14F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | OAH | sing | 1.43Å | 1.46Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | HAAB | sing | 1.09Å | 1.10Å | |
OAI | CAB | sing | 1.43Å | 1.50Å | |
CAB | HAB | sing | 1.09Å | 1.10Å | |
CAB | HABA | sing | 1.09Å | 1.10Å | |
CAB | HABB | sing | 1.09Å | 1.10Å | |
NAC | CAK | sing | 1.39Å | 1.32Å | |
NAC | HNAC | sing | 0.97Å | 1.00Å | |
NAC | HNAA | sing | 0.97Å | 1.00Å | |
CAJ | OAD | sing | 1.35Å | 1.26Å | |
OAD | HOAD | sing | 0.97Å | 0.95Å | |
OAE | CAJ | doub | 1.22Å | 1.25Å | |
CAK | CAF | doub | 1.39Å | 1.38Å | Aromatic |
CAF | CAL | sing | 1.38Å | 1.41Å | Aromatic |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAN | CAG | doub | 1.40Å | 1.36Å | Aromatic |
CAG | CAM | sing | 1.38Å | 1.38Å | Aromatic |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAL | OAH | sing | 1.36Å | 1.37Å | |
CAM | OAI | sing | 1.36Å | 1.32Å | |
CAJ | CAN | sing | 1.47Å | 1.47Å | |
CAK | CAN | sing | 1.41Å | 1.41Å | Aromatic |
CAL | CAM | doub | 1.40Å | 1.41Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAH | CAA | HAA | 109.5° | 109.5° |
OAH | CAA | HAAA | 109.5° | 109.5° |
OAH | CAA | HAAB | 109.5° | 109.5° |
CAA | OAH | CAL | 124.5° | 117.0° |
HAA | CAA | HAAA | 109.4° | 109.4° |
HAA | CAA | HAAB | 109.5° | 109.4° |
HAAA | CAA | HAAB | 109.5° | 109.5° |
OAI | CAB | HAB | 109.5° | 109.5° |
OAI | CAB | HABA | 109.4° | 109.5° |
OAI | CAB | HABB | 109.5° | 109.5° |
CAB | OAI | CAM | 108.0° | 117.0° |
HAB | CAB | HABA | 109.4° | 109.5° |
HAB | CAB | HABB | 109.5° | 109.4° |
HABA | CAB | HABB | 109.5° | 109.5° |
CAK | NAC | HNAC | 109.5° | 120.0° |
CAK | NAC | HNAA | 109.4° | 120.0° |
NAC | CAK | CAF | 120.1° | 120.1° |
NAC | CAK | CAN | 120.3° | 120.1° |
HNAC | NAC | HNAA | 109.5° | 120.0° |
CAJ | OAD | HOAD | 109.5° | 117.0° |
OAD | CAJ | OAE | 126.3° | 120.0° |
OAD | CAJ | CAN | 118.2° | 120.0° |
OAE | CAJ | CAN | 115.4° | 120.0° |
CAK | CAF | CAL | 120.2° | 120.1° |
CAK | CAF | HAF | 119.9° | 119.9° |
CAF | CAK | CAN | 119.5° | 119.8° |
CAL | CAF | HAF | 119.9° | 120.0° |
CAF | CAL | OAH | 123.7° | 119.9° |
CAF | CAL | CAM | 117.4° | 120.3° |
CAN | CAG | CAM | 118.4° | 119.9° |
CAN | CAG | HAG | 120.8° | 120.1° |
CAG | CAN | CAJ | 115.4° | 120.1° |
CAG | CAN | CAK | 121.7° | 119.7° |
CAM | CAG | HAG | 120.8° | 120.0° |
CAG | CAM | OAI | 114.4° | 119.9° |
CAG | CAM | CAL | 122.6° | 120.2° |
OAH | CAL | CAM | 119.0° | 119.8° |
OAI | CAM | CAL | 122.9° | 119.9° |
CAJ | CAN | CAK | 122.8° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAH | CAA | HAA | HAAA | 120.0° | 120.0° |
OAH | CAA | HAA | HAAB | 120.0° | 120.0° |
OAH | CAA | HAAA | HAAB | 120.0° | 120.0° |
CAA | OAH | CAL | CAF | 19.5° | 0.0° |
CAA | OAH | CAL | CAM | 160.4° | 180.0° |
HAA | CAA | HAAA | HAAB | 120.0° | 119.9° |
HAA | CAA | OAH | CAL | 180.0° | 60.0° |
HAAA | CAA | OAH | CAL | 60.0° | 60.0° |
HAAB | CAA | OAH | CAL | 60.0° | 180.0° |
OAI | CAB | HAB | HABA | 120.0° | 120.0° |
OAI | CAB | HAB | HABB | 120.0° | 120.0° |
OAI | CAB | HABA | HABB | 120.0° | 120.1° |
CAB | OAI | CAM | CAG | 7.6° | 0.0° |
CAB | OAI | CAM | CAL | 168.8° | 179.5° |
HAB | CAB | HABA | HABB | 120.0° | 119.9° |
HAB | CAB | OAI | CAM | 180.0° | 180.0° |
HABA | CAB | OAI | CAM | 60.0° | 60.0° |
HABB | CAB | OAI | CAM | 60.0° | 60.0° |
CAK | NAC | HNAC | HNAA | 120.0° | 180.0° |
NAC | CAK | CAF | CAN | 179.4° | 179.9° |
NAC | CAK | CAF | CAL | 179.0° | 180.0° |
NAC | CAK | CAF | HAF | 1.0° | 0.3° |
NAC | CAK | CAN | CAG | 178.1° | 179.5° |
NAC | CAK | CAN | CAJ | 1.9° | 0.1° |
HNAC | NAC | CAK | CAF | 180.0° | 5.4° |
HNAC | NAC | CAK | CAN | 0.6° | 174.5° |
HNAA | NAC | CAK | CAF | 60.0° | 174.5° |
HNAA | NAC | CAK | CAN | 120.6° | 5.5° |
OAD | CAJ | OAE | CAN | 179.7° | 179.9° |
OAD | CAJ | CAN | CAG | 0.1° | 6.0° |
OAD | CAJ | CAN | CAK | 176.5° | 173.5° |
HOAD | OAD | CAJ | OAE | 0.0° | 0.1° |
HOAD | OAD | CAJ | CAN | 179.6° | 180.0° |
OAE | CAJ | CAN | CAG | 179.6° | 174.0° |
OAE | CAJ | CAN | CAK | 3.2° | 6.4° |
CAK | CAF | CAL | HAF | 180.0° | 179.8° |
CAF | CAK | CAN | CAG | 2.5° | 0.5° |
CAK | CAF | CAL | OAH | 179.1° | 179.8° |
CAF | CAK | CAN | CAJ | 178.7° | 180.0° |
CAK | CAF | CAL | CAM | 0.8° | 0.2° |
CAF | CAL | CAM | CAG | 1.8° | 0.0° |
CAF | CAL | OAH | CAM | 179.9° | 180.0° |
CAF | CAL | CAM | OAI | 177.9° | 179.5° |
CAL | CAF | CAK | CAN | 0.4° | 0.0° |
HAF | CAF | CAL | OAH | 0.8° | 0.0° |
HAF | CAF | CAK | CAN | 179.6° | 179.8° |
HAF | CAF | CAL | CAM | 179.3° | 180.0° |
CAN | CAG | CAM | HAG | 180.0° | 179.5° |
CAN | CAG | CAM | OAI | 178.9° | 180.0° |
CAG | CAN | CAJ | CAK | 176.4° | 179.6° |
CAN | CAG | CAM | CAL | 4.7° | 0.5° |
CAG | CAM | CAL | OAH | 178.3° | 180.0° |
CAG | CAM | OAI | CAL | 176.4° | 179.5° |
CAM | CAG | CAN | CAJ | 178.5° | 179.7° |
CAM | CAG | CAN | CAK | 5.0° | 0.7° |
HAG | CAG | CAM | OAI | 1.1° | 0.5° |
HAG | CAG | CAN | CAJ | 1.5° | 0.2° |
HAG | CAG | CAN | CAK | 174.9° | 179.8° |
HAG | CAG | CAM | CAL | 175.3° | 180.0° |
OAH | CAL | CAM | OAI | 2.2° | 0.5° |