DZ2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAJ | CAQ | doub | 1.38Å | 1.38Å | Aromatic |
CAJ | CAS | sing | 1.39Å | 1.39Å | Aromatic |
CAQ | BRAE | sing | 1.89Å | 1.89Å | |
CAQ | CAP | sing | 1.39Å | 1.40Å | Aromatic |
CAP | OAB | sing | 1.36Å | 1.36Å | |
CAP | CAR | doub | 1.39Å | 1.40Å | Aromatic |
CAR | BRAF | sing | 1.89Å | 1.87Å | |
CAR | CAK | sing | 1.38Å | 1.38Å | Aromatic |
CAK | CAS | doub | 1.39Å | 1.38Å | Aromatic |
CAS | NAL | sing | 1.40Å | 1.31Å | |
NAL | CAM | sing | 1.35Å | 1.28Å | |
CAM | OAA | doub | 1.22Å | 1.24Å | |
CAM | CAT | sing | 1.48Å | 1.54Å | |
CAT | CAI | doub | 1.40Å | 1.36Å | Aromatic |
CAT | CAO | sing | 1.40Å | 1.43Å | Aromatic |
CAI | CAN | sing | 1.38Å | 1.32Å | Aromatic |
CAN | CLAC | sing | 1.74Å | 1.72Å | |
CAN | CAG | doub | 1.39Å | 1.37Å | Aromatic |
CAG | CAH | sing | 1.38Å | 1.43Å | Aromatic |
CAH | CAO | doub | 1.38Å | 1.39Å | Aromatic |
CAO | CLAD | sing | 1.74Å | 1.71Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
OAB | HOAB | sing | 0.97Å | 0.95Å | |
CAK | HAK | sing | 1.08Å | 1.08Å | |
NAL | HNAL | sing | 0.97Å | 1.00Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAH | HAH | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAQ | CAJ | CAS | 121.0° | 120.0° |
CAJ | CAQ | BRAE | 116.1° | 120.0° |
CAJ | CAQ | CAP | 121.3° | 120.0° |
CAQ | CAJ | HAJ | 119.5° | 120.0° |
CAJ | CAS | CAK | 118.9° | 120.0° |
CAJ | CAS | NAL | 122.6° | 120.0° |
CAS | CAJ | HAJ | 119.5° | 120.0° |
BRAE | CAQ | CAP | 122.6° | 120.0° |
CAQ | CAP | OAB | 120.9° | 120.0° |
CAQ | CAP | CAR | 115.6° | 120.0° |
OAB | CAP | CAR | 123.2° | 120.0° |
CAP | OAB | HOAB | 109.5° | 114.0° |
CAP | CAR | BRAF | 122.7° | 120.0° |
CAP | CAR | CAK | 123.6° | 120.0° |
BRAF | CAR | CAK | 113.6° | 120.0° |
CAR | CAK | CAS | 119.4° | 120.0° |
CAR | CAK | HAK | 120.3° | 120.0° |
CAK | CAS | NAL | 118.5° | 120.0° |
CAS | CAK | HAK | 120.3° | 120.0° |
CAS | NAL | CAM | 124.3° | 120.0° |
CAS | NAL | HNAL | 117.9° | 120.0° |
NAL | CAM | OAA | 121.0° | 119.9° |
NAL | CAM | CAT | 116.5° | 120.0° |
CAM | NAL | HNAL | 117.9° | 120.0° |
OAA | CAM | CAT | 122.2° | 120.0° |
CAM | CAT | CAI | 113.8° | 120.2° |
CAM | CAT | CAO | 128.3° | 120.1° |
CAI | CAT | CAO | 117.9° | 119.7° |
CAT | CAI | CAN | 124.6° | 119.8° |
CAT | CAI | HAI | 117.7° | 120.1° |
CAT | CAO | CAH | 117.8° | 119.8° |
CAT | CAO | CLAD | 124.1° | 120.1° |
CAI | CAN | CLAC | 112.0° | 119.9° |
CAI | CAN | CAG | 120.8° | 120.2° |
CAN | CAI | HAI | 117.7° | 120.1° |
CLAC | CAN | CAG | 127.2° | 119.9° |
CAN | CAG | CAH | 117.6° | 120.2° |
CAN | CAG | HAG | 121.2° | 119.9° |
CAG | CAH | CAO | 121.2° | 120.2° |
CAH | CAG | HAG | 121.2° | 119.9° |
CAG | CAH | HAH | 119.4° | 119.9° |
CAH | CAO | CLAD | 118.1° | 120.1° |
CAO | CAH | HAH | 119.4° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAQ | CAJ | CAS | HAJ | 180.0° | 179.7° |
CAJ | CAQ | BRAE | CAP | 179.5° | 180.0° |
CAJ | CAQ | CAP | OAB | 175.8° | 180.0° |
CAJ | CAQ | CAP | CAR | 1.0° | 0.1° |
CAQ | CAJ | CAS | CAK | 1.5° | 0.1° |
CAQ | CAJ | CAS | NAL | 175.6° | 179.9° |
CAS | CAJ | CAQ | BRAE | 178.8° | 180.0° |
CAS | CAJ | CAQ | CAP | 1.7° | 0.0° |
CAJ | CAS | CAK | CAR | 1.6° | 0.2° |
CAJ | CAS | CAK | NAL | 177.2° | 179.8° |
CAJ | CAS | NAL | CAM | 99.5° | 33.3° |
CAJ | CAS | CAK | HAK | 178.4° | 179.9° |
CAJ | CAS | NAL | HNAL | 80.5° | 146.7° |
BRAE | CAQ | CAP | OAB | 3.7° | 0.0° |
BRAE | CAQ | CAP | CAR | 178.4° | 180.0° |
BRAE | CAQ | CAJ | HAJ | 1.2° | 0.3° |
CAQ | CAP | OAB | CAR | 174.3° | 180.0° |
CAQ | CAP | CAR | BRAF | 179.1° | 179.9° |
CAQ | CAP | CAR | CAK | 4.3° | 0.0° |
CAP | CAQ | CAJ | HAJ | 178.2° | 179.8° |
CAQ | CAP | OAB | HOAB | 44.8° | 89.9° |
OAB | CAP | CAR | BRAF | 4.5° | 0.0° |
OAB | CAP | CAR | CAK | 178.9° | 180.0° |
CAP | CAR | BRAF | CAK | 176.9° | 179.9° |
CAP | CAR | CAK | CAS | 4.7° | 0.1° |
CAR | CAP | OAB | HOAB | 140.8° | 90.0° |
CAP | CAR | CAK | HAK | 175.3° | 180.0° |
BRAF | CAR | CAK | CAS | 178.4° | 180.0° |
BRAF | CAR | CAK | HAK | 1.6° | 0.0° |
CAR | CAK | CAS | HAK | 180.0° | 179.9° |
CAR | CAK | CAS | NAL | 178.8° | 180.0° |
CAK | CAS | NAL | CAM | 83.4° | 146.8° |
CAK | CAS | CAJ | HAJ | 178.5° | 179.7° |
CAK | CAS | NAL | HNAL | 96.6° | 33.2° |
CAS | NAL | CAM | HNAL | 180.0° | 180.0° |
CAS | NAL | CAM | OAA | 11.1° | 5.3° |
CAS | NAL | CAM | CAT | 174.9° | 174.7° |
NAL | CAS | CAJ | HAJ | 4.4° | 0.2° |
NAL | CAS | CAK | HAK | 1.1° | 0.1° |
NAL | CAM | OAA | CAT | 173.6° | 180.0° |
NAL | CAM | CAT | CAI | 122.8° | 0.0° |
NAL | CAM | CAT | CAO | 56.5° | 179.7° |
OAA | CAM | CAT | CAI | 51.1° | 180.0° |
OAA | CAM | CAT | CAO | 129.6° | 0.3° |
OAA | CAM | NAL | HNAL | 168.9° | 174.7° |
CAM | CAT | CAI | CAO | 179.4° | 179.7° |
CAM | CAT | CAI | CAN | 179.7° | 180.0° |
CAM | CAT | CAO | CAH | 178.8° | 179.7° |
CAM | CAT | CAO | CLAD | 0.1° | 0.0° |
CAT | CAM | NAL | HNAL | 5.1° | 5.3° |
CAM | CAT | CAI | HAI | 0.3° | 0.0° |
CAT | CAI | CAN | HAI | 180.0° | 180.0° |
CAT | CAI | CAN | CLAC | 177.7° | 180.0° |
CAT | CAI | CAN | CAG | 0.4° | 0.0° |
CAI | CAT | CAO | CAH | 1.9° | 0.6° |
CAI | CAT | CAO | CLAD | 179.2° | 179.7° |
CAO | CAT | CAI | CAN | 0.9° | 0.3° |
CAT | CAO | CAH | CAG | 1.7° | 0.6° |
CAT | CAO | CAH | CLAD | 179.0° | 179.7° |
CAO | CAT | CAI | HAI | 179.1° | 179.7° |
CAT | CAO | CAH | HAH | 178.3° | 179.7° |
CAI | CAN | CLAC | CAG | 177.9° | 179.9° |
CAI | CAN | CAG | CAH | 0.7° | 0.1° |
CAI | CAN | CAG | HAG | 179.3° | 180.0° |
CLAC | CAN | CAG | CAH | 177.1° | 180.0° |
CLAC | CAN | CAI | HAI | 2.3° | 0.1° |
CLAC | CAN | CAG | HAG | 2.9° | 0.1° |
CAN | CAG | CAH | HAG | 180.0° | 179.9° |
CAN | CAG | CAH | CAO | 0.4° | 0.3° |
CAG | CAN | CAI | HAI | 179.6° | 180.0° |
CAN | CAG | CAH | HAH | 179.6° | 180.0° |
CAG | CAH | CAO | HAH | 180.0° | 179.7° |
CAG | CAH | CAO | CLAD | 179.4° | 179.7° |
CAO | CAH | CAG | HAG | 179.6° | 179.7° |
CLAD | CAO | CAH | HAH | 0.6° | 0.0° |
HAG | CAG | CAH | HAH | 0.4° | 0.0° |