SHL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAH | doub | 1.21Å | 1.26Å | |
| CAH | OAA | sing | 1.35Å | 1.26Å | |
| CAH | CAK | sing | 1.48Å | 1.44Å | |
| CAE | CAK | doub | 1.36Å | 1.34Å | |
| CAE | CAI | sing | 1.42Å | 1.35Å | |
| CAK | OAG | sing | 1.34Å | 1.43Å | |
| OAB | CAI | doub | 1.22Å | 1.34Å | |
| CAI | CAJ | sing | 1.42Å | 1.37Å | |
| OAG | CAF | sing | 1.34Å | 1.39Å | |
| CAJ | CAF | doub | 1.35Å | 1.35Å | |
| CAJ | OAC | sing | 1.36Å | 1.34Å | |
| CAF | CAL | sing | 1.51Å | 1.35Å | |
| OAA | H1 | sing | 0.97Å | 0.95Å | |
| CAL | H2 | sing | 1.09Å | 1.10Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| OAC | H5 | sing | 0.97Å | 0.95Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAH | OAA | 121.6° | 120.0° |
| OAD | CAH | CAK | 121.3° | 120.0° |
| OAA | CAH | CAK | 117.1° | 120.0° |
| CAH | OAA | H1 | 109.5° | 117.0° |
| CAH | CAK | CAE | 123.6° | 119.6° |
| CAH | CAK | OAG | 116.2° | 119.5° |
| CAK | CAE | CAI | 118.8° | 118.9° |
| CAE | CAK | OAG | 120.1° | 120.9° |
| CAK | CAE | H6 | 120.6° | 120.6° |
| CAE | CAI | OAB | 118.3° | 120.9° |
| CAE | CAI | CAJ | 122.3° | 118.2° |
| CAI | CAE | H6 | 120.6° | 120.6° |
| CAK | OAG | CAF | 119.7° | 122.0° |
| OAB | CAI | CAJ | 119.4° | 120.9° |
| CAI | CAJ | CAF | 121.3° | 119.0° |
| CAI | CAJ | OAC | 119.0° | 120.5° |
| OAG | CAF | CAJ | 117.6° | 121.0° |
| OAG | CAF | CAL | 117.2° | 119.5° |
| CAF | CAJ | OAC | 119.7° | 120.5° |
| CAJ | CAF | CAL | 125.1° | 119.5° |
| CAJ | OAC | H5 | 109.5° | 114.1° |
| CAF | CAL | H2 | 109.5° | 109.5° |
| CAF | CAL | H3 | 109.5° | 109.5° |
| CAF | CAL | H4 | 109.5° | 109.5° |
| H2 | CAL | H3 | 109.4° | 109.4° |
| H2 | CAL | H4 | 109.5° | 109.5° |
| H3 | CAL | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAH | OAA | CAK | 178.6° | 179.7° |
| OAD | CAH | CAK | CAE | 7.2° | 0.3° |
| OAD | CAH | CAK | OAG | 173.8° | 180.0° |
| OAD | CAH | OAA | H1 | 0.0° | 0.1° |
| OAA | CAH | CAK | CAE | 171.4° | 179.4° |
| OAA | CAH | CAK | OAG | 7.6° | 0.3° |
| CAH | CAK | CAE | OAG | 179.0° | 179.7° |
| CAH | CAK | CAE | CAI | 173.9° | 179.8° |
| CAH | CAK | OAG | CAF | 175.5° | 179.9° |
| CAK | CAH | OAA | H1 | 178.6° | 179.8° |
| CAH | CAK | CAE | H6 | 6.1° | 0.1° |
| CAK | CAE | CAI | H6 | 180.0° | 179.7° |
| CAK | CAE | CAI | OAB | 177.5° | 179.8° |
| CAK | CAE | CAI | CAJ | 3.6° | 0.6° |
| CAE | CAK | OAG | CAF | 3.5° | 0.2° |
| CAI | CAE | CAK | OAG | 5.1° | 0.5° |
| CAE | CAI | OAB | CAJ | 179.0° | 179.7° |
| CAE | CAI | CAJ | CAF | 0.2° | 0.3° |
| CAE | CAI | CAJ | OAC | 179.1° | 179.7° |
| CAK | OAG | CAF | CAJ | 0.2° | 0.0° |
| CAK | OAG | CAF | CAL | 176.4° | 180.0° |
| OAG | CAK | CAE | H6 | 174.9° | 179.8° |
| OAB | CAI | CAJ | CAF | 179.2° | 180.0° |
| OAB | CAI | CAJ | OAC | 0.1° | 0.1° |
| OAB | CAI | CAE | H6 | 2.5° | 0.1° |
| CAI | CAJ | CAF | OAG | 1.4° | 0.0° |
| CAI | CAJ | CAF | OAC | 179.3° | 180.0° |
| CAI | CAJ | CAF | CAL | 177.7° | 180.0° |
| CAI | CAJ | OAC | H5 | 0.0° | 0.1° |
| CAJ | CAI | CAE | H6 | 176.4° | 179.8° |
| OAG | CAF | CAJ | CAL | 176.3° | 180.0° |
| OAG | CAF | CAJ | OAC | 179.3° | 180.0° |
| OAG | CAF | CAL | H2 | 0.0° | 0.0° |
| OAG | CAF | CAL | H3 | 120.0° | 120.0° |
| OAG | CAF | CAL | H4 | 120.0° | 120.0° |
| CAJ | CAF | CAL | H2 | 176.3° | 180.0° |
| CAJ | CAF | CAL | H3 | 63.7° | 60.0° |
| CAJ | CAF | CAL | H4 | 56.3° | 60.0° |
| CAF | CAJ | OAC | H5 | 179.2° | 180.0° |
| OAC | CAJ | CAF | CAL | 3.0° | 0.0° |
| CAF | CAL | H2 | H3 | 120.0° | 120.0° |
| CAF | CAL | H2 | H4 | 120.0° | 120.1° |
| CAF | CAL | H3 | H4 | 120.0° | 120.0° |
| H2 | CAL | H3 | H4 | 120.0° | 120.0° |
