VGF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAN | CAS | sing | 1.38Å | 1.39Å | Aromatic |
CAN | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
CAS | CLAC | sing | 1.74Å | 1.75Å | |
CAS | CAR | doub | 1.38Å | 1.40Å | Aromatic |
CAR | CLAB | sing | 1.74Å | 1.74Å | |
CAR | CAK | sing | 1.38Å | 1.39Å | Aromatic |
CAK | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
CAJ | CAQ | sing | 1.38Å | 1.41Å | Aromatic |
CAQ | CAO | sing | 1.51Å | 1.55Å | |
CAO | NAY | sing | 1.47Å | 1.47Å | |
NAY | CAX | sing | 1.38Å | 1.35Å | Aromatic |
NAY | CAU | sing | 1.37Å | 1.34Å | Aromatic |
CAX | CAW | sing | 1.40Å | 1.40Å | Aromatic |
CAX | CAV | doub | 1.40Å | 1.41Å | Aromatic |
CAU | NAA | sing | 1.38Å | 1.33Å | |
CAU | NAP | doub | 1.31Å | 1.33Å | Aromatic |
NAP | CAW | sing | 1.36Å | 1.34Å | Aromatic |
CAW | CAM | doub | 1.40Å | 1.40Å | Aromatic |
CAM | CAG | sing | 1.38Å | 1.39Å | Aromatic |
CAG | CAL | doub | 1.38Å | 1.40Å | Aromatic |
CAL | CAV | sing | 1.39Å | 1.39Å | Aromatic |
CAV | CAT | sing | 1.48Å | 1.41Å | Aromatic |
CAT | CAH | sing | 1.39Å | 1.40Å | Aromatic |
CAT | CAI | doub | 1.39Å | 1.41Å | Aromatic |
CAH | CAE | doub | 1.38Å | 1.40Å | Aromatic |
CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
CAD | CAF | doub | 1.38Å | 1.40Å | Aromatic |
CAF | CAI | sing | 1.38Å | 1.40Å | Aromatic |
CAN | HAN | sing | 1.08Å | 1.08Å | |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAO | HAO1 | sing | 1.09Å | 1.10Å | |
CAO | HAO2 | sing | 1.09Å | 1.10Å | |
NAA | HAA1 | sing | 0.97Å | 1.00Å | |
NAA | HAA2 | sing | 0.97Å | 1.00Å | |
CAM | HAM | sing | 1.08Å | 1.08Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAD | HAD | sing | 1.08Å | 1.08Å | |
CAF | HAF | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAS | CAN | CAQ | 121.2° | 120.0° |
CAN | CAS | CLAC | 120.6° | 120.0° |
CAN | CAS | CAR | 119.4° | 120.0° |
CAS | CAN | HAN | 119.4° | 120.0° |
CAN | CAQ | CAJ | 118.8° | 120.1° |
CAN | CAQ | CAO | 120.1° | 120.0° |
CAQ | CAN | HAN | 119.4° | 120.0° |
CLAC | CAS | CAR | 120.0° | 120.0° |
CAS | CAR | CLAB | 119.4° | 120.1° |
CAS | CAR | CAK | 120.4° | 120.0° |
CLAB | CAR | CAK | 120.2° | 120.0° |
CAR | CAK | CAJ | 119.5° | 120.0° |
CAR | CAK | HAK | 120.3° | 120.0° |
CAK | CAJ | CAQ | 120.6° | 120.0° |
CAJ | CAK | HAK | 120.2° | 120.0° |
CAK | CAJ | HAJ | 119.7° | 120.0° |
CAJ | CAQ | CAO | 121.0° | 120.0° |
CAQ | CAJ | HAJ | 119.7° | 120.0° |
CAQ | CAO | NAY | 107.5° | 109.5° |
CAQ | CAO | HAO1 | 110.2° | 109.5° |
CAQ | CAO | HAO2 | 110.6° | 109.5° |
CAO | NAY | CAX | 126.3° | 126.3° |
CAO | NAY | CAU | 124.9° | 126.4° |
NAY | CAO | HAO1 | 110.2° | 109.4° |
NAY | CAO | HAO2 | 110.6° | 109.5° |
CAX | NAY | CAU | 108.8° | 107.3° |
NAY | CAX | CAW | 105.4° | 106.2° |
NAY | CAX | CAV | 134.3° | 133.9° |
NAY | CAU | NAA | 125.0° | 125.1° |
NAY | CAU | NAP | 109.9° | 109.8° |
CAW | CAX | CAV | 120.3° | 119.9° |
CAX | CAW | NAP | 108.5° | 107.2° |
CAX | CAW | CAM | 119.1° | 119.5° |
CAX | CAV | CAL | 119.9° | 119.6° |
CAX | CAV | CAT | 120.4° | 120.2° |
NAA | CAU | NAP | 125.0° | 125.1° |
CAU | NAA | HAA1 | 109.5° | 120.0° |
CAU | NAA | HAA2 | 109.5° | 120.0° |
CAU | NAP | CAW | 107.3° | 109.6° |
NAP | CAW | CAM | 132.4° | 133.3° |
CAW | CAM | CAG | 120.7° | 120.0° |
CAW | CAM | HAM | 119.6° | 120.0° |
CAM | CAG | CAL | 119.7° | 120.7° |
CAG | CAM | HAM | 119.7° | 120.0° |
CAM | CAG | HAG | 120.1° | 119.7° |
CAG | CAL | CAV | 120.4° | 120.3° |
CAL | CAG | HAG | 120.2° | 119.7° |
CAG | CAL | HAL | 119.8° | 119.9° |
CAL | CAV | CAT | 119.7° | 120.2° |
CAV | CAL | HAL | 119.8° | 119.8° |
CAV | CAT | CAH | 120.6° | 120.1° |
CAV | CAT | CAI | 120.2° | 120.1° |
CAH | CAT | CAI | 119.3° | 119.8° |
CAT | CAH | CAE | 120.0° | 119.9° |
CAT | CAH | HAH | 120.0° | 120.0° |
CAT | CAI | CAF | 120.7° | 119.9° |
CAT | CAI | HAI | 119.6° | 120.1° |
CAH | CAE | CAD | 120.3° | 120.2° |
CAE | CAH | HAH | 120.0° | 120.1° |
CAH | CAE | HAE | 119.8° | 119.9° |
CAE | CAD | CAF | 120.1° | 120.2° |
CAD | CAE | HAE | 119.9° | 119.9° |
CAE | CAD | HAD | 119.9° | 119.9° |
CAD | CAF | CAI | 119.6° | 120.2° |
CAF | CAD | HAD | 119.9° | 119.9° |
CAD | CAF | HAF | 120.2° | 119.9° |
CAF | CAI | HAI | 119.7° | 120.1° |
CAI | CAF | HAF | 120.2° | 119.9° |
HAO1 | CAO | HAO2 | 107.9° | 109.5° |
HAA1 | NAA | HAA2 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAS | CAN | CAQ | HAN | 180.0° | 179.8° |
CAN | CAS | CLAC | CAR | 180.0° | 180.0° |
CAN | CAS | CAR | CLAB | 179.9° | 180.0° |
CAN | CAS | CAR | CAK | 0.5° | 0.0° |
CAS | CAN | CAQ | CAJ | 1.2° | 0.0° |
CAS | CAN | CAQ | CAO | 179.7° | 179.9° |
CAQ | CAN | CAS | CLAC | 178.8° | 180.0° |
CAQ | CAN | CAS | CAR | 1.3° | 0.0° |
CAN | CAQ | CAJ | CAK | 0.4° | 0.0° |
CAN | CAQ | CAJ | CAO | 179.1° | 179.9° |
CAN | CAQ | CAO | NAY | 176.8° | 95.9° |
CAN | CAQ | CAJ | HAJ | 179.6° | 180.0° |
CAN | CAQ | CAO | HAO1 | 56.8° | 144.2° |
CAN | CAQ | CAO | HAO2 | 62.4° | 24.1° |
CLAC | CAS | CAR | CLAB | 0.1° | 0.0° |
CLAC | CAS | CAR | CAK | 179.6° | 180.0° |
CLAC | CAS | CAN | HAN | 1.3° | 0.2° |
CAS | CAR | CLAB | CAK | 179.4° | 179.9° |
CAS | CAR | CAK | CAJ | 0.4° | 0.0° |
CAR | CAS | CAN | HAN | 178.7° | 179.8° |
CAS | CAR | CAK | HAK | 179.6° | 180.0° |
CLAB | CAR | CAK | CAJ | 179.1° | 180.0° |
CLAB | CAR | CAK | HAK | 0.9° | 0.1° |
CAR | CAK | CAJ | HAK | 180.0° | 180.0° |
CAR | CAK | CAJ | CAQ | 0.4° | 0.0° |
CAR | CAK | CAJ | HAJ | 179.6° | 179.9° |
CAK | CAJ | CAQ | HAJ | 180.0° | 179.9° |
CAK | CAJ | CAQ | CAO | 179.5° | 179.9° |
CAJ | CAQ | CAO | NAY | 2.3° | 84.2° |
CAJ | CAQ | CAN | HAN | 178.7° | 179.7° |
CAQ | CAJ | CAK | HAK | 179.6° | 180.0° |
CAJ | CAQ | CAO | HAO1 | 122.3° | 35.7° |
CAJ | CAQ | CAO | HAO2 | 118.5° | 155.8° |
CAQ | CAO | NAY | HAO1 | 120.0° | 120.0° |
CAQ | CAO | NAY | HAO2 | 120.8° | 120.0° |
CAQ | CAO | NAY | CAX | 85.7° | 95.3° |
CAQ | CAO | NAY | CAU | 93.4° | 84.3° |
CAO | CAQ | CAN | HAN | 0.4° | 0.2° |
CAO | CAQ | CAJ | HAJ | 0.5° | 0.1° |
CAQ | CAO | HAO1 | HAO2 | 120.8° | 120.1° |
CAO | NAY | CAX | CAU | 179.2° | 179.7° |
CAO | NAY | CAX | CAW | 178.1° | 180.0° |
CAO | NAY | CAX | CAV | 0.2° | 0.1° |
CAO | NAY | CAU | NAA | 0.7° | 0.0° |
CAO | NAY | CAU | NAP | 178.8° | 180.0° |
NAY | CAO | HAO1 | HAO2 | 120.8° | 120.0° |
NAY | CAX | CAW | CAV | 178.6° | 180.0° |
CAX | NAY | CAU | NAA | 179.9° | 179.7° |
CAX | NAY | CAU | NAP | 0.4° | 0.2° |
NAY | CAX | CAW | NAP | 1.4° | 0.2° |
NAY | CAX | CAW | CAM | 179.8° | 180.0° |
NAY | CAX | CAV | CAL | 179.1° | 179.9° |
NAY | CAX | CAV | CAT | 0.5° | 0.0° |
CAX | NAY | CAO | HAO1 | 34.3° | 144.7° |
CAX | NAY | CAO | HAO2 | 153.5° | 24.6° |
CAU | NAY | CAX | CAW | 1.1° | 0.3° |
CAU | NAY | CAX | CAV | 179.4° | 179.8° |
NAY | CAU | NAA | NAP | 179.4° | 180.0° |
NAY | CAU | NAP | CAW | 0.6° | 0.1° |
CAU | NAY | CAO | HAO1 | 146.6° | 35.7° |
CAU | NAY | CAO | HAO2 | 27.4° | 155.7° |
NAY | CAU | NAA | HAA1 | 101.3° | 0.0° |
NAY | CAU | NAA | HAA2 | 138.7° | 180.0° |
CAX | CAW | NAP | CAU | 1.2° | 0.1° |
CAX | CAW | NAP | CAM | 178.1° | 179.8° |
CAX | CAW | CAM | CAG | 1.6° | 0.0° |
CAW | CAX | CAV | CAL | 1.0° | 0.0° |
CAW | CAX | CAV | CAT | 178.6° | 180.0° |
CAX | CAW | CAM | HAM | 178.4° | 180.0° |
CAV | CAX | CAW | NAP | 180.0° | 179.8° |
CAV | CAX | CAW | CAM | 1.6° | 0.0° |
CAX | CAV | CAL | CAG | 0.3° | 0.0° |
CAX | CAV | CAL | CAT | 179.5° | 180.0° |
CAX | CAV | CAT | CAH | 100.1° | 121.1° |
CAX | CAV | CAT | CAI | 79.6° | 59.1° |
CAX | CAV | CAL | HAL | 179.7° | 180.0° |
NAA | CAU | NAP | CAW | 178.9° | 179.8° |
CAU | NAA | HAA1 | HAA2 | 120.0° | 180.0° |
CAU | NAP | CAW | CAM | 179.3° | 179.8° |
NAP | CAU | NAA | HAA1 | 78.1° | 180.0° |
NAP | CAU | NAA | HAA2 | 41.9° | 0.0° |
NAP | CAW | CAM | CAG | 179.5° | 179.8° |
NAP | CAW | CAM | HAM | 0.5° | 0.2° |
CAW | CAM | CAG | HAM | 180.0° | 180.0° |
CAW | CAM | CAG | CAL | 1.0° | 0.0° |
CAW | CAM | CAG | HAG | 179.0° | 180.0° |
CAM | CAG | CAL | HAG | 180.0° | 180.0° |
CAM | CAG | CAL | CAV | 0.3° | 0.0° |
CAM | CAG | CAL | HAL | 179.7° | 180.0° |
CAG | CAL | CAV | HAL | 180.0° | 179.9° |
CAG | CAL | CAV | CAT | 179.2° | 180.0° |
CAL | CAG | CAM | HAM | 179.1° | 180.0° |
CAL | CAV | CAT | CAH | 79.5° | 58.9° |
CAL | CAV | CAT | CAI | 100.8° | 120.9° |
CAV | CAL | CAG | HAG | 179.7° | 180.0° |
CAV | CAT | CAH | CAI | 179.7° | 179.8° |
CAV | CAT | CAH | CAE | 179.7° | 180.0° |
CAV | CAT | CAI | CAF | 179.6° | 179.7° |
CAT | CAV | CAL | HAL | 0.8° | 0.0° |
CAV | CAT | CAH | HAH | 0.2° | 0.0° |
CAV | CAT | CAI | HAI | 0.5° | 0.0° |
CAT | CAH | CAE | HAH | 180.0° | 180.0° |
CAT | CAH | CAE | CAD | 0.1° | 0.0° |
CAH | CAT | CAI | CAF | 0.1° | 0.6° |
CAH | CAT | CAI | HAI | 179.8° | 179.7° |
CAT | CAH | CAE | HAE | 179.9° | 180.0° |
CAI | CAT | CAH | CAE | 0.0° | 0.2° |
CAT | CAI | CAF | CAD | 0.4° | 0.6° |
CAT | CAI | CAF | HAI | 180.0° | 179.7° |
CAI | CAT | CAH | HAH | 179.9° | 179.8° |
CAT | CAI | CAF | HAF | 179.6° | 179.7° |
CAH | CAE | CAD | HAE | 180.0° | 179.9° |
CAH | CAE | CAD | CAF | 0.4° | 0.0° |
CAH | CAE | CAD | HAD | 179.6° | 180.0° |
CAE | CAD | CAF | HAD | 180.0° | 180.0° |
CAE | CAD | CAF | CAI | 0.6° | 0.3° |
CAD | CAE | CAH | HAH | 180.0° | 180.0° |
CAE | CAD | CAF | HAF | 179.5° | 180.0° |
CAD | CAF | CAI | HAF | 180.0° | 179.7° |
CAD | CAF | CAI | HAI | 179.5° | 179.7° |
CAF | CAD | CAE | HAE | 179.6° | 180.0° |
CAI | CAF | CAD | HAD | 179.4° | 179.7° |
HAK | CAK | CAJ | HAJ | 0.4° | 0.0° |
HAM | CAM | CAG | HAG | 0.9° | 0.0° |
HAG | CAG | CAL | HAL | 0.3° | 0.0° |
HAH | CAH | CAE | HAE | 0.1° | 0.0° |
HAI | CAI | CAF | HAF | 0.4° | 0.0° |
HAE | CAE | CAD | HAD | 0.4° | 0.0° |
HAD | CAD | CAF | HAF | 0.5° | 0.0° |