AKD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAM | sing | 1.22Å | 1.25Å | |
OAB | CAM | doub | 1.22Å | 1.23Å | |
BRAC | CAN | sing | 1.89Å | 1.87Å | |
CAD | CAE | doub | 1.38Å | 1.37Å | Aromatic |
CAD | CAN | sing | 1.39Å | 1.36Å | Aromatic |
CAE | CAO | sing | 1.39Å | 1.41Å | Aromatic |
CAF | CAN | doub | 1.38Å | 1.41Å | Aromatic |
CAF | CAP | sing | 1.40Å | 1.38Å | Aromatic |
CAG | CAH | sing | 1.53Å | 1.55Å | |
CAG | CAI | sing | 1.53Å | 1.56Å | |
CAH | NAK | sing | 1.47Å | 1.48Å | |
CAI | CAQ | sing | 1.53Å | 1.55Å | |
CAJ | NAK | sing | 1.47Å | 1.48Å | |
CAJ | CAQ | sing | 1.53Å | 1.52Å | |
NAL | CAO | sing | 1.39Å | 1.37Å | |
NAL | CAQ | sing | 1.47Å | 1.51Å | |
CAM | CAP | sing | 1.47Å | 1.52Å | |
CAO | CAP | doub | 1.40Å | 1.41Å | Aromatic |
CAD | HAD | sing | 1.08Å | 1.08Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAG | HAG | sing | 1.09Å | 1.10Å | |
CAG | HAGA | sing | 1.09Å | 1.10Å | |
CAH | HAH | sing | 1.09Å | 1.10Å | |
CAH | HAHA | sing | 1.09Å | 1.10Å | |
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 | |
NAK | HNAK | sing | 1.01Å | 1.00Å | |
NAL | HNAL | sing | 0.97Å | 1.00Å | |
CAQ | HAQ | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAM | OAB | 122.8° | 120.0° |
OAA | CAM | CAP | 123.6° | 120.1° |
OAB | CAM | CAP | 113.6° | 120.0° |
BRAC | CAN | CAD | 127.8° | 119.8° |
BRAC | CAN | CAF | 111.3° | 119.8° |
CAE | CAD | CAN | 121.5° | 120.4° |
CAD | CAE | CAO | 119.2° | 120.1° |
CAE | CAD | HAD | 119.3° | 119.8° |
CAD | CAE | HAE | 120.4° | 119.9° |
CAD | CAN | CAF | 120.8° | 120.3° |
CAN | CAD | HAD | 119.3° | 119.8° |
CAE | CAO | NAL | 117.6° | 120.1° |
CAE | CAO | CAP | 119.4° | 119.7° |
CAO | CAE | HAE | 120.4° | 120.0° |
CAN | CAF | CAP | 118.6° | 120.0° |
CAN | CAF | HAF | 120.7° | 120.0° |
CAF | CAP | CAM | 118.6° | 120.2° |
CAF | CAP | CAO | 120.3° | 119.5° |
CAP | CAF | HAF | 120.7° | 120.0° |
CAH | CAG | CAI | 113.5° | 109.3° |
CAG | CAH | NAK | 110.1° | 109.5° |
CAH | CAG | HAG | 108.2° | 109.5° |
CAH | CAG | HAGA | 108.1° | 109.5° |
CAG | CAH | HAH | 109.3° | 109.5° |
CAG | CAH | HAHA | 109.2° | 109.5° |
CAG | CAI | CAQ | 112.4° | 109.1° |
CAI | CAG | HAG | 108.2° | 109.5° |
CAI | CAG | HAGA | 108.2° | 109.5° |
CAG | CAI | HAI | 108.5° | 109.5° |
CAG | CAI | HAIA | 108.5° | 109.5° |
CAH | NAK | CAJ | 106.1° | 111.2° |
NAK | CAH | HAH | 109.2° | 109.5° |
NAK | CAH | HAHA | 109.3° | 109.4° |
CAH | NAK | HNAK | 110.6° | 111.0° |
CAI | CAQ | CAJ | 105.2° | 109.3° |
CAI | CAQ | NAL | 108.6° | 109.5° |
CAQ | CAI | HAI | 108.5° | 109.5° |
CAQ | CAI | HAIA | 108.5° | 109.5° |
CAI | CAQ | HAQ | 112.9° | 109.5° |
NAK | CAJ | CAQ | 115.0° | 109.6° |
NAK | CAJ | HAJ | 107.7° | 109.5° |
NAK | CAJ | HAJA | 107.7° | 109.5° |
CAJ | NAK | HNAK | 110.6° | 111.0° |
CAJ | CAQ | NAL | 109.9° | 109.5° |
CAQ | CAJ | HAJ | 107.7° | 109.5° |
CAQ | CAJ | HAJA | 107.7° | 109.4° |
CAJ | CAQ | HAQ | 111.7° | 109.5° |
CAO | NAL | CAQ | 123.4° | 120.0° |
NAL | CAO | CAP | 123.0° | 120.2° |
CAO | NAL | HNAL | 105.1° | 119.9° |
CAQ | NAL | HNAL | 105.1° | 120.0° |
NAL | CAQ | HAQ | 108.5° | 109.5° |
CAM | CAP | CAO | 121.1° | 120.3° |
HAG | CAG | HAGA | 110.8° | 109.5° |
HAH | CAH | HAHA | 109.7° | 109.5° |
HAI | CAI | HAIA | 110.4° | 109.6° |
HAJ | CAJ | HAJA | 111.2° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAM | OAB | CAP | 178.7° | 180.0° |
OAA | CAM | CAP | CAF | 28.3° | 6.1° |
OAA | CAM | CAP | CAO | 149.0° | 173.9° |
OAB | CAM | CAP | CAF | 153.0° | 173.9° |
OAB | CAM | CAP | CAO | 29.7° | 6.1° |
BRAC | CAN | CAD | CAE | 176.2° | 180.0° |
BRAC | CAN | CAD | CAF | 175.8° | 180.0° |
BRAC | CAN | CAF | CAP | 179.7° | 180.0° |
BRAC | CAN | CAD | HAD | 3.8° | 0.3° |
BRAC | CAN | CAF | HAF | 0.3° | 0.1° |
CAE | CAD | CAN | HAD | 180.0° | 179.7° |
CAD | CAE | CAO | HAE | 180.0° | 179.9° |
CAE | CAD | CAN | CAF | 0.4° | 0.1° |
CAD | CAE | CAO | NAL | 178.1° | 180.0° |
CAD | CAE | CAO | CAP | 0.8° | 0.0° |
CAN | CAD | CAE | CAO | 0.8° | 0.0° |
CAD | CAN | CAF | CAP | 3.3° | 0.0° |
CAN | CAD | CAE | HAE | 179.2° | 180.0° |
CAD | CAN | CAF | HAF | 176.8° | 180.0° |
CAE | CAO | CAP | CAF | 3.7° | 0.0° |
CAE | CAO | NAL | CAP | 177.2° | 180.0° |
CAE | CAO | NAL | CAQ | 2.0° | 5.5° |
CAE | CAO | CAP | CAM | 179.1° | 180.0° |
CAO | CAE | CAD | HAD | 179.1° | 179.7° |
CAE | CAO | NAL | HNAL | 118.1° | 174.6° |
CAN | CAF | CAP | HAF | 180.0° | 179.9° |
CAN | CAF | CAP | CAM | 177.8° | 180.0° |
CAN | CAF | CAP | CAO | 4.9° | 0.0° |
CAF | CAN | CAD | HAD | 179.6° | 179.7° |
CAF | CAP | CAO | NAL | 179.2° | 180.0° |
CAF | CAP | CAM | CAO | 177.3° | 180.0° |
CAH | CAG | CAI | HAG | 120.0° | 119.9° |
CAH | CAG | CAI | HAGA | 120.0° | 120.0° |
CAG | CAH | NAK | HAH | 120.0° | 120.0° |
CAG | CAH | NAK | HAHA | 120.0° | 120.0° |
CAH | CAG | CAI | CAQ | 47.7° | 57.7° |
CAG | CAH | NAK | CAJ | 59.9° | 61.7° |
CAH | CAG | HAG | HAGA | 118.3° | 120.1° |
CAG | CAH | HAH | HAHA | 119.7° | 120.0° |
CAH | CAG | CAI | HAI | 72.3° | 62.2° |
CAH | CAG | CAI | HAIA | 167.7° | 177.6° |
CAG | CAH | NAK | HNAK | 60.1° | 62.4° |
CAI | CAG | CAH | NAK | 52.6° | 59.2° |
CAG | CAI | CAQ | HAI | 120.0° | 119.9° |
CAG | CAI | CAQ | HAIA | 120.0° | 119.9° |
CAG | CAI | CAQ | CAJ | 49.0° | 57.6° |
CAG | CAI | CAQ | NAL | 166.6° | 177.6° |
CAI | CAG | HAG | HAGA | 118.4° | 120.1° |
CAI | CAG | CAH | HAH | 172.6° | 179.2° |
CAI | CAG | CAH | HAHA | 67.4° | 60.8° |
CAG | CAI | HAI | HAIA | 118.8° | 120.2° |
CAG | CAI | CAQ | HAQ | 73.1° | 62.3° |
CAH | NAK | CAJ | HNAK | 120.0° | 124.1° |
CAH | NAK | CAJ | CAQ | 69.9° | 61.7° |
NAK | CAH | CAG | HAG | 172.6° | 179.1° |
NAK | CAH | CAG | HAGA | 67.4° | 60.8° |
NAK | CAH | HAH | HAHA | 119.7° | 120.0° |
CAH | NAK | CAJ | HAJ | 170.1° | 178.2° |
CAH | NAK | CAJ | HAJA | 50.2° | 58.3° |
CAI | CAQ | CAJ | NAK | 62.9° | 59.2° |
CAI | CAQ | CAJ | NAL | 116.7° | 119.9° |
CAI | CAQ | CAJ | HAQ | 122.8° | 119.9° |
CAI | CAQ | NAL | CAO | 141.8° | 155.0° |
CAI | CAQ | NAL | HAQ | 123.1° | 120.1° |
CAQ | CAI | CAG | HAG | 167.7° | 177.6° |
CAQ | CAI | CAG | HAGA | 72.3° | 62.3° |
CAQ | CAI | HAI | HAIA | 118.8° | 120.2° |
CAI | CAQ | CAJ | HAJ | 177.1° | 179.2° |
CAI | CAQ | CAJ | HAJA | 57.1° | 60.8° |
CAI | CAQ | NAL | HNAL | 21.8° | 25.1° |
NAK | CAJ | CAQ | HAJ | 120.0° | 120.1° |
NAK | CAJ | CAQ | HAJA | 120.0° | 120.0° |
NAK | CAJ | CAQ | NAL | 179.7° | 179.1° |
CAJ | NAK | CAH | HAH | 179.9° | 178.3° |
CAJ | NAK | CAH | HAHA | 60.1° | 58.3° |
NAK | CAJ | HAJ | HAJA | 117.7° | 120.0° |
NAK | CAJ | CAQ | HAQ | 59.9° | 60.7° |
CAJ | CAQ | NAL | CAO | 103.6° | 85.2° |
CAJ | CAQ | NAL | HAQ | 122.4° | 120.1° |
CAJ | CAQ | CAI | HAI | 71.0° | 62.3° |
CAJ | CAQ | CAI | HAIA | 169.0° | 177.6° |
CAQ | CAJ | HAJ | HAJA | 117.7° | 119.9° |
CAQ | CAJ | NAK | HNAK | 50.1° | 62.3° |
CAJ | CAQ | NAL | HNAL | 136.4° | 94.7° |
CAO | NAL | CAQ | HNAL | 120.0° | 179.9° |
NAL | CAO | CAP | CAM | 1.9° | 0.0° |
NAL | CAO | CAE | HAE | 1.9° | 0.0° |
CAO | NAL | CAQ | HAQ | 18.7° | 34.9° |
CAQ | NAL | CAO | CAP | 179.2° | 174.5° |
NAL | CAQ | CAI | HAI | 46.6° | 57.7° |
NAL | CAQ | CAI | HAIA | 73.4° | 62.5° |
NAL | CAQ | CAJ | HAJ | 60.3° | 60.8° |
NAL | CAQ | CAJ | HAJA | 59.7° | 59.1° |
CAM | CAP | CAF | HAF | 2.1° | 0.1° |
CAP | CAO | CAE | HAE | 179.2° | 180.0° |
CAO | CAP | CAF | HAF | 175.2° | 179.9° |
CAP | CAO | NAL | HNAL | 59.1° | 5.4° |
HAD | CAD | CAE | HAE | 0.9° | 0.3° |
HAG | CAG | CAH | HAH | 67.4° | 60.9° |
HAG | CAG | CAH | HAHA | 52.6° | 59.1° |
HAG | CAG | CAI | HAI | 47.7° | 57.7° |
HAG | CAG | CAI | HAIA | 72.3° | 62.5° |
HAGA | CAG | CAH | HAH | 52.6° | 59.2° |
HAGA | CAG | CAH | HAHA | 172.6° | 179.2° |
HAGA | CAG | CAI | HAI | 167.7° | 177.8° |
HAGA | CAG | CAI | HAIA | 47.7° | 57.6° |
HAH | CAH | NAK | HNAK | 59.9° | 57.7° |
HAHA | CAH | NAK | HNAK | 179.9° | 177.6° |
HAI | CAI | CAQ | HAQ | 166.9° | 177.8° |
HAIA | CAI | CAQ | HAQ | 46.9° | 57.6° |
HAJ | CAJ | NAK | HNAK | 69.9° | 57.7° |
HAJ | CAJ | CAQ | HAQ | 60.1° | 59.3° |
HAJA | CAJ | NAK | HNAK | 170.2° | 177.6° |
HAJA | CAJ | CAQ | HAQ | 179.9° | 179.2° |
HNAL | NAL | CAQ | HAQ | 101.3° | 145.1° |