CAG | 62.3° | 60.0° |
| OAC | CAI | CAH | CAJ | 129.2° | 120.0° |
| OAC | CAI | CAH | HAI | 114.9° | 120.0° |
| OAC | CAI | CAH | OAL | 57.4° | 180.0° |
| OAC | CAI | CAH | HAH | 176.9° | 60.0° |
| OAC | CAI | CAJ | HAI | 114.9° | 120.0° |
| OAC | CAI | CAJ | OAK | 21.5° | 5.0° |
| HOAC | OAC | CAI | CAH | 138.5° | 60.0° |
| HOAC | OAC | CAI | CAJ | 9.8° | 60.0° |
| HOAC | OAC | CAI | HAI | 106.1° | 180.0° |
| OAD | CAJ | CAI | CAH | 30.2° | 65.0° |
| OAD | CAJ | CAI | OAK | 178.9° | 180.0° |
| OAD | CAJ | CAI | HAI | 85.5° | 55.0° |
| HOAD | OAD | CAJ | CAI | 178.8° | 180.0° |
| HOAD | OAD | CAJ | OAK | 0.0° | 0.1° |
| OAE | CAF | CAG | CAH | 91.8° | 115.0° |
| OAE | CAF | CAG | HAG | 27.8° | 125.0° |
| CAF | CAG | CAH | HAG | 118.8° | 120.0° |
| CAF | CAG | CAH | CAI | 51.7° | 180.0° |
| CAF | CAG | CAH | OAL | 174.3° | 60.0° |
| CAF | CAG | CAH | HAH | 66.2° | 60.0° |
| CAG | CAH | CAI | OAL | 119.7° | 120.0° |
| CAG | CAH | CAI | HAH | 120.8° | 120.0° |
| CAG | CAH | OAL | HAH | 120.8° | 120.0° |
| CAG | CAH | CAI | CAJ | 168.5° | 180.0° |
| CAG | CAH | CAI | HAI | 52.6° | 60.0° |
| CAG | CAH | OAL | HOAL | 180.0° | 60.0° |
| HAG | CAG | CAH | CAI | 67.1° | 60.0° |
| HAG | CAG | CAH | OAL | 55.5° | 60.0° |
| HAG | CAG | CAH | HAH | 175.0° | 180.0° |
| CAI | CAH | OAL | HAH | 117.8° | 120.0° |
| CAH | CAI | CAJ | HAI | 115.7° | 120.0° |
| CAH | CAI | CAJ | OAK | 150.9° | 115.0° |
| CAI | CAH | OAL | HOAL | 58.7° | 60.0° |
| OAL | CAH | CAI | CAJ | 71.8° | 60.0° |
| OAL | CAH | CAI | HAI | 172.3° | 60.0° |
| HAH | CAH | CAI | CAJ | 47.7° | 60.0° |
| HAH | CAH | CAI | HAI | 68.2° | 180.0° |
| HAH | CAH | OAL | HOAL | 59.2° | 180.0° |
| HAI | CAI | CAJ | OAK | 93.4° | 125.0° |
