14B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAI | sing | 1.51Å | 1.53Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAJ | CAB | sing | 1.51Å | 1.52Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAK | NAC | sing | 1.39Å | 1.34Å | |
| NAC | HNAC | sing | 0.97Å | 1.00Å | |
| NAC | HNAA | sing | 0.97Å | 1.00Å | |
| CAH | OAD | sing | 1.35Å | 1.26Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| OAE | CAH | doub | 1.22Å | 1.25Å | |
| CAI | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAL | doub | 1.40Å | 1.40Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAL | sing | 1.47Å | 1.55Å | |
| CAK | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAK | sing | 1.40Å | 1.40Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAA | HAA | 109.5° | 109.5° |
| CAI | CAA | HAAA | 109.4° | 109.5° |
| CAI | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAI | CAF | 119.3° | 119.8° |
| CAA | CAI | CAG | 121.3° | 119.8° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| CAJ | CAB | HAB | 109.5° | 109.5° |
| CAJ | CAB | HABA | 109.4° | 109.5° |
| CAJ | CAB | HABB | 109.5° | 109.4° |
| CAB | CAJ | CAF | 119.5° | 120.0° |
| CAB | CAJ | CAK | 120.5° | 120.0° |
| HAB | CAB | HABA | 109.5° | 109.5° |
| HAB | CAB | HABB | 109.4° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| CAK | NAC | HNAC | 109.5° | 120.0° |
| CAK | NAC | HNAA | 109.5° | 120.0° |
| NAC | CAK | CAJ | 118.8° | 120.2° |
| NAC | CAK | CAL | 121.4° | 120.1° |
| HNAC | NAC | HNAA | 109.5° | 120.0° |
| CAH | OAD | HOAD | 109.5° | 117.0° |
| OAD | CAH | OAE | 124.0° | 120.0° |
| OAD | CAH | CAL | 119.3° | 120.0° |
| OAE | CAH | CAL | 116.6° | 120.0° |
| CAI | CAF | CAJ | 120.7° | 120.4° |
| CAI | CAF | HAF | 119.6° | 119.8° |
| CAF | CAI | CAG | 119.4° | 120.4° |
| CAJ | CAF | HAF | 119.7° | 119.8° |
| CAF | CAJ | CAK | 120.0° | 120.0° |
| CAI | CAG | CAL | 119.9° | 119.9° |
| CAI | CAG | HAG | 120.0° | 120.0° |
| CAL | CAG | HAG | 120.0° | 120.1° |
| CAG | CAL | CAH | 118.8° | 120.2° |
| CAG | CAL | CAK | 120.1° | 119.5° |
| CAH | CAL | CAK | 121.0° | 120.2° |
| CAJ | CAK | CAL | 119.8° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAA | HAA | HAAA | 120.0° | 120.1° |
| CAI | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAI | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAI | CAF | CAG | 179.3° | 179.9° |
| CAA | CAI | CAF | CAJ | 179.1° | 180.0° |
| CAA | CAI | CAF | HAF | 0.9° | 0.4° |
| CAA | CAI | CAG | CAL | 179.9° | 179.4° |
| CAA | CAI | CAG | HAG | 0.1° | 0.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 119.9° |
| HAA | CAA | CAI | CAF | 89.7° | 90.0° |
| HAA | CAA | CAI | CAG | 89.7° | 90.0° |
| HAAA | CAA | CAI | CAF | 150.3° | 30.1° |
| HAAA | CAA | CAI | CAG | 30.3° | 150.0° |
| HAAB | CAA | CAI | CAF | 30.3° | 150.1° |
| HAAB | CAA | CAI | CAG | 150.3° | 30.0° |
| CAJ | CAB | HAB | HABA | 120.0° | 120.0° |
| CAJ | CAB | HAB | HABB | 120.0° | 120.0° |
| CAJ | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CAJ | CAK | NAC | 0.4° | 0.0° |
| CAB | CAJ | CAF | CAI | 179.9° | 179.7° |
| CAB | CAJ | CAF | CAK | 179.6° | 180.0° |
| CAB | CAJ | CAF | HAF | 0.1° | 0.1° |
| CAB | CAJ | CAK | CAL | 179.3° | 179.9° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAB | CAB | CAJ | CAF | 89.8° | 90.0° |
| HAB | CAB | CAJ | CAK | 89.8° | 90.0° |
| HABA | CAB | CAJ | CAF | 150.2° | 150.0° |
| HABA | CAB | CAJ | CAK | 30.2° | 30.0° |
| HABB | CAB | CAJ | CAF | 30.2° | 30.0° |
| HABB | CAB | CAJ | CAK | 150.2° | 150.0° |
| CAK | NAC | HNAC | HNAA | 120.0° | 179.9° |
| NAC | CAK | CAJ | CAF | 179.9° | 180.0° |
| NAC | CAK | CAL | CAG | 179.1° | 179.4° |
| NAC | CAK | CAL | CAH | 1.1° | 0.3° |
| NAC | CAK | CAJ | CAL | 179.7° | 180.0° |
| HNAC | NAC | CAK | CAJ | 180.0° | 5.5° |
| HNAC | NAC | CAK | CAL | 0.3° | 174.5° |
| HNAA | NAC | CAK | CAJ | 60.0° | 174.6° |
| HNAA | NAC | CAK | CAL | 120.3° | 5.4° |
| OAD | CAH | OAE | CAL | 178.0° | 180.0° |
| OAD | CAH | CAL | CAG | 166.7° | 5.9° |
| OAD | CAH | CAL | CAK | 15.4° | 173.2° |
| HOAD | OAD | CAH | OAE | 0.0° | 0.0° |
| HOAD | OAD | CAH | CAL | 178.0° | 180.0° |
| OAE | CAH | CAL | CAG | 15.2° | 174.1° |
| OAE | CAH | CAL | CAK | 162.7° | 6.7° |
| CAI | CAF | CAJ | HAF | 180.0° | 179.7° |
| CAF | CAI | CAG | CAL | 0.8° | 0.5° |
| CAF | CAI | CAG | HAG | 179.2° | 180.0° |
| CAI | CAF | CAJ | CAK | 0.5° | 0.3° |
| CAJ | CAF | CAI | CAG | 0.2° | 0.0° |
| CAF | CAJ | CAK | CAL | 0.3° | 0.0° |
| HAF | CAF | CAI | CAG | 179.8° | 179.7° |
| HAF | CAF | CAJ | CAK | 179.5° | 179.9° |
| CAI | CAG | CAL | HAG | 180.0° | 179.4° |
| CAI | CAG | CAL | CAH | 179.5° | 180.0° |
| CAI | CAG | CAL | CAK | 1.5° | 0.8° |
| CAG | CAL | CAH | CAK | 178.0° | 179.2° |
| CAG | CAL | CAK | CAJ | 1.3° | 0.6° |
| HAG | CAG | CAL | CAH | 0.5° | 0.6° |
| HAG | CAG | CAL | CAK | 178.4° | 179.7° |
| CAH | CAL | CAK | CAJ | 179.2° | 179.8° |
