ATV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAL | doub | 1.22Å | 1.25Å | |
OAB | CAM | doub | 1.22Å | 1.23Å | |
CAC | CAE | doub | 1.37Å | 1.41Å | Aromatic |
CAC | CAG | sing | 1.39Å | 1.42Å | Aromatic |
CAD | CAF | doub | 1.37Å | 1.41Å | Aromatic |
CAD | CAH | sing | 1.39Å | 1.41Å | Aromatic |
CAE | CAN | sing | 1.41Å | 1.41Å | Aromatic |
CAF | CAN | sing | 1.41Å | 1.41Å | Aromatic |
CAG | CAO | doub | 1.39Å | 1.42Å | Aromatic |
CAH | CAP | doub | 1.39Å | 1.42Å | Aromatic |
CAI | OAK | sing | 1.43Å | 1.45Å | |
CAI | CAR | sing | 1.53Å | 1.54Å | |
CAJ | CAR | sing | 1.53Å | 1.60Å | |
CAJ | NAS | sing | 1.47Å | 1.51Å | |
OAK | CAR | sing | 1.43Å | 1.46Å | |
CAL | CAO | sing | 1.47Å | 1.42Å | |
CAL | NAS | sing | 1.35Å | 1.44Å | |
CAM | CAP | sing | 1.47Å | 1.41Å | |
CAM | NAS | sing | 1.35Å | 1.43Å | |
CAN | CAQ | doub | 1.41Å | 1.43Å | Aromatic |
CAO | CAQ | sing | 1.41Å | 1.42Å | Aromatic |
CAP | CAQ | sing | 1.41Å | 1.43Å | Aromatic |
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 | 1.09Å | 1.10Å | |
CAI | HAIA | sing | 1.09Å | 1.10Å | |
CAJ | HAJ | sing | 1.09Å | 1.10Å | |
CAJ | HAJA | sing | 1.09Å | 1.10Å | |
CAR | HAR | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAL | CAO | 118.6° | 119.8° |
OAA | CAL | NAS | 120.8° | 119.8° |
OAB | CAM | CAP | 119.9° | 119.8° |
OAB | CAM | NAS | 119.4° | 119.8° |
CAE | CAC | CAG | 120.0° | 121.6° |
CAC | CAE | CAN | 119.8° | 120.0° |
CAE | CAC | HAC | 120.0° | 119.2° |
CAC | CAE | HAE | 120.1° | 120.0° |
CAC | CAG | CAO | 121.0° | 120.1° |
CAG | CAC | HAC | 120.0° | 119.2° |
CAC | CAG | HAG | 119.5° | 119.9° |
CAF | CAD | CAH | 119.7° | 121.6° |
CAD | CAF | CAN | 119.4° | 120.0° |
CAF | CAD | HAD | 120.2° | 119.2° |
CAD | CAF | HAF | 120.3° | 119.9° |
CAD | CAH | CAP | 122.2° | 120.2° |
CAH | CAD | HAD | 120.1° | 119.2° |
CAD | CAH | HAH | 118.9° | 119.9° |
CAE | CAN | CAF | 118.6° | 122.2° |
CAE | CAN | CAQ | 120.4° | 118.9° |
CAN | CAE | HAE | 120.1° | 120.0° |
CAF | CAN | CAQ | 120.9° | 118.9° |
CAN | CAF | HAF | 120.3° | 120.0° |
CAG | CAO | CAL | 121.5° | 122.3° |
CAG | CAO | CAQ | 119.2° | 119.1° |
CAO | CAG | HAG | 119.5° | 119.9° |
CAH | CAP | CAM | 122.2° | 122.3° |
CAH | CAP | CAQ | 118.2° | 119.0° |
CAP | CAH | HAH | 118.9° | 119.9° |
OAK | CAI | CAR | 58.4° | 57.7° |
CAI | OAK | CAR | 64.0° | 64.7° |
OAK | CAI | HAI | 131.8° | 117.8° |
OAK | CAI | HAIA | 131.8° | 117.8° |
CAI | CAR | CAJ | 124.6° | 117.8° |
CAI | CAR | OAK | 57.6° | 57.6° |
CAR | CAI | HAI | 131.8° | 117.7° |
CAR | CAI | HAIA | 131.8° | 117.8° |
CAI | CAR | HAR | 134.8° | 117.8° |
CAR | CAJ | NAS | 117.7° | 109.5° |
CAJ | CAR | OAK | 121.7° | 117.8° |
CAR | CAJ | HAJ | 106.8° | 109.5° |
CAR | CAJ | HAJA | 106.8° | 109.5° |
CAJ | CAR | HAR | 86.1° | 115.7° |
CAJ | NAS | CAL | 122.8° | 118.8° |
CAJ | NAS | CAM | 118.2° | 118.7° |
NAS | CAJ | HAJ | 106.8° | 109.5° |
NAS | CAJ | HAJA | 106.8° | 109.5° |
OAK | CAR | HAR | 137.4° | 117.8° |
CAO | CAL | NAS | 120.6° | 120.3° |
CAL | CAO | CAQ | 119.3° | 118.7° |
CAL | NAS | CAM | 119.0° | 122.5° |
CAP | CAM | NAS | 120.7° | 120.3° |
CAM | CAP | CAQ | 119.5° | 118.7° |
CAN | CAQ | CAO | 119.6° | 120.3° |
CAN | CAQ | CAP | 119.5° | 120.3° |
CAO | CAQ | CAP | 120.9° | 119.5° |
HAI | CAI | HAIA | 80.4° | 115.7° |
HAJ | CAJ | HAJA | 112.0° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAL | CAO | CAG | 0.1° | 0.1° |
OAA | CAL | NAS | CAJ | 1.1° | 0.1° |
OAA | CAL | CAO | NAS | 179.7° | 179.9° |
OAA | CAL | NAS | CAM | 179.5° | 179.9° |
OAA | CAL | CAO | CAQ | 179.9° | 180.0° |
OAB | CAM | CAP | CAH | 0.3° | 0.0° |
OAB | CAM | NAS | CAJ | 1.4° | 0.0° |
OAB | CAM | NAS | CAL | 179.9° | 179.9° |
OAB | CAM | CAP | NAS | 179.2° | 179.9° |
OAB | CAM | CAP | CAQ | 179.7° | 179.9° |
CAE | CAC | CAG | HAC | 180.0° | 179.7° |
CAC | CAE | CAN | HAE | 180.0° | 179.9° |
CAC | CAE | CAN | CAF | 179.8° | 179.9° |
CAE | CAC | CAG | CAO | 0.4° | 0.0° |
CAC | CAE | CAN | CAQ | 0.7° | 0.0° |
CAE | CAC | CAG | HAG | 179.6° | 180.0° |
CAG | CAC | CAE | CAN | 0.7° | 0.0° |
CAC | CAG | CAO | HAG | 180.0° | 180.0° |
CAC | CAG | CAO | CAL | 179.9° | 180.0° |
CAC | CAG | CAO | CAQ | 0.0° | 0.1° |
CAG | CAC | CAE | HAE | 179.3° | 180.0° |
CAF | CAD | CAH | HAD | 180.0° | 179.9° |
CAD | CAF | CAN | CAE | 179.9° | 179.9° |
CAD | CAF | CAN | HAF | 180.0° | 179.9° |
CAF | CAD | CAH | CAP | 0.1° | 0.1° |
CAD | CAF | CAN | CAQ | 0.5° | 0.0° |
CAF | CAD | CAH | HAH | 179.9° | 180.0° |
CAH | CAD | CAF | CAN | 0.4° | 0.0° |
CAD | CAH | CAP | HAH | 180.0° | 179.9° |
CAD | CAH | CAP | CAM | 179.9° | 180.0° |
CAD | CAH | CAP | CAQ | 0.1° | 0.1° |
CAH | CAD | CAF | HAF | 179.6° | 179.9° |
CAE | CAN | CAF | CAQ | 179.5° | 179.9° |
CAE | CAN | CAQ | CAO | 0.3° | 0.0° |
CAE | CAN | CAQ | CAP | 179.7° | 180.0° |
CAN | CAE | CAC | HAC | 179.2° | 179.7° |
CAE | CAN | CAF | HAF | 0.0° | 0.1° |
CAF | CAN | CAQ | CAO | 179.8° | 179.9° |
CAF | CAN | CAQ | CAP | 0.2° | 0.1° |
CAN | CAF | CAD | HAD | 179.6° | 179.9° |
CAF | CAN | CAE | HAE | 0.2° | 0.1° |
CAG | CAO | CAL | CAQ | 179.9° | 179.9° |
CAG | CAO | CAL | NAS | 179.6° | 180.0° |
CAG | CAO | CAQ | CAN | 0.0° | 0.0° |
CAG | CAO | CAQ | CAP | 180.0° | 180.0° |
CAO | CAG | CAC | HAC | 179.6° | 179.7° |
CAH | CAP | CAM | CAQ | 180.0° | 180.0° |
CAH | CAP | CAM | NAS | 179.5° | 179.8° |
CAH | CAP | CAQ | CAN | 0.0° | 0.0° |
CAH | CAP | CAQ | CAO | 180.0° | 180.0° |
CAP | CAH | CAD | HAD | 179.9° | 180.0° |
OAK | CAI | CAR | HAI | 120.0° | 106.9° |
OAK | CAI | CAR | HAIA | 120.0° | 106.9° |
CAI | OAK | CAR | CAJ | 113.5° | 106.9° |
OAK | CAI | HAI | HAIA | 139.1° | 147.0° |
OAK | CAI | CAR | HAR | 126.7° | 106.9° |
CAI | CAR | CAJ | HAR | 144.3° | 147.0° |
CAI | CAR | CAJ | NAS | 156.7° | 175.0° |
CAR | CAI | HAI | HAIA | 139.1° | 147.0° |
CAI | CAR | CAJ | HAJ | 36.7° | 55.0° |
CAI | CAR | CAJ | HAJA | 83.3° | 64.9° |
CAR | CAJ | NAS | HAJ | 120.0° | 120.0° |
CAR | CAJ | NAS | HAJA | 120.0° | 120.1° |
CAJ | CAR | OAK | HAR | 123.6° | 146.3° |
CAR | CAJ | NAS | CAL | 38.9° | 90.0° |
CAR | CAJ | NAS | CAM | 142.6° | 89.9° |
CAJ | CAR | CAI | HAI | 131.5° | 146.3° |
CAJ | CAR | CAI | HAIA | 11.4° | 0.0° |
CAR | CAJ | HAJ | HAJA | 116.6° | 120.0° |
NAS | CAJ | CAR | OAK | 133.1° | 119.0° |
CAJ | NAS | CAL | CAO | 179.2° | 180.0° |
CAJ | NAS | CAL | CAM | 178.5° | 179.8° |
CAJ | NAS | CAM | CAP | 179.4° | 179.9° |
NAS | CAJ | HAJ | HAJA | 116.6° | 120.0° |
NAS | CAJ | CAR | HAR | 12.4° | 28.0° |
OAK | CAR | CAJ | HAJ | 106.9° | 121.0° |
OAK | CAR | CAJ | HAJA | 13.1° | 1.1° |
CAO | CAL | NAS | CAM | 0.8° | 0.2° |
CAL | CAO | CAQ | CAN | 180.0° | 180.0° |
CAL | CAO | CAQ | CAP | 0.0° | 0.0° |
CAL | CAO | CAG | HAG | 0.1° | 0.0° |
CAL | NAS | CAM | CAP | 0.8° | 0.3° |
NAS | CAL | CAO | CAQ | 0.3° | 0.1° |
CAL | NAS | CAJ | HAJ | 81.1° | 30.1° |
CAL | NAS | CAJ | HAJA | 158.9° | 150.0° |
CAM | CAP | CAQ | CAN | 180.0° | 179.9° |
CAM | CAP | CAQ | CAO | 0.0° | 0.1° |
CAM | CAP | CAH | HAH | 0.1° | 0.0° |
NAS | CAM | CAP | CAQ | 0.5° | 0.2° |
CAM | NAS | CAJ | HAJ | 97.4° | 150.1° |
CAM | NAS | CAJ | HAJA | 22.6° | 30.2° |
CAN | CAQ | CAO | CAP | 180.0° | 180.0° |
CAQ | CAN | CAE | HAE | 179.3° | 180.0° |
CAQ | CAN | CAF | HAF | 179.5° | 180.0° |
CAQ | CAO | CAG | HAG | 180.0° | 179.9° |
CAQ | CAP | CAH | HAH | 179.9° | 180.0° |
HAC | CAC | CAE | HAE | 0.8° | 0.3° |
HAC | CAC | CAG | HAG | 0.4° | 0.3° |
HAD | CAD | CAF | HAF | 0.4° | 0.0° |
HAD | CAD | CAH | HAH | 0.1° | 0.1° |
HAI | CAI | CAR | HAR | 6.7° | 0.0° |
HAIA | CAI | CAR | HAR | 113.3° | 146.3° |
HAJ | CAJ | CAR | HAR | 107.5° | 92.0° |
HAJA | CAJ | CAR | HAR | 132.4° | 148.1° |