KZ9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAB | CAQ | sing | 1.36Å | 1.34Å | |
CAQ | CAG | sing | 1.39Å | 1.39Å | Aromatic |
CAQ | CAE | doub | 1.39Å | 1.40Å | Aromatic |
CAG | CAR | doub | 1.38Å | 1.39Å | Aromatic |
CAE | CAD | sing | 1.38Å | 1.38Å | Aromatic |
CAD | CAF | doub | 1.38Å | 1.40Å | Aromatic |
CAF | CAR | sing | 1.38Å | 1.39Å | Aromatic |
CAR | CAS | sing | 1.51Å | 1.54Å | |
CAS | CAP | sing | 1.51Å | 1.56Å | |
CAS | NAL | sing | 1.45Å | 1.48Å | |
CAP | CAM | sing | 1.41Å | 1.40Å | |
CAP | CAO | doub | 1.35Å | 1.38Å | |
CAM | OAA | doub | 1.22Å | 1.23Å | |
CAM | CAI | sing | 1.50Å | 1.54Å | |
CAI | CAH | sing | 1.53Å | 1.51Å | |
CAH | CAJ | sing | 1.53Å | 1.54Å | |
CAJ | CAO | sing | 1.51Å | 1.53Å | |
CAO | NAK | sing | 1.37Å | 1.40Å | |
NAK | CAN | sing | 1.34Å | 1.38Å | |
CAN | SAC | doub | 1.71Å | 1.72Å | |
CAN | NAL | sing | 1.34Å | 1.40Å | |
OAB | HAB | sing | 0.97Å | 0.95Å | |
CAG | HAG | 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 | |
CAS | HAS | sing | 1.09Å | 1.10Å | |
NAL | HAL | sing | 0.97Å | 1.00Å | |
CAI | HAI1 | sing | 1.09Å | 1.10Å | |
CAI | HAI2 | sing | 1.09Å | 1.10Å | |
CAH | HAH1 | sing | 1.09Å | 1.10Å | |
CAH | HAH2 | sing | 1.09Å | 1.10Å | |
CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
NAK | HAK | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAB | CAQ | CAG | 117.2° | 120.1° |
OAB | CAQ | CAE | 121.0° | 120.1° |
CAQ | OAB | HAB | 109.5° | 114.0° |
CAG | CAQ | CAE | 121.7° | 119.9° |
CAQ | CAG | CAR | 119.3° | 119.9° |
CAQ | CAG | HAG | 120.3° | 120.0° |
CAQ | CAE | CAD | 118.8° | 120.0° |
CAQ | CAE | HAE | 120.6° | 120.0° |
CAG | CAR | CAF | 119.4° | 120.0° |
CAG | CAR | CAS | 121.3° | 120.0° |
CAR | CAG | HAG | 120.3° | 120.0° |
CAE | CAD | CAF | 119.7° | 120.0° |
CAD | CAE | HAE | 120.6° | 120.0° |
CAE | CAD | HAD | 120.2° | 120.0° |
CAD | CAF | CAR | 121.0° | 120.1° |
CAF | CAD | HAD | 120.2° | 120.0° |
CAD | CAF | HAF | 119.5° | 119.9° |
CAF | CAR | CAS | 119.2° | 120.0° |
CAR | CAF | HAF | 119.5° | 119.9° |
CAR | CAS | CAP | 110.1° | 109.0° |
CAR | CAS | NAL | 104.9° | 109.0° |
CAR | CAS | HAS | 112.9° | 108.9° |
CAP | CAS | NAL | 111.8° | 112.1° |
CAS | CAP | CAM | 121.9° | 117.9° |
CAS | CAP | CAO | 121.8° | 121.2° |
CAP | CAS | HAS | 106.1° | 109.0° |
CAS | NAL | CAN | 123.2° | 122.8° |
NAL | CAS | HAS | 111.2° | 108.8° |
CAS | NAL | HAL | 118.4° | 118.7° |
CAM | CAP | CAO | 116.3° | 120.9° |
CAP | CAM | OAA | 118.2° | 119.3° |
CAP | CAM | CAI | 125.1° | 121.3° |
CAP | CAO | CAJ | 122.5° | 121.0° |
CAP | CAO | NAK | 120.2° | 120.7° |
OAA | CAM | CAI | 116.6° | 119.4° |
CAM | CAI | CAH | 111.0° | 109.0° |
CAM | CAI | HAI1 | 109.0° | 109.5° |
CAM | CAI | HAI2 | 108.6° | 109.5° |
CAI | CAH | CAJ | 108.4° | 108.4° |
CAH | CAI | HAI1 | 109.0° | 109.6° |
CAH | CAI | HAI2 | 108.7° | 109.6° |
CAI | CAH | HAH1 | 109.8° | 109.7° |
CAI | CAH | HAH2 | 110.1° | 109.6° |
CAH | CAJ | CAO | 112.1° | 109.6° |
CAJ | CAH | HAH1 | 109.8° | 109.7° |
CAJ | CAH | HAH2 | 110.0° | 109.6° |
CAH | CAJ | HAJ1 | 108.6° | 109.5° |
CAH | CAJ | HAJ2 | 108.0° | 109.5° |
CAJ | CAO | NAK | 117.3° | 118.3° |
CAO | CAJ | HAJ1 | 108.6° | 109.4° |
CAO | CAJ | HAJ2 | 108.0° | 109.4° |
CAO | NAK | CAN | 122.1° | 121.5° |
CAO | NAK | HAK | 119.0° | 119.3° |
NAK | CAN | SAC | 119.0° | 119.2° |
NAK | CAN | NAL | 120.4° | 121.6° |
CAN | NAK | HAK | 119.0° | 119.2° |
SAC | CAN | NAL | 120.5° | 119.2° |
CAN | NAL | HAL | 118.4° | 118.5° |
HAI1 | CAI | HAI2 | 110.7° | 109.6° |
HAH1 | CAH | HAH2 | 108.7° | 109.8° |
HAJ1 | CAJ | HAJ2 | 111.6° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAB | CAQ | CAG | CAE | 178.1° | 179.7° |
OAB | CAQ | CAG | CAR | 179.7° | 180.0° |
OAB | CAQ | CAE | CAD | 177.9° | 180.0° |
OAB | CAQ | CAG | HAG | 0.3° | 0.0° |
OAB | CAQ | CAE | HAE | 2.1° | 0.0° |
CAQ | CAG | CAR | HAG | 180.0° | 180.0° |
CAG | CAQ | CAE | CAD | 0.2° | 0.3° |
CAQ | CAG | CAR | CAF | 2.3° | 0.0° |
CAQ | CAG | CAR | CAS | 179.5° | 180.0° |
CAG | CAQ | OAB | HAB | 164.7° | 89.9° |
CAG | CAQ | CAE | HAE | 179.8° | 179.7° |
CAE | CAQ | CAG | CAR | 1.6° | 0.3° |
CAQ | CAE | CAD | HAE | 180.0° | 180.0° |
CAQ | CAE | CAD | CAF | 1.2° | 0.1° |
CAE | CAQ | OAB | HAB | 13.5° | 90.4° |
CAE | CAQ | CAG | HAG | 178.4° | 179.7° |
CAQ | CAE | CAD | HAD | 178.8° | 180.0° |
CAG | CAR | CAF | CAD | 1.3° | 0.2° |
CAG | CAR | CAF | CAS | 178.2° | 180.0° |
CAG | CAR | CAS | CAP | 112.9° | 100.0° |
CAG | CAR | CAS | NAL | 126.6° | 137.4° |
CAG | CAR | CAF | HAF | 178.6° | 180.0° |
CAG | CAR | CAS | HAS | 5.4° | 18.8° |
CAE | CAD | CAF | HAD | 180.0° | 179.9° |
CAE | CAD | CAF | CAR | 0.4° | 0.2° |
CAE | CAD | CAF | HAF | 179.6° | 180.0° |
CAD | CAF | CAR | HAF | 180.0° | 179.8° |
CAD | CAF | CAR | CAS | 179.6° | 179.7° |
CAF | CAD | CAE | HAE | 178.9° | 179.9° |
CAF | CAR | CAS | CAP | 68.9° | 80.0° |
CAF | CAR | CAS | NAL | 51.6° | 42.6° |
CAF | CAR | CAG | HAG | 177.7° | 180.0° |
CAR | CAF | CAD | HAD | 179.6° | 179.7° |
CAF | CAR | CAS | HAS | 172.8° | 161.2° |
CAR | CAS | CAP | NAL | 116.2° | 120.7° |
CAR | CAS | CAP | HAS | 122.4° | 118.8° |
CAR | CAS | NAL | HAS | 122.3° | 118.7° |
CAR | CAS | CAP | CAM | 66.4° | 59.7° |
CAR | CAS | CAP | CAO | 112.4° | 120.4° |
CAR | CAS | NAL | CAN | 119.3° | 120.6° |
CAS | CAR | CAG | HAG | 0.5° | 0.0° |
CAS | CAR | CAF | HAF | 0.4° | 0.0° |
CAR | CAS | NAL | HAL | 60.7° | 59.3° |
CAP | CAS | NAL | HAS | 118.4° | 120.6° |
CAS | CAP | CAM | CAO | 178.9° | 179.9° |
CAS | CAP | CAM | OAA | 5.6° | 0.9° |
CAS | CAP | CAM | CAI | 177.3° | 179.1° |
CAS | CAP | CAO | CAJ | 179.4° | 179.6° |
CAS | CAP | CAO | NAK | 1.6° | 0.3° |
CAP | CAS | NAL | CAN | 0.0° | 0.1° |
CAP | CAS | NAL | HAL | 180.0° | 180.0° |
NAL | CAS | CAP | CAM | 177.4° | 179.6° |
NAL | CAS | CAP | CAO | 3.8° | 0.3° |
CAS | NAL | CAN | NAK | 6.0° | 0.1° |
CAS | NAL | CAN | SAC | 177.0° | 179.9° |
CAS | NAL | CAN | HAL | 180.0° | 180.0° |
CAP | CAM | OAA | CAI | 177.3° | 180.0° |
CAP | CAM | CAI | CAH | 24.6° | 28.2° |
CAM | CAP | CAO | CAJ | 1.8° | 0.5° |
CAM | CAP | CAO | NAK | 179.5° | 179.6° |
CAM | CAP | CAS | HAS | 56.1° | 59.1° |
CAP | CAM | CAI | HAI1 | 95.4° | 148.0° |
CAP | CAM | CAI | HAI2 | 144.0° | 91.7° |
CAO | CAP | CAM | OAA | 175.5° | 179.2° |
CAO | CAP | CAM | CAI | 1.5° | 0.8° |
CAP | CAO | CAJ | CAH | 30.7° | 30.8° |
CAP | CAO | CAJ | NAK | 177.8° | 179.9° |
CAP | CAO | NAK | CAN | 4.8° | 0.1° |
CAO | CAP | CAS | HAS | 125.1° | 120.8° |
CAP | CAO | CAJ | HAJ1 | 89.3° | 150.9° |
CAP | CAO | CAJ | HAJ2 | 149.6° | 89.2° |
CAP | CAO | NAK | HAK | 175.3° | 179.8° |
OAA | CAM | CAI | CAH | 158.3° | 151.8° |
OAA | CAM | CAI | HAI1 | 81.7° | 31.9° |
OAA | CAM | CAI | HAI2 | 38.9° | 88.3° |
CAM | CAI | CAH | HAI1 | 120.0° | 119.8° |
CAM | CAI | CAH | HAI2 | 119.4° | 119.8° |
CAM | CAI | CAH | CAJ | 50.4° | 56.7° |
CAM | CAI | HAI1 | HAI2 | 119.4° | 120.2° |
CAM | CAI | CAH | HAH1 | 170.4° | 63.1° |
CAM | CAI | CAH | HAH2 | 70.0° | 176.3° |
CAI | CAH | CAJ | HAH1 | 120.0° | 119.8° |
CAI | CAH | CAJ | HAH2 | 120.4° | 119.7° |
CAI | CAH | CAJ | CAO | 54.2° | 58.4° |
CAH | CAI | HAI1 | HAI2 | 119.4° | 120.3° |
CAI | CAH | HAH1 | HAH2 | 120.4° | 120.5° |
CAI | CAH | CAJ | HAJ1 | 65.8° | 178.5° |
CAI | CAH | CAJ | HAJ2 | 173.1° | 61.6° |
CAH | CAJ | CAO | HAJ1 | 120.0° | 120.1° |
CAH | CAJ | CAO | HAJ2 | 118.9° | 120.1° |
CAH | CAJ | CAO | NAK | 151.5° | 149.2° |
CAJ | CAH | CAI | HAI1 | 69.6° | 176.5° |
CAJ | CAH | CAI | HAI2 | 169.8° | 63.2° |
CAJ | CAH | HAH1 | HAH2 | 120.4° | 120.5° |
CAH | CAJ | HAJ1 | HAJ2 | 119.0° | 120.0° |
CAJ | CAO | NAK | CAN | 173.1° | 179.8° |
CAO | CAJ | CAH | HAH1 | 174.2° | 61.4° |
CAO | CAJ | CAH | HAH2 | 66.2° | 178.1° |
CAO | CAJ | HAJ1 | HAJ2 | 118.9° | 119.9° |
CAJ | CAO | NAK | HAK | 6.9° | 0.3° |
CAO | NAK | CAN | HAK | 180.0° | 179.9° |
CAO | NAK | CAN | SAC | 174.3° | 180.0° |
CAO | NAK | CAN | NAL | 8.6° | 0.1° |
NAK | CAO | CAJ | HAJ1 | 88.5° | 29.2° |
NAK | CAO | CAJ | HAJ2 | 32.6° | 90.7° |
NAK | CAN | SAC | NAL | 177.0° | 180.0° |
NAK | CAN | NAL | HAL | 174.0° | 179.9° |
SAC | CAN | NAL | HAL | 3.0° | 0.1° |
SAC | CAN | NAK | HAK | 5.6° | 0.0° |
CAN | NAL | CAS | HAS | 118.4° | 120.7° |
NAL | CAN | NAK | HAK | 171.4° | 180.0° |
HAE | CAE | CAD | HAD | 1.1° | 0.0° |
HAD | CAD | CAF | HAF | 0.4° | 0.1° |
HAS | CAS | NAL | HAL | 61.6° | 59.3° |
HAI1 | CAI | CAH | HAH1 | 50.4° | 56.8° |
HAI1 | CAI | CAH | HAH2 | 170.0° | 63.8° |
HAI2 | CAI | CAH | HAH1 | 70.2° | 177.1° |
HAI2 | CAI | CAH | HAH2 | 49.3° | 56.5° |
HAH1 | CAH | CAJ | HAJ1 | 54.2° | 58.7° |
HAH1 | CAH | CAJ | HAJ2 | 66.9° | 178.6° |
HAH2 | CAH | CAJ | HAJ1 | 173.8° | 61.9° |
HAH2 | CAH | CAJ | HAJ2 | 52.6° | 58.0° |