20B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.39Å | Aromatic |
| CAD | CAE | sing | 1.39Å | 1.40Å | Aromatic |
| CAB | CAA | doub | 1.38Å | 1.39Å | Aromatic |
| OAQ | CAG | doub | 1.22Å | 1.25Å | |
| CAE | CAG | sing | 1.48Å | 1.42Å | |
| CAE | CAF | doub | 1.40Å | 1.40Å | Aromatic |
| CAA | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAH | sing | 1.41Å | 1.40Å | |
| CAF | OAJ | sing | 1.35Å | 1.37Å | |
| CAH | CAI | doub | 1.36Å | 1.41Å | |
| OAJ | CAI | sing | 1.34Å | 1.39Å | |
| CAI | CAK | sing | 1.48Å | 1.42Å | |
| CAK | CAM | doub | 1.40Å | 1.40Å | Aromatic |
| CAK | CAN | sing | 1.40Å | 1.40Å | Aromatic |
| CAM | CAL | sing | 1.38Å | 1.41Å | Aromatic |
| CAN | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | OAR | sing | 1.36Å | 1.37Å | |
| CAL | CAP | doub | 1.39Å | 1.40Å | Aromatic |
| CAO | CAP | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| OAR | H2 | sing | 0.97Å | 0.95Å | |
| CAP | H3 | sing | 1.08Å | 1.08Å | |
| CAO | H4 | sing | 1.08Å | 1.08Å | |
| CAN | H5 | sing | 1.08Å | 1.08Å | |
| CAA | H6 | sing | 1.08Å | 1.08Å | |
| CAB | H7 | sing | 1.08Å | 1.08Å | |
| CAC | H8 | sing | 1.08Å | 1.08Å | |
| CAD | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAC | CAB | 120.4° | 120.2° |
| CAC | CAD | CAE | 120.7° | 119.6° |
| CAD | CAC | H8 | 119.8° | 119.9° |
| CAC | CAD | H9 | 119.6° | 120.2° |
| CAC | CAB | CAA | 119.7° | 120.7° |
| CAC | CAB | H7 | 120.2° | 119.6° |
| CAB | CAC | H8 | 119.8° | 119.9° |
| CAD | CAE | CAG | 120.4° | 121.4° |
| CAD | CAE | CAF | 117.6° | 120.2° |
| CAE | CAD | H9 | 119.6° | 120.2° |
| CAB | CAA | CAF | 119.6° | 119.9° |
| CAB | CAA | H6 | 120.2° | 120.1° |
| CAA | CAB | H7 | 120.2° | 119.6° |
| OAQ | CAG | CAE | 121.4° | 121.3° |
| OAQ | CAG | CAH | 120.9° | 121.4° |
| CAG | CAE | CAF | 121.9° | 118.5° |
| CAE | CAG | CAH | 117.7° | 117.4° |
| CAE | CAF | CAA | 121.9° | 119.4° |
| CAE | CAF | OAJ | 118.9° | 119.8° |
| CAA | CAF | OAJ | 119.1° | 120.9° |
| CAF | CAA | H6 | 120.2° | 120.0° |
| CAG | CAH | CAI | 119.4° | 119.5° |
| CAG | CAH | H10 | 120.3° | 120.2° |
| CAF | OAJ | CAI | 120.7° | 122.3° |
| CAH | CAI | OAJ | 121.0° | 122.5° |
| CAH | CAI | CAK | 125.1° | 118.8° |
| CAI | CAH | H10 | 120.3° | 120.2° |
| OAJ | CAI | CAK | 113.8° | 118.7° |
| CAI | CAK | CAM | 123.2° | 120.1° |
| CAI | CAK | CAN | 119.2° | 120.1° |
| CAM | CAK | CAN | 117.6° | 119.8° |
| CAK | CAM | CAL | 121.5° | 119.8° |
| CAK | CAM | H1 | 119.3° | 120.1° |
| CAK | CAN | CAO | 121.3° | 120.0° |
| CAK | CAN | H5 | 119.3° | 120.0° |
| CAM | CAL | OAR | 121.2° | 120.0° |
| CAM | CAL | CAP | 120.0° | 120.1° |
| CAL | CAM | H1 | 119.2° | 120.1° |
| CAN | CAO | CAP | 120.7° | 120.2° |
| CAN | CAO | H4 | 119.6° | 119.9° |
| CAO | CAN | H5 | 119.4° | 120.0° |
| OAR | CAL | CAP | 118.8° | 119.9° |
| CAL | OAR | H2 | 109.5° | 114.0° |
| CAL | CAP | CAO | 118.9° | 120.3° |
| CAL | CAP | H3 | 120.5° | 119.9° |
| CAO | CAP | H3 | 120.5° | 119.8° |
| CAP | CAO | H4 | 119.6° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAC | CAB | H8 | 180.0° | 180.0° |
| CAC | CAD | CAE | H9 | 180.0° | 179.9° |
| CAD | CAC | CAB | CAA | 0.1° | 0.0° |
| CAC | CAD | CAE | CAG | 179.5° | 180.0° |
| CAC | CAD | CAE | CAF | 3.5° | 0.0° |
| CAD | CAC | CAB | H7 | 179.9° | 180.0° |
| CAB | CAC | CAD | CAE | 1.9° | 0.0° |
| CAC | CAB | CAA | H7 | 180.0° | 180.0° |
| CAC | CAB | CAA | CAF | 0.0° | 0.0° |
| CAC | CAB | CAA | H6 | 180.0° | 179.9° |
| CAB | CAC | CAD | H9 | 178.1° | 180.0° |
| CAD | CAE | CAG | OAQ | 8.8° | 0.0° |
| CAD | CAE | CAG | CAF | 175.8° | 180.0° |
| CAD | CAE | CAF | CAA | 3.5° | 0.0° |
| CAD | CAE | CAG | CAH | 170.9° | 179.7° |
| CAD | CAE | CAF | OAJ | 176.0° | 179.9° |
| CAE | CAD | CAC | H8 | 178.1° | 179.9° |
| CAB | CAA | CAF | CAE | 1.8° | 0.0° |
| CAB | CAA | CAF | H6 | 180.0° | 179.9° |
| CAB | CAA | CAF | OAJ | 177.7° | 180.0° |
| CAA | CAB | CAC | H8 | 180.0° | 180.0° |
| OAQ | CAG | CAE | CAH | 179.6° | 179.7° |
| OAQ | CAG | CAE | CAF | 175.4° | 180.0° |
| OAQ | CAG | CAH | CAI | 174.8° | 179.7° |
| OAQ | CAG | CAH | H10 | 5.2° | 0.4° |
| CAG | CAE | CAF | CAA | 179.4° | 180.0° |
| CAG | CAE | CAF | OAJ | 0.1° | 0.0° |
| CAE | CAG | CAH | CAI | 5.6° | 0.6° |
| CAG | CAE | CAD | H9 | 0.5° | 0.1° |
| CAE | CAG | CAH | H10 | 174.5° | 180.0° |
| CAE | CAF | CAA | OAJ | 179.6° | 179.9° |
| CAF | CAE | CAG | CAH | 4.9° | 0.3° |
| CAE | CAF | OAJ | CAI | 4.5° | 0.0° |
| CAE | CAF | CAA | H6 | 178.2° | 179.9° |
| CAF | CAE | CAD | H9 | 176.5° | 179.9° |
| CAA | CAF | OAJ | CAI | 175.1° | 180.0° |
| CAF | CAA | CAB | H7 | 180.0° | 180.0° |
| CAG | CAH | CAI | H10 | 180.0° | 179.4° |
| CAG | CAH | CAI | OAJ | 1.4° | 0.6° |
| CAG | CAH | CAI | CAK | 178.4° | 179.7° |
| CAF | OAJ | CAI | CAH | 3.8° | 0.3° |
| CAF | OAJ | CAI | CAK | 173.5° | 180.0° |
| OAJ | CAF | CAA | H6 | 2.3° | 0.1° |
| CAH | CAI | OAJ | CAK | 177.3° | 179.7° |
| CAH | CAI | CAK | CAM | 13.6° | 179.7° |
| CAH | CAI | CAK | CAN | 167.9° | 0.2° |
| OAJ | CAI | CAK | CAM | 163.6° | 0.0° |
| OAJ | CAI | CAK | CAN | 15.0° | 179.4° |
| OAJ | CAI | CAH | H10 | 178.6° | 180.0° |
| CAI | CAK | CAM | CAN | 178.6° | 179.5° |
| CAI | CAK | CAM | CAL | 178.4° | 180.0° |
| CAI | CAK | CAN | CAO | 178.6° | 180.0° |
| CAI | CAK | CAM | H1 | 1.6° | 0.2° |
| CAI | CAK | CAN | H5 | 1.4° | 0.3° |
| CAK | CAI | CAH | H10 | 1.7° | 0.3° |
| CAK | CAM | CAL | H1 | 180.0° | 179.8° |
| CAM | CAK | CAN | CAO | 0.0° | 0.6° |
| CAK | CAM | CAL | OAR | 178.8° | 179.7° |
| CAK | CAM | CAL | CAP | 0.3° | 0.3° |
| CAM | CAK | CAN | H5 | 180.0° | 179.7° |
| CAN | CAK | CAM | CAL | 0.1° | 0.6° |
| CAK | CAN | CAO | H5 | 180.0° | 179.7° |
| CAK | CAN | CAO | CAP | 0.6° | 0.3° |
| CAN | CAK | CAM | H1 | 179.9° | 179.7° |
| CAK | CAN | CAO | H4 | 179.4° | 179.7° |
| CAM | CAL | OAR | CAP | 178.5° | 180.0° |
| CAM | CAL | CAP | CAO | 0.9° | 0.0° |
| CAM | CAL | OAR | H2 | 180.0° | 90.0° |
| CAM | CAL | CAP | H3 | 179.1° | 180.0° |
| CAN | CAO | CAP | CAL | 1.0° | 0.0° |
| CAN | CAO | CAP | H4 | 180.0° | 179.9° |
| CAN | CAO | CAP | H3 | 179.0° | 180.0° |
| OAR | CAL | CAP | CAO | 179.4° | 180.0° |
| OAR | CAL | CAM | H1 | 1.3° | 0.1° |
| OAR | CAL | CAP | H3 | 0.6° | 0.0° |
| CAL | CAP | CAO | H3 | 180.0° | 180.0° |
| CAP | CAL | CAM | H1 | 179.7° | 179.9° |
| CAP | CAL | OAR | H2 | 1.6° | 90.0° |
| CAL | CAP | CAO | H4 | 179.0° | 179.9° |
| CAP | CAO | CAN | H5 | 179.4° | 180.0° |
| H3 | CAP | CAO | H4 | 1.0° | 0.1° |
| H4 | CAO | CAN | H5 | 0.6° | 0.0° |
| H6 | CAA | CAB | H7 | 0.0° | 0.1° |
| H7 | CAB | CAC | H8 | 0.1° | 0.0° |
| H8 | CAC | CAD | H9 | 1.9° | 0.0° |
