HLD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAI | doub | 1.21Å | 1.20Å | |
| CAF | CAK | doub | 1.36Å | 1.43Å | |
| CAF | CAM | sing | 1.47Å | 1.44Å | |
| CAI | CAK | sing | 1.48Å | 1.51Å | |
| CAI | OAA | sing | 1.35Å | 1.24Å | |
| OAC | CAM | doub | 1.22Å | 1.24Å | |
| CAK | OAH | sing | 1.34Å | 1.39Å | |
| CAM | CAG | sing | 1.47Å | 1.44Å | |
| OAH | CAL | sing | 1.34Å | 1.42Å | |
| CAG | CAL | doub | 1.36Å | 1.44Å | |
| CAL | CAJ | sing | 1.48Å | 1.49Å | |
| CAJ | OAB | doub | 1.21Å | 1.23Å | |
| CAJ | OAE | sing | 1.35Å | 1.25Å | |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| OAA | H2 | sing | 0.97Å | 0.95Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| OAE | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAI | CAK | 120.1° | 120.0° |
| OAD | CAI | OAA | 117.9° | 120.0° |
| CAK | CAF | CAM | 117.9° | 117.7° |
| CAF | CAK | CAI | 125.6° | 119.1° |
| CAF | CAK | OAH | 119.2° | 121.9° |
| CAK | CAF | H1 | 121.1° | 121.1° |
| CAF | CAM | OAC | 118.7° | 121.9° |
| CAF | CAM | CAG | 122.6° | 116.2° |
| CAM | CAF | H1 | 121.1° | 121.1° |
| CAK | CAI | OAA | 122.0° | 120.0° |
| CAI | CAK | OAH | 115.2° | 119.1° |
| CAI | OAA | H2 | 109.5° | 117.0° |
| OAC | CAM | CAG | 118.7° | 121.9° |
| CAK | OAH | CAL | 124.4° | 121.4° |
| CAM | CAG | CAL | 118.1° | 117.7° |
| CAM | CAG | H3 | 120.9° | 121.1° |
| OAH | CAL | CAG | 117.8° | 122.0° |
| OAH | CAL | CAJ | 118.2° | 119.0° |
| CAG | CAL | CAJ | 124.0° | 119.0° |
| CAL | CAG | H3 | 120.9° | 121.2° |
| CAL | CAJ | OAB | 117.4° | 120.0° |
| CAL | CAJ | OAE | 123.6° | 120.0° |
| OAB | CAJ | OAE | 118.9° | 120.0° |
| CAJ | OAE | H4 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAI | CAK | CAF | 0.2° | 0.1° |
| OAD | CAI | CAK | OAA | 179.9° | 179.9° |
| OAD | CAI | CAK | OAH | 179.7° | 179.9° |
| OAD | CAI | OAA | H2 | 0.0° | 0.1° |
| CAK | CAF | CAM | H1 | 180.0° | 179.9° |
| CAF | CAK | CAI | OAH | 180.0° | 180.0° |
| CAF | CAK | CAI | OAA | 179.7° | 180.0° |
| CAK | CAF | CAM | OAC | 179.6° | 166.6° |
| CAK | CAF | CAM | CAG | 0.7° | 13.2° |
| CAF | CAK | OAH | CAL | 0.1° | 16.0° |
| CAM | CAF | CAK | CAI | 179.7° | 179.1° |
| CAF | CAM | OAC | CAG | 179.8° | 179.8° |
| CAM | CAF | CAK | OAH | 0.4° | 0.8° |
| CAF | CAM | CAG | CAL | 0.6° | 13.1° |
| CAF | CAM | CAG | H3 | 179.3° | 166.9° |
| CAI | CAK | OAH | CAL | 179.9° | 164.0° |
| CAI | CAK | CAF | H1 | 0.4° | 0.9° |
| CAK | CAI | OAA | H2 | 179.9° | 180.0° |
| OAA | CAI | CAK | OAH | 0.4° | 0.0° |
| OAC | CAM | CAG | CAL | 179.6° | 166.6° |
| OAC | CAM | CAF | H1 | 0.4° | 13.3° |
| OAC | CAM | CAG | H3 | 0.4° | 13.3° |
| CAK | OAH | CAL | CAG | 0.1° | 16.0° |
| CAK | OAH | CAL | CAJ | 179.8° | 164.0° |
| OAH | CAK | CAF | H1 | 179.6° | 179.1° |
| CAM | CAG | CAL | OAH | 0.4° | 0.9° |
| CAM | CAG | CAL | H3 | 180.0° | 180.0° |
| CAM | CAG | CAL | CAJ | 179.6° | 179.1° |
| CAG | CAM | CAF | H1 | 179.3° | 166.9° |
| OAH | CAL | CAG | CAJ | 180.0° | 180.0° |
| OAH | CAL | CAJ | OAB | 0.0° | 180.0° |
| OAH | CAL | CAJ | OAE | 179.9° | 0.0° |
| OAH | CAL | CAG | H3 | 179.6° | 179.1° |
| CAG | CAL | CAJ | OAB | 180.0° | 0.0° |
| CAG | CAL | CAJ | OAE | 0.1° | 180.0° |
| CAL | CAJ | OAB | OAE | 179.9° | 180.0° |
| CAJ | CAL | CAG | H3 | 0.4° | 0.9° |
| CAL | CAJ | OAE | H4 | 179.9° | 180.0° |
| OAB | CAJ | OAE | H4 | 0.0° | 0.0° |
