MJ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAL | sing | 1.51Å | 1.53Å | |
| OAB | CAM | sing | 1.36Å | 1.35Å | |
| CAC | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAN | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAH | CAI | doub | 1.38Å | 1.38Å | Aromatic |
| CAH | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAM | sing | 1.39Å | 1.40Å | Aromatic |
| OAK | CAN | sing | 1.36Å | 1.36Å | |
| OAK | CAO | sing | 1.36Å | 1.37Å | |
| CAM | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAL | CAH | 119.7° | 119.9° |
| CAA | CAL | CAJ | 120.5° | 119.9° |
| CAL | CAA | HAA | 109.5° | 109.4° |
| CAL | CAA | HAAA | 109.4° | 109.5° |
| CAL | CAA | HAAB | 109.5° | 109.5° |
| OAB | CAM | CAJ | 121.7° | 120.1° |
| OAB | CAM | CAO | 116.3° | 120.1° |
| CAM | OAB | HOAB | 109.5° | 114.0° |
| CAD | CAC | CAE | 118.2° | 120.1° |
| CAC | CAD | CAF | 121.0° | 120.1° |
| CAD | CAC | HAC | 120.9° | 120.0° |
| CAC | CAD | HAD | 119.5° | 120.0° |
| CAC | CAE | CAG | 121.1° | 120.0° |
| CAE | CAC | HAC | 120.9° | 119.9° |
| CAC | CAE | HAE | 119.4° | 120.0° |
| CAD | CAF | CAN | 120.5° | 119.9° |
| CAF | CAD | HAD | 119.5° | 119.9° |
| CAD | CAF | HAF | 119.8° | 120.1° |
| CAE | CAG | CAN | 119.9° | 120.0° |
| CAG | CAE | HAE | 119.4° | 120.0° |
| CAE | CAG | HAG | 120.1° | 120.0° |
| CAF | CAN | CAG | 119.2° | 119.8° |
| CAF | CAN | OAK | 122.2° | 120.1° |
| CAN | CAF | HAF | 119.7° | 119.9° |
| CAG | CAN | OAK | 118.6° | 120.1° |
| CAN | CAG | HAG | 120.1° | 120.0° |
| CAI | CAH | CAL | 120.8° | 120.1° |
| CAH | CAI | CAO | 120.0° | 120.0° |
| CAI | CAH | HAH | 119.6° | 120.0° |
| CAH | CAI | HAI | 120.0° | 119.9° |
| CAH | CAL | CAJ | 119.9° | 120.2° |
| CAL | CAH | HAH | 119.6° | 119.9° |
| CAI | CAO | OAK | 121.9° | 120.0° |
| CAI | CAO | CAM | 118.8° | 119.8° |
| CAO | CAI | HAI | 120.0° | 120.1° |
| CAL | CAJ | CAM | 118.3° | 120.0° |
| CAL | CAJ | HAJ | 120.8° | 120.0° |
| CAJ | CAM | CAO | 121.9° | 119.9° |
| CAM | CAJ | HAJ | 120.8° | 120.0° |
| CAN | OAK | CAO | 119.5° | 118.0° |
| OAK | CAO | CAM | 119.0° | 120.1° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAL | CAH | CAI | 176.9° | 180.0° |
| CAA | CAL | CAH | CAJ | 179.7° | 179.9° |
| CAA | CAL | CAJ | CAM | 178.5° | 180.0° |
| CAL | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAL | CAA | HAA | HAAB | 120.0° | 119.9° |
| CAL | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAL | CAH | HAH | 3.1° | 0.2° |
| CAA | CAL | CAJ | HAJ | 1.6° | 0.1° |
| OAB | CAM | CAO | CAI | 178.3° | 179.9° |
| OAB | CAM | CAJ | CAL | 179.2° | 180.0° |
| OAB | CAM | CAJ | CAO | 176.4° | 179.9° |
| OAB | CAM | CAO | OAK | 3.9° | 0.0° |
| OAB | CAM | CAJ | HAJ | 0.7° | 0.1° |
| CAD | CAC | CAE | HAC | 180.0° | 179.8° |
| CAC | CAD | CAF | HAD | 180.0° | 180.0° |
| CAD | CAC | CAE | CAG | 2.0° | 0.0° |
| CAC | CAD | CAF | CAN | 1.5° | 0.0° |
| CAD | CAC | CAE | HAE | 178.1° | 180.0° |
| CAC | CAD | CAF | HAF | 178.5° | 180.0° |
| CAE | CAC | CAD | CAF | 0.3° | 0.1° |
| CAC | CAE | CAG | HAE | 180.0° | 180.0° |
| CAC | CAE | CAG | CAN | 3.1° | 0.0° |
| CAE | CAC | CAD | HAD | 179.7° | 180.0° |
| CAC | CAE | CAG | HAG | 176.8° | 179.9° |
| CAD | CAF | CAN | HAF | 180.0° | 180.0° |
| CAD | CAF | CAN | CAG | 0.3° | 0.0° |
| CAD | CAF | CAN | OAK | 178.5° | 180.0° |
| CAF | CAD | CAC | HAC | 179.7° | 179.7° |
| CAE | CAG | CAN | CAF | 2.0° | 0.0° |
| CAE | CAG | CAN | HAG | 180.0° | 180.0° |
| CAE | CAG | CAN | OAK | 179.2° | 180.0° |
| CAG | CAE | CAC | HAC | 178.0° | 179.7° |
| CAF | CAN | CAG | OAK | 178.9° | 180.0° |
| CAF | CAN | OAK | CAO | 3.6° | 67.7° |
| CAN | CAF | CAD | HAD | 178.5° | 180.0° |
| CAF | CAN | CAG | HAG | 178.0° | 180.0° |
| CAG | CAN | OAK | CAO | 177.6° | 112.3° |
| CAN | CAG | CAE | HAE | 176.9° | 180.0° |
| CAG | CAN | CAF | HAF | 179.7° | 180.0° |
| CAI | CAH | CAL | HAH | 180.0° | 179.8° |
| CAH | CAI | CAO | HAI | 180.0° | 180.0° |
| CAI | CAH | CAL | CAJ | 3.4° | 0.1° |
| CAH | CAI | CAO | OAK | 179.3° | 179.9° |
| CAH | CAI | CAO | CAM | 6.5° | 0.0° |
| CAL | CAH | CAI | CAO | 5.7° | 0.1° |
| CAH | CAL | CAJ | CAM | 1.9° | 0.1° |
| CAH | CAL | CAA | HAA | 89.8° | 90.0° |
| CAH | CAL | CAA | HAAA | 150.2° | 150.0° |
| CAH | CAL | CAA | HAAB | 30.2° | 29.9° |
| CAL | CAH | CAI | HAI | 174.3° | 179.9° |
| CAH | CAL | CAJ | HAJ | 178.1° | 179.9° |
| CAI | CAO | CAM | CAJ | 5.1° | 0.0° |
| CAI | CAO | OAK | CAN | 100.6° | 6.1° |
| CAI | CAO | OAK | CAM | 174.2° | 179.9° |
| CAO | CAI | CAH | HAH | 174.3° | 179.7° |
| CAL | CAJ | CAM | HAJ | 180.0° | 179.9° |
| CAL | CAJ | CAM | CAO | 2.8° | 0.1° |
| CAJ | CAL | CAA | HAA | 89.9° | 90.1° |
| CAJ | CAL | CAA | HAAA | 30.2° | 29.9° |
| CAJ | CAL | CAA | HAAB | 150.2° | 150.0° |
| CAJ | CAL | CAH | HAH | 176.6° | 179.7° |
| CAJ | CAM | CAO | OAK | 179.5° | 179.9° |
| CAJ | CAM | OAB | HOAB | 180.0° | 90.1° |
| CAN | OAK | CAO | CAM | 85.2° | 173.8° |
| OAK | CAN | CAF | HAF | 1.5° | 0.0° |
| OAK | CAN | CAG | HAG | 0.9° | 0.1° |
| OAK | CAO | CAI | HAI | 0.7° | 0.1° |
| CAO | CAM | OAB | HOAB | 3.3° | 90.0° |
| CAM | CAO | CAI | HAI | 173.5° | 180.0° |
| CAO | CAM | CAJ | HAJ | 177.2° | 180.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAC | CAC | CAD | HAD | 0.3° | 0.3° |
| HAC | CAC | CAE | HAE | 2.0° | 0.2° |
| HAD | CAD | CAF | HAF | 1.5° | 0.0° |
| HAE | CAE | CAG | HAG | 3.1° | 0.0° |
| HAH | CAH | CAI | HAI | 5.7° | 0.3° |
