CJZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAM | OAA | sing | 1.35Å | 1.24Å | |
OAA | HOAA | sing | 0.97Å | 0.95Å | |
OAB | CAM | doub | 1.21Å | 1.26Å | |
CAQ | OAC | sing | 1.36Å | 1.34Å | |
OAC | HOAC | sing | 0.97Å | 0.95Å | |
CAO | CLAD | sing | 1.74Å | 1.74Å | |
CAP | CLAE | sing | 1.74Å | 1.75Å | |
CAG | CAF | doub | 1.39Å | 1.38Å | Aromatic |
CAF | CAH | sing | 1.38Å | 1.41Å | Aromatic |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAI | CAG | sing | 1.38Å | 1.36Å | Aromatic |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAR | CAH | doub | 1.39Å | 1.40Å | Aromatic |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAI | CAS | doub | 1.40Å | 1.36Å | Aromatic |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAN | CAJ | doub | 1.39Å | 1.37Å | Aromatic |
CAJ | CAO | sing | 1.38Å | 1.40Å | Aromatic |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAN | CAK | sing | 1.39Å | 1.37Å | Aromatic |
CAK | CAP | doub | 1.38Å | 1.40Å | Aromatic |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAR | NAL | sing | 1.39Å | 1.40Å | |
NAL | CAN | sing | 1.40Å | 1.37Å | |
NAL | HNAL | sing | 0.97Å | 1.00Å | |
CAM | CAS | sing | 1.47Å | 1.46Å | |
CAO | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
CAP | CAQ | sing | 1.39Å | 1.40Å | Aromatic |
CAS | CAR | sing | 1.41Å | 1.41Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAM | OAA | HOAA | 109.5° | 117.0° |
OAA | CAM | OAB | 124.7° | 120.0° |
OAA | CAM | CAS | 121.2° | 120.0° |
OAB | CAM | CAS | 113.9° | 120.0° |
CAQ | OAC | HOAC | 109.5° | 114.0° |
OAC | CAQ | CAO | 121.1° | 120.0° |
OAC | CAQ | CAP | 121.2° | 120.0° |
CLAD | CAO | CAJ | 119.2° | 120.0° |
CLAD | CAO | CAQ | 120.5° | 120.0° |
CLAE | CAP | CAK | 119.5° | 120.0° |
CLAE | CAP | CAQ | 120.4° | 120.0° |
CAG | CAF | CAH | 122.6° | 120.4° |
CAG | CAF | HAF | 118.7° | 119.8° |
CAF | CAG | CAI | 114.6° | 120.4° |
CAF | CAG | HAG | 122.7° | 119.8° |
CAH | CAF | HAF | 118.7° | 119.8° |
CAF | CAH | CAR | 122.6° | 120.1° |
CAF | CAH | HAH | 118.7° | 119.9° |
CAI | CAG | HAG | 122.7° | 119.8° |
CAG | CAI | CAS | 124.0° | 119.9° |
CAG | CAI | HAI | 118.0° | 120.0° |
CAR | CAH | HAH | 118.7° | 120.0° |
CAH | CAR | NAL | 124.5° | 120.2° |
CAH | CAR | CAS | 112.5° | 119.6° |
CAS | CAI | HAI | 118.0° | 120.1° |
CAI | CAS | CAM | 115.9° | 120.2° |
CAI | CAS | CAR | 123.7° | 119.6° |
CAN | CAJ | CAO | 122.0° | 120.0° |
CAN | CAJ | HAJ | 119.0° | 120.0° |
CAJ | CAN | CAK | 117.8° | 120.0° |
CAJ | CAN | NAL | 121.1° | 120.0° |
CAO | CAJ | HAJ | 119.0° | 120.0° |
CAJ | CAO | CAQ | 120.3° | 120.0° |
CAN | CAK | CAP | 122.0° | 120.0° |
CAN | CAK | HAK | 119.0° | 120.0° |
CAK | CAN | NAL | 121.0° | 120.0° |
CAP | CAK | HAK | 119.0° | 120.0° |
CAK | CAP | CAQ | 120.1° | 120.0° |
CAR | NAL | CAN | 125.1° | 120.0° |
CAR | NAL | HNAL | 117.4° | 120.0° |
NAL | CAR | CAS | 123.1° | 120.2° |
CAN | NAL | HNAL | 117.5° | 120.0° |
CAM | CAS | CAR | 120.4° | 120.2° |
CAO | CAQ | CAP | 117.7° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAM | OAB | CAS | 175.0° | 180.0° |
OAA | CAM | CAS | CAI | 179.5° | 6.4° |
OAA | CAM | CAS | CAR | 0.9° | 173.9° |
HOAA | OAA | CAM | OAB | 0.0° | 0.0° |
HOAA | OAA | CAM | CAS | 174.6° | 180.0° |
OAB | CAM | CAS | CAI | 5.3° | 173.6° |
OAB | CAM | CAS | CAR | 176.1° | 6.2° |
OAC | CAQ | CAO | CLAD | 0.3° | 0.0° |
OAC | CAQ | CAP | CLAE | 0.3° | 0.6° |
OAC | CAQ | CAO | CAJ | 179.8° | 180.0° |
OAC | CAQ | CAP | CAK | 179.7° | 179.5° |
OAC | CAQ | CAO | CAP | 180.0° | 180.0° |
HOAC | OAC | CAQ | CAO | 180.0° | 90.0° |
HOAC | OAC | CAQ | CAP | 0.0° | 90.0° |
CLAD | CAO | CAJ | CAN | 179.8° | 179.7° |
CLAD | CAO | CAJ | CAQ | 179.4° | 180.0° |
CLAD | CAO | CAJ | HAJ | 0.2° | 0.0° |
CLAD | CAO | CAQ | CAP | 179.7° | 180.0° |
CLAE | CAP | CAK | CAN | 179.7° | 179.2° |
CLAE | CAP | CAK | CAQ | 179.4° | 180.0° |
CLAE | CAP | CAK | HAK | 0.3° | 0.1° |
CLAE | CAP | CAQ | CAO | 179.7° | 179.5° |
CAG | CAF | CAH | HAF | 180.0° | 179.7° |
CAF | CAG | CAI | HAG | 180.0° | 179.9° |
CAG | CAF | CAH | CAR | 0.1° | 0.3° |
CAG | CAF | CAH | HAH | 179.8° | 179.7° |
CAF | CAG | CAI | CAS | 1.9° | 0.0° |
CAF | CAG | CAI | HAI | 178.1° | 179.9° |
CAH | CAF | CAG | CAI | 0.4° | 0.0° |
CAH | CAF | CAG | HAG | 179.6° | 179.9° |
CAF | CAH | CAR | HAH | 180.0° | 180.0° |
CAF | CAH | CAR | NAL | 178.1° | 180.0° |
CAF | CAH | CAR | CAS | 1.1° | 0.5° |
HAF | CAF | CAG | CAI | 179.6° | 179.7° |
HAF | CAF | CAG | HAG | 0.4° | 0.4° |
HAF | CAF | CAH | CAR | 179.9° | 180.0° |
HAF | CAF | CAH | HAH | 0.1° | 0.0° |
CAG | CAI | CAS | HAI | 180.0° | 179.9° |
CAG | CAI | CAS | CAM | 178.3° | 180.0° |
CAG | CAI | CAS | CAR | 3.1° | 0.2° |
HAG | CAG | CAI | CAS | 178.2° | 179.9° |
HAG | CAG | CAI | HAI | 1.8° | 0.0° |
CAH | CAR | CAS | CAI | 2.5° | 0.5° |
CAH | CAR | NAL | CAS | 179.1° | 179.5° |
CAH | CAR | NAL | CAN | 2.1° | 102.2° |
CAH | CAR | NAL | HNAL | 177.9° | 77.7° |
CAH | CAR | CAS | CAM | 179.0° | 179.7° |
HAH | CAH | CAR | NAL | 1.9° | 0.0° |
HAH | CAH | CAR | CAS | 178.9° | 179.4° |
CAI | CAS | CAR | NAL | 176.7° | 180.0° |
CAI | CAS | CAM | CAR | 178.6° | 179.8° |
HAI | CAI | CAS | CAM | 1.7° | 0.1° |
HAI | CAI | CAS | CAR | 176.9° | 179.7° |
CAN | CAJ | CAO | HAJ | 180.0° | 179.8° |
CAJ | CAN | CAK | NAL | 179.7° | 180.0° |
CAJ | CAN | CAK | CAP | 0.3° | 0.5° |
CAJ | CAN | CAK | HAK | 179.7° | 179.8° |
CAJ | CAN | NAL | CAR | 48.1° | 175.9° |
CAJ | CAN | NAL | HNAL | 131.9° | 4.0° |
CAN | CAJ | CAO | CAQ | 0.8° | 0.2° |
CAO | CAJ | CAN | CAK | 0.8° | 0.0° |
CAO | CAJ | CAN | NAL | 178.9° | 179.9° |
CAJ | CAO | CAQ | CAP | 0.3° | 0.0° |
HAJ | CAJ | CAN | CAK | 179.2° | 179.8° |
HAJ | CAJ | CAN | NAL | 1.1° | 0.3° |
HAJ | CAJ | CAO | CAQ | 179.2° | 180.0° |
CAN | CAK | CAP | HAK | 180.0° | 179.3° |
CAK | CAN | NAL | CAR | 131.6° | 4.2° |
CAK | CAN | NAL | HNAL | 48.4° | 175.9° |
CAN | CAK | CAP | CAQ | 0.2° | 0.7° |
CAP | CAK | CAN | NAL | 179.4° | 179.5° |
CAK | CAP | CAQ | CAO | 0.2° | 0.5° |
HAK | CAK | CAN | NAL | 0.6° | 0.2° |
HAK | CAK | CAP | CAQ | 179.8° | 180.0° |
CAR | NAL | CAN | HNAL | 180.0° | 179.9° |
NAL | CAR | CAS | CAM | 1.8° | 0.2° |
CAN | NAL | CAR | CAS | 177.1° | 77.2° |
HNAL | NAL | CAR | CAS | 2.9° | 102.8° |