20D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAR | CAO | sing | 1.35Å | 1.36Å | |
| CAO | CAP | doub | 1.39Å | 1.38Å | Aromatic |
| CAO | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAP | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAL | doub | 1.40Å | 1.40Å | Aromatic |
| CAM | CAL | sing | 1.40Å | 1.40Å | Aromatic |
| CAL | CAI | sing | 1.48Å | 1.41Å | |
| CAI | OAH | sing | 1.34Å | 1.36Å | |
| CAI | CAJ | doub | 1.36Å | 1.37Å | |
| OAH | CAE | sing | 1.35Å | 1.36Å | |
| CAJ | CAG | sing | 1.41Å | 1.38Å | |
| CAE | CAD | doub | 1.39Å | 1.37Å | Aromatic |
| CAE | CAF | sing | 1.40Å | 1.40Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAF | sing | 1.48Å | 1.39Å | |
| CAG | OAK | doub | 1.22Å | 1.22Å | |
| CAF | CAA | doub | 1.39Å | 1.39Å | Aromatic |
| CAC | CAB | doub | 1.39Å | 1.40Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAA | H2 | sing | 1.08Å | 1.08Å | |
| CAB | H3 | sing | 1.08Å | 1.08Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å | |
| CAM | H6 | sing | 1.08Å | 1.08Å | |
| CAN | H7 | sing | 1.08Å | 1.08Å | |
| CAP | H8 | sing | 1.08Å | 1.08Å | |
| CAQ | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAR | CAO | CAP | 118.4° | 119.9° |
| FAR | CAO | CAN | 121.2° | 119.9° |
| CAP | CAO | CAN | 120.4° | 120.2° |
| CAO | CAP | CAQ | 120.0° | 120.1° |
| CAO | CAP | H8 | 120.0° | 119.9° |
| CAO | CAN | CAM | 119.7° | 120.2° |
| CAO | CAN | H7 | 120.2° | 119.9° |
| CAP | CAQ | CAL | 120.7° | 119.8° |
| CAQ | CAP | H8 | 120.0° | 119.9° |
| CAP | CAQ | H9 | 119.6° | 120.1° |
| CAN | CAM | CAL | 120.6° | 119.9° |
| CAN | CAM | H6 | 119.7° | 120.1° |
| CAM | CAN | H7 | 120.2° | 119.9° |
| CAQ | CAL | CAM | 118.6° | 119.8° |
| CAQ | CAL | CAI | 118.3° | 120.1° |
| CAL | CAQ | H9 | 119.7° | 120.1° |
| CAM | CAL | CAI | 123.2° | 120.2° |
| CAL | CAM | H6 | 119.7° | 120.1° |
| CAL | CAI | OAH | 115.8° | 118.7° |
| CAL | CAI | CAJ | 122.9° | 118.8° |
| OAH | CAI | CAJ | 120.9° | 122.5° |
| CAI | OAH | CAE | 119.8° | 122.3° |
| CAI | CAJ | CAG | 120.1° | 119.5° |
| CAI | CAJ | H1 | 120.0° | 120.2° |
| OAH | CAE | CAD | 119.0° | 120.8° |
| OAH | CAE | CAF | 119.8° | 119.8° |
| CAJ | CAG | CAF | 118.7° | 117.3° |
| CAJ | CAG | OAK | 118.8° | 121.3° |
| CAG | CAJ | H1 | 120.0° | 120.3° |
| CAD | CAE | CAF | 121.1° | 119.4° |
| CAE | CAD | CAC | 119.5° | 119.9° |
| CAE | CAD | H5 | 120.2° | 120.1° |
| CAE | CAF | CAG | 119.9° | 118.5° |
| CAE | CAF | CAA | 120.1° | 120.2° |
| CAD | CAC | CAB | 120.0° | 120.7° |
| CAD | CAC | H4 | 120.0° | 119.6° |
| CAC | CAD | H5 | 120.3° | 120.0° |
| CAF | CAG | OAK | 122.4° | 121.3° |
| CAG | CAF | CAA | 120.1° | 121.3° |
| CAF | CAA | CAB | 118.9° | 119.6° |
| CAF | CAA | H2 | 120.5° | 120.3° |
| CAC | CAB | CAA | 120.4° | 120.3° |
| CAC | CAB | H3 | 119.8° | 119.9° |
| CAB | CAC | H4 | 120.0° | 119.7° |
| CAB | CAA | H2 | 120.6° | 120.2° |
| CAA | CAB | H3 | 119.8° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAR | CAO | CAP | CAN | 179.3° | 179.7° |
| FAR | CAO | CAP | CAQ | 180.0° | 180.0° |
| FAR | CAO | CAN | CAM | 179.7° | 179.7° |
| FAR | CAO | CAN | H7 | 0.2° | 0.3° |
| FAR | CAO | CAP | H8 | 0.0° | 0.3° |
| CAO | CAP | CAQ | H8 | 180.0° | 179.7° |
| CAP | CAO | CAN | CAM | 1.0° | 0.0° |
| CAO | CAP | CAQ | CAL | 0.4° | 0.6° |
| CAP | CAO | CAN | H7 | 179.0° | 180.0° |
| CAO | CAP | CAQ | H9 | 179.6° | 179.9° |
| CAN | CAO | CAP | CAQ | 0.8° | 0.3° |
| CAO | CAN | CAM | H7 | 180.0° | 180.0° |
| CAO | CAN | CAM | CAL | 0.1° | 0.0° |
| CAO | CAN | CAM | H6 | 179.8° | 180.0° |
| CAN | CAO | CAP | H8 | 179.3° | 179.9° |
| CAP | CAQ | CAL | H9 | 180.0° | 179.5° |
| CAP | CAQ | CAL | CAM | 1.2° | 0.5° |
| CAP | CAQ | CAL | CAI | 179.7° | 179.7° |
| CAN | CAM | CAL | CAQ | 0.9° | 0.2° |
| CAN | CAM | CAL | H6 | 180.0° | 180.0° |
| CAN | CAM | CAL | CAI | 180.0° | 180.0° |
| CAQ | CAL | CAM | CAI | 179.0° | 179.8° |
| CAQ | CAL | CAI | OAH | 1.8° | 179.8° |
| CAQ | CAL | CAI | CAJ | 170.0° | 0.9° |
| CAQ | CAL | CAM | H6 | 179.1° | 179.8° |
| CAL | CAQ | CAP | H8 | 179.6° | 179.7° |
| CAM | CAL | CAI | OAH | 177.2° | 0.0° |
| CAM | CAL | CAI | CAJ | 10.9° | 179.3° |
| CAL | CAM | CAN | H7 | 179.9° | 180.0° |
| CAM | CAL | CAQ | H9 | 178.8° | 180.0° |
| CAL | CAI | OAH | CAJ | 172.1° | 179.3° |
| CAL | CAI | OAH | CAE | 177.8° | 180.0° |
| CAL | CAI | CAJ | CAG | 178.8° | 180.0° |
| CAL | CAI | CAJ | H1 | 1.2° | 0.4° |
| CAI | CAL | CAM | H6 | 0.0° | 0.0° |
| CAI | CAL | CAQ | H9 | 0.3° | 0.2° |
| OAH | CAI | CAJ | CAG | 7.3° | 0.7° |
| CAI | OAH | CAE | CAD | 171.7° | 179.6° |
| CAI | OAH | CAE | CAF | 4.7° | 0.4° |
| OAH | CAI | CAJ | H1 | 172.7° | 179.7° |
| CAJ | CAI | OAH | CAE | 10.1° | 0.7° |
| CAI | CAJ | CAG | H1 | 180.0° | 179.7° |
| CAI | CAJ | CAG | CAF | 0.9° | 0.3° |
| CAI | CAJ | CAG | OAK | 176.8° | 179.7° |
| OAH | CAE | CAD | CAF | 176.3° | 180.0° |
| OAH | CAE | CAD | CAC | 178.0° | 180.0° |
| OAH | CAE | CAF | CAG | 3.4° | 0.1° |
| OAH | CAE | CAF | CAA | 176.9° | 180.0° |
| OAH | CAE | CAD | H5 | 1.9° | 0.0° |
| CAJ | CAG | CAF | CAE | 6.2° | 0.0° |
| CAJ | CAG | CAF | OAK | 177.6° | 180.0° |
| CAJ | CAG | CAF | CAA | 174.2° | 180.0° |
| CAE | CAD | CAC | H5 | 180.0° | 180.0° |
| CAD | CAE | CAF | CAG | 179.8° | 180.0° |
| CAD | CAE | CAF | CAA | 0.6° | 0.0° |
| CAE | CAD | CAC | CAB | 1.9° | 0.0° |
| CAE | CAD | CAC | H4 | 178.1° | 180.0° |
| CAF | CAE | CAD | CAC | 1.7° | 0.0° |
| CAE | CAF | CAG | CAA | 179.6° | 179.9° |
| CAE | CAF | CAG | OAK | 171.5° | 180.0° |
| CAE | CAF | CAA | CAB | 0.3° | 0.0° |
| CAE | CAF | CAA | H2 | 179.7° | 180.0° |
| CAF | CAE | CAD | H5 | 178.3° | 180.0° |
| CAD | CAC | CAB | H4 | 180.0° | 179.9° |
| CAD | CAC | CAB | CAA | 1.0° | 0.0° |
| CAD | CAC | CAB | H3 | 179.0° | 180.0° |
| CAG | CAF | CAA | CAB | 179.4° | 180.0° |
| CAF | CAG | CAJ | H1 | 179.1° | 180.0° |
| CAG | CAF | CAA | H2 | 0.6° | 0.1° |
| OAK | CAG | CAF | CAA | 8.2° | 0.0° |
| OAK | CAG | CAJ | H1 | 3.2° | 0.0° |
| CAF | CAA | CAB | CAC | 0.1° | 0.0° |
| CAF | CAA | CAB | H2 | 180.0° | 179.9° |
| CAF | CAA | CAB | H3 | 179.9° | 180.0° |
| CAC | CAB | CAA | H3 | 180.0° | 180.0° |
| CAC | CAB | CAA | H2 | 179.9° | 180.0° |
| CAB | CAC | CAD | H5 | 178.1° | 180.0° |
| CAA | CAB | CAC | H4 | 179.0° | 180.0° |
| H2 | CAA | CAB | H3 | 0.1° | 0.0° |
| H3 | CAB | CAC | H4 | 1.0° | 0.0° |
| H4 | CAC | CAD | H5 | 1.9° | 0.0° |
| H6 | CAM | CAN | H7 | 0.1° | 0.0° |
| H8 | CAP | CAQ | H9 | 0.4° | 0.2° |
