9O6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAL | CAI | doub | 1.21Å | 1.25Å | |
| OAM | CAI | sing | 1.34Å | 1.25Å | |
| CAI | CAH | sing | 1.51Å | 1.56Å | |
| CAH | OAJ | sing | 1.43Å | 1.41Å | |
| CAH | CAG | sing | 1.53Å | 1.52Å | |
| FAK | CAG | sing | 1.40Å | 1.32Å | |
| CAG | CAE | sing | 1.51Å | 1.42Å | |
| CAD | CAE | doub | 1.38Å | 1.42Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.41Å | Aromatic |
| CAC | CAB | doub | 1.38Å | 1.44Å | Aromatic |
| CAF | CAA | doub | 1.38Å | 1.41Å | Aromatic |
| CAB | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAB | H2 | sing | 1.08Å | 1.08Å | |
| CAC | H3 | sing | 1.08Å | 1.08Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.09Å | 1.10Å | |
| OAJ | H8 | sing | 0.97Å | 0.95Å | |
| OAM | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAL | CAI | OAM | 124.3° | 120.0° |
| OAL | CAI | CAH | 117.1° | 120.0° |
| OAM | CAI | CAH | 118.6° | 120.0° |
| CAI | OAM | H9 | 109.5° | 117.0° |
| CAI | CAH | OAJ | 109.6° | 109.4° |
| CAI | CAH | CAG | 111.6° | 109.5° |
| CAI | CAH | H7 | 109.5° | 109.5° |
| OAJ | CAH | CAG | 104.3° | 109.5° |
| OAJ | CAH | H7 | 111.7° | 109.5° |
| CAH | OAJ | H8 | 109.5° | 114.0° |
| CAH | CAG | FAK | 108.0° | 109.5° |
| CAH | CAG | CAE | 111.7° | 109.5° |
| CAH | CAG | H6 | 107.3° | 109.5° |
| CAG | CAH | H7 | 110.0° | 109.5° |
| FAK | CAG | CAE | 111.1° | 109.5° |
| FAK | CAG | H6 | 110.1° | 109.5° |
| CAG | CAE | CAD | 120.7° | 120.0° |
| CAG | CAE | CAF | 119.0° | 120.0° |
| CAE | CAG | H6 | 108.6° | 109.4° |
| CAE | CAD | CAC | 120.0° | 120.0° |
| CAD | CAE | CAF | 120.3° | 120.0° |
| CAE | CAD | H4 | 120.0° | 120.0° |
| CAD | CAC | CAB | 117.6° | 120.0° |
| CAD | CAC | H3 | 121.2° | 120.0° |
| CAC | CAD | H4 | 120.0° | 120.0° |
| CAE | CAF | CAA | 121.3° | 120.0° |
| CAE | CAF | H5 | 119.4° | 120.0° |
| CAC | CAB | CAA | 123.2° | 120.0° |
| CAC | CAB | H2 | 118.4° | 120.0° |
| CAB | CAC | H3 | 121.2° | 120.0° |
| CAF | CAA | CAB | 117.6° | 120.0° |
| CAF | CAA | H1 | 121.2° | 120.0° |
| CAA | CAF | H5 | 119.4° | 120.0° |
| CAB | CAA | H1 | 121.2° | 120.0° |
| CAA | CAB | H2 | 118.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAL | CAI | OAM | CAH | 178.1° | 179.9° |
| OAL | CAI | CAH | OAJ | 156.1° | 5.0° |
| OAL | CAI | CAH | CAG | 88.9° | 115.0° |
| OAL | CAI | CAH | H7 | 33.1° | 125.0° |
| OAL | CAI | OAM | H9 | 0.0° | 0.1° |
| OAM | CAI | CAH | OAJ | 22.1° | 175.0° |
| OAM | CAI | CAH | CAG | 92.9° | 65.0° |
| OAM | CAI | CAH | H7 | 145.1° | 55.1° |
| CAI | CAH | OAJ | CAG | 119.6° | 120.0° |
| CAI | CAH | OAJ | H7 | 121.6° | 120.0° |
| CAI | CAH | CAG | H7 | 121.8° | 120.0° |
| CAI | CAH | CAG | FAK | 54.4° | 65.0° |
| CAI | CAH | CAG | CAE | 176.8° | 175.0° |
| CAI | CAH | CAG | H6 | 64.2° | 55.0° |
| CAI | CAH | OAJ | H8 | 180.0° | 60.1° |
| CAH | CAI | OAM | H9 | 178.1° | 180.0° |
| OAJ | CAH | CAG | H7 | 120.0° | 120.0° |
| OAJ | CAH | CAG | FAK | 172.6° | 175.0° |
| OAJ | CAH | CAG | CAE | 65.0° | 55.0° |
| OAJ | CAH | CAG | H6 | 54.0° | 65.0° |
| CAH | CAG | FAK | CAE | 122.8° | 120.0° |
| CAH | CAG | FAK | H6 | 116.9° | 120.0° |
| CAH | CAG | CAE | H6 | 118.2° | 120.0° |
| CAH | CAG | CAE | CAD | 41.6° | 115.0° |
| CAH | CAG | CAE | CAF | 140.2° | 64.8° |
| CAG | CAH | OAJ | H8 | 60.4° | 59.9° |
| FAK | CAG | CAE | H6 | 121.2° | 120.0° |
| FAK | CAG | CAE | CAD | 79.0° | 125.0° |
| FAK | CAG | CAE | CAF | 99.1° | 55.2° |
| FAK | CAG | CAH | H7 | 67.4° | 55.0° |
| CAG | CAE | CAD | CAF | 178.2° | 179.8° |
| CAG | CAE | CAD | CAC | 179.4° | 180.0° |
| CAG | CAE | CAF | CAA | 178.7° | 179.7° |
| CAG | CAE | CAD | H4 | 0.6° | 0.2° |
| CAG | CAE | CAF | H5 | 1.4° | 0.2° |
| CAE | CAG | CAH | H7 | 55.0° | 65.0° |
| CAE | CAD | CAC | H4 | 180.0° | 179.7° |
| CAE | CAD | CAC | CAB | 1.9° | 0.0° |
| CAD | CAE | CAF | CAA | 0.5° | 0.5° |
| CAE | CAD | CAC | H3 | 178.1° | 180.0° |
| CAD | CAE | CAF | H5 | 179.6° | 180.0° |
| CAD | CAE | CAG | H6 | 159.8° | 4.9° |
| CAC | CAD | CAE | CAF | 1.2° | 0.2° |
| CAD | CAC | CAB | H3 | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 1.9° | 0.0° |
| CAD | CAC | CAB | H2 | 178.1° | 180.0° |
| CAE | CAF | CAA | H5 | 180.0° | 179.5° |
| CAE | CAF | CAA | CAB | 0.4° | 0.6° |
| CAE | CAF | CAA | H1 | 179.6° | 179.8° |
| CAF | CAE | CAD | H4 | 178.8° | 179.9° |
| CAF | CAE | CAG | H6 | 22.0° | 175.2° |
| CAC | CAB | CAA | CAF | 1.2° | 0.3° |
| CAC | CAB | CAA | H2 | 180.0° | 179.9° |
| CAC | CAB | CAA | H1 | 178.8° | 180.0° |
| CAB | CAC | CAD | H4 | 178.1° | 179.7° |
| CAF | CAA | CAB | H1 | 180.0° | 179.7° |
| CAF | CAA | CAB | H2 | 178.8° | 179.7° |
| CAA | CAB | CAC | H3 | 178.1° | 179.9° |
| CAB | CAA | CAF | H5 | 179.6° | 179.9° |
| H1 | CAA | CAB | H2 | 1.2° | 0.1° |
| H1 | CAA | CAF | H5 | 0.4° | 0.3° |
| H2 | CAB | CAC | H3 | 1.9° | 0.0° |
| H3 | CAC | CAD | H4 | 1.8° | 0.2° |
| H6 | CAG | CAH | H7 | 174.0° | 175.0° |
| H7 | CAH | OAJ | H8 | 58.4° | 180.0° |
