HJP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAK | CAH | doub | 1.22Å | 1.26Å | |
| OAL | CAI | sing | 1.36Å | 1.35Å | |
| CAH | CAI | sing | 1.47Å | 1.41Å | |
| CAH | CAG | sing | 1.42Å | 1.39Å | |
| CAI | CAD | doub | 1.37Å | 1.41Å | |
| CAG | CAB | doub | 1.35Å | 1.40Å | |
| OAF | CAE | doub | 1.22Å | 1.26Å | |
| CAD | CAE | sing | 1.47Å | 1.40Å | |
| CAD | OAC | sing | 1.34Å | 1.38Å | |
| CAE | OAJ | sing | 1.35Å | 1.24Å | |
| CAB | OAC | sing | 1.33Å | 1.36Å | |
| CAB | CAA | sing | 1.51Å | 1.43Å | |
| OAJ | H1 | sing | 0.97Å | 0.95Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| OAL | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAK | CAH | CAI | 123.7° | 121.2° |
| OAK | CAH | CAG | 120.4° | 121.2° |
| OAL | CAI | CAH | 118.8° | 120.9° |
| OAL | CAI | CAD | 118.2° | 120.9° |
| CAI | OAL | H6 | 109.5° | 114.0° |
| CAI | CAH | CAG | 115.8° | 117.6° |
| CAH | CAI | CAD | 122.6° | 118.2° |
| CAH | CAG | CAB | 120.6° | 119.2° |
| CAH | CAG | H5 | 119.7° | 120.4° |
| CAI | CAD | CAE | 127.7° | 119.8° |
| CAI | CAD | OAC | 119.4° | 120.5° |
| CAG | CAB | OAC | 122.8° | 121.9° |
| CAG | CAB | CAA | 122.6° | 119.1° |
| CAB | CAG | H5 | 119.7° | 120.4° |
| OAF | CAE | CAD | 125.5° | 120.0° |
| OAF | CAE | OAJ | 118.3° | 120.0° |
| CAE | CAD | OAC | 112.8° | 119.8° |
| CAD | CAE | OAJ | 116.1° | 120.0° |
| CAD | OAC | CAB | 118.6° | 122.7° |
| CAE | OAJ | H1 | 109.5° | 117.0° |
| OAC | CAB | CAA | 114.7° | 119.1° |
| CAB | CAA | H2 | 109.5° | 109.5° |
| CAB | CAA | H3 | 109.4° | 109.5° |
| CAB | CAA | H4 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H4 | 109.5° | 109.4° |
| H3 | CAA | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAK | CAH | CAI | OAL | 5.8° | 0.4° |
| OAK | CAH | CAI | CAG | 176.8° | 179.6° |
| OAK | CAH | CAI | CAD | 178.5° | 180.0° |
| OAK | CAH | CAG | CAB | 179.9° | 179.8° |
| OAK | CAH | CAG | H5 | 0.0° | 0.3° |
| OAL | CAI | CAH | CAD | 172.7° | 179.6° |
| OAL | CAI | CAH | CAG | 177.3° | 180.0° |
| OAL | CAI | CAD | CAE | 4.8° | 0.2° |
| OAL | CAI | CAD | OAC | 177.8° | 180.0° |
| CAI | CAH | CAG | CAB | 3.0° | 0.2° |
| CAH | CAI | CAD | CAE | 177.5° | 179.8° |
| CAH | CAI | CAD | OAC | 5.1° | 0.4° |
| CAI | CAH | CAG | H5 | 177.0° | 179.8° |
| CAH | CAI | OAL | H6 | 2.6° | 0.1° |
| CAG | CAH | CAI | CAD | 4.6° | 0.4° |
| CAH | CAG | CAB | H5 | 180.0° | 180.0° |
| CAH | CAG | CAB | OAC | 1.9° | 0.0° |
| CAH | CAG | CAB | CAA | 177.4° | 180.0° |
| CAI | CAD | CAE | OAF | 0.9° | 0.2° |
| CAI | CAD | CAE | OAC | 177.5° | 179.8° |
| CAI | CAD | CAE | OAJ | 177.8° | 179.5° |
| CAI | CAD | OAC | CAB | 3.6° | 0.2° |
| CAD | CAI | OAL | H6 | 175.6° | 179.5° |
| CAG | CAB | OAC | CAD | 2.2° | 0.1° |
| CAG | CAB | OAC | CAA | 179.4° | 179.9° |
| CAG | CAB | CAA | H2 | 179.4° | 180.0° |
| CAG | CAB | CAA | H3 | 60.6° | 60.0° |
| CAG | CAB | CAA | H4 | 59.3° | 60.1° |
| OAF | CAE | CAD | OAJ | 176.8° | 179.8° |
| OAF | CAE | CAD | OAC | 176.6° | 180.0° |
| OAF | CAE | OAJ | H1 | 0.0° | 0.0° |
| CAE | CAD | OAC | CAB | 178.6° | 180.0° |
| CAD | CAE | OAJ | H1 | 177.1° | 179.7° |
| OAC | CAD | CAE | OAJ | 0.2° | 0.2° |
| CAD | OAC | CAB | CAA | 177.2° | 180.0° |
| OAC | CAB | CAA | H2 | 0.0° | 0.1° |
| OAC | CAB | CAA | H3 | 120.0° | 120.0° |
| OAC | CAB | CAA | H4 | 120.0° | 120.0° |
| OAC | CAB | CAG | H5 | 178.1° | 180.0° |
| CAB | CAA | H2 | H3 | 120.0° | 120.0° |
| CAB | CAA | H2 | H4 | 120.0° | 120.0° |
| CAB | CAA | H3 | H4 | 120.0° | 120.0° |
| CAA | CAB | CAG | H5 | 2.6° | 0.1° |
| H2 | CAA | H3 | H4 | 120.0° | 119.9° |
