17C
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAN | OAA | sing | 1.35Å | 1.23Å | |
OAA | HOAA | sing | 0.97Å | 0.95Å | |
CAO | OAB | sing | 1.35Å | 1.27Å | |
OAB | HOAB | sing | 0.97Å | 0.95Å | |
OAC | CAN | doub | 1.22Å | 1.23Å | |
OAD | CAO | doub | 1.22Å | 1.24Å | |
CAG | CAE | doub | 1.39Å | 1.38Å | Aromatic |
CAE | CAI | sing | 1.38Å | 1.40Å | Aromatic |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAJ | CAF | doub | 1.38Å | 1.39Å | Aromatic |
CAF | CAH | sing | 1.39Å | 1.39Å | Aromatic |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAK | CAG | sing | 1.38Å | 1.40Å | Aromatic |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAL | CAH | doub | 1.38Å | 1.38Å | Aromatic |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAP | CAI | doub | 1.39Å | 1.39Å | Aromatic |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAQ | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAK | CAR | doub | 1.40Å | 1.38Å | Aromatic |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAS | CAL | sing | 1.40Å | 1.38Å | Aromatic |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAP | NAM | sing | 1.39Å | 1.36Å | |
NAM | CAQ | sing | 1.39Å | 1.38Å | |
NAM | HNAM | sing | 0.97Å | 1.00Å | |
CAN | CAR | sing | 1.47Å | 1.49Å | |
CAO | CAS | sing | 1.47Å | 1.52Å | |
CAR | CAP | sing | 1.40Å | 1.39Å | Aromatic |
CAQ | CAS | doub | 1.40Å | 1.40Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAN | OAA | HOAA | 109.5° | 117.0° |
OAA | CAN | OAC | 124.1° | 120.0° |
OAA | CAN | CAR | 116.1° | 120.0° |
CAO | OAB | HOAB | 109.5° | 117.0° |
OAB | CAO | OAD | 123.4° | 120.0° |
OAB | CAO | CAS | 117.5° | 120.0° |
OAC | CAN | CAR | 119.5° | 120.0° |
OAD | CAO | CAS | 119.1° | 120.0° |
CAG | CAE | CAI | 121.4° | 120.4° |
CAG | CAE | HAE | 119.2° | 119.8° |
CAE | CAG | CAK | 119.4° | 120.4° |
CAE | CAG | HAG | 120.3° | 119.8° |
CAI | CAE | HAE | 119.3° | 119.8° |
CAE | CAI | CAP | 119.8° | 120.0° |
CAE | CAI | HAI | 120.1° | 120.0° |
CAJ | CAF | CAH | 119.7° | 120.4° |
CAJ | CAF | HAF | 120.2° | 119.8° |
CAF | CAJ | CAQ | 122.1° | 120.1° |
CAF | CAJ | HAJ | 119.0° | 119.9° |
CAH | CAF | HAF | 120.2° | 119.8° |
CAF | CAH | CAL | 118.9° | 120.3° |
CAF | CAH | HAH | 120.6° | 119.9° |
CAK | CAG | HAG | 120.3° | 119.8° |
CAG | CAK | CAR | 118.4° | 119.9° |
CAG | CAK | HAK | 120.8° | 120.1° |
CAL | CAH | HAH | 120.6° | 119.8° |
CAH | CAL | CAS | 120.9° | 119.9° |
CAH | CAL | HAL | 119.5° | 120.0° |
CAP | CAI | HAI | 120.1° | 120.0° |
CAI | CAP | NAM | 122.3° | 120.1° |
CAI | CAP | CAR | 117.8° | 119.7° |
CAQ | CAJ | HAJ | 118.9° | 120.0° |
CAJ | CAQ | NAM | 123.1° | 120.2° |
CAJ | CAQ | CAS | 116.7° | 119.6° |
CAR | CAK | HAK | 120.8° | 120.1° |
CAK | CAR | CAN | 118.1° | 120.2° |
CAK | CAR | CAP | 123.1° | 119.6° |
CAS | CAL | HAL | 119.5° | 120.0° |
CAL | CAS | CAO | 115.5° | 120.2° |
CAL | CAS | CAQ | 121.7° | 119.6° |
CAP | NAM | CAQ | 128.5° | 120.0° |
CAP | NAM | HNAM | 115.8° | 120.0° |
NAM | CAP | CAR | 119.8° | 120.2° |
CAQ | NAM | HNAM | 115.8° | 120.0° |
NAM | CAQ | CAS | 120.1° | 120.2° |
CAN | CAR | CAP | 118.7° | 120.2° |
CAO | CAS | CAQ | 122.7° | 120.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAN | OAC | CAR | 174.1° | 179.9° |
OAA | CAN | CAR | CAK | 158.4° | 6.7° |
OAA | CAN | CAR | CAP | 18.9° | 173.5° |
HOAA | OAA | CAN | OAC | 0.0° | 0.1° |
HOAA | OAA | CAN | CAR | 174.3° | 180.0° |
OAB | CAO | OAD | CAS | 179.5° | 180.0° |
OAB | CAO | CAS | CAL | 27.9° | 4.0° |
OAB | CAO | CAS | CAQ | 149.3° | 176.4° |
HOAB | OAB | CAO | OAD | 0.0° | 0.0° |
HOAB | OAB | CAO | CAS | 179.5° | 180.0° |
OAC | CAN | CAR | CAK | 16.2° | 173.3° |
OAC | CAN | CAR | CAP | 166.5° | 6.4° |
OAD | CAO | CAS | CAL | 152.6° | 176.0° |
OAD | CAO | CAS | CAQ | 30.2° | 3.7° |
CAG | CAE | CAI | HAE | 180.0° | 179.8° |
CAE | CAG | CAK | HAG | 180.0° | 179.9° |
CAG | CAE | CAI | CAP | 0.2° | 0.2° |
CAG | CAE | CAI | HAI | 179.8° | 179.7° |
CAE | CAG | CAK | CAR | 1.6° | 0.0° |
CAE | CAG | CAK | HAK | 178.4° | 180.0° |
CAI | CAE | CAG | CAK | 0.7° | 0.0° |
CAI | CAE | CAG | HAG | 179.3° | 179.9° |
CAE | CAI | CAP | HAI | 180.0° | 179.9° |
CAE | CAI | CAP | NAM | 179.4° | 180.0° |
CAE | CAI | CAP | CAR | 0.2° | 0.4° |
HAE | CAE | CAG | CAK | 179.3° | 179.8° |
HAE | CAE | CAG | HAG | 0.7° | 0.3° |
HAE | CAE | CAI | CAP | 179.8° | 180.0° |
HAE | CAE | CAI | HAI | 0.2° | 0.1° |
CAJ | CAF | CAH | HAF | 180.0° | 179.8° |
CAJ | CAF | CAH | CAL | 0.6° | 0.2° |
CAJ | CAF | CAH | HAH | 179.4° | 179.7° |
CAF | CAJ | CAQ | HAJ | 180.0° | 179.9° |
CAF | CAJ | CAQ | NAM | 178.7° | 180.0° |
CAF | CAJ | CAQ | CAS | 0.8° | 0.6° |
CAF | CAH | CAL | HAH | 180.0° | 180.0° |
CAH | CAF | CAJ | CAQ | 0.2° | 0.1° |
CAH | CAF | CAJ | HAJ | 179.8° | 180.0° |
CAF | CAH | CAL | CAS | 1.7° | 0.0° |
CAF | CAH | CAL | HAL | 178.3° | 180.0° |
HAF | CAF | CAH | CAL | 179.4° | 180.0° |
HAF | CAF | CAH | HAH | 0.6° | 0.1° |
HAF | CAF | CAJ | CAQ | 179.8° | 179.7° |
HAF | CAF | CAJ | HAJ | 0.2° | 0.2° |
CAG | CAK | CAR | HAK | 180.0° | 180.0° |
CAG | CAK | CAR | CAN | 178.8° | 180.0° |
CAG | CAK | CAR | CAP | 1.7° | 0.3° |
HAG | CAG | CAK | CAR | 178.4° | 180.0° |
HAG | CAG | CAK | HAK | 1.5° | 0.1° |
CAH | CAL | CAS | HAL | 180.0° | 180.0° |
CAH | CAL | CAS | CAO | 179.6° | 179.8° |
CAH | CAL | CAS | CAQ | 2.4° | 0.6° |
HAH | CAH | CAL | CAS | 178.3° | 180.0° |
HAH | CAH | CAL | HAL | 1.7° | 0.1° |
CAI | CAP | CAR | CAK | 0.8° | 0.4° |
CAI | CAP | NAM | CAR | 179.3° | 179.6° |
CAI | CAP | NAM | CAQ | 6.4° | 32.3° |
CAI | CAP | NAM | HNAM | 173.6° | 147.7° |
CAI | CAP | CAR | CAN | 177.9° | 179.8° |
HAI | CAI | CAP | NAM | 0.6° | 0.1° |
HAI | CAI | CAP | CAR | 179.9° | 179.5° |
CAJ | CAQ | CAS | CAL | 1.9° | 0.9° |
CAJ | CAQ | NAM | CAP | 39.6° | 17.4° |
CAJ | CAQ | NAM | CAS | 177.8° | 179.4° |
CAJ | CAQ | NAM | HNAM | 140.4° | 162.6° |
CAJ | CAQ | CAS | CAO | 178.9° | 179.4° |
HAJ | CAJ | CAQ | NAM | 1.3° | 0.1° |
HAJ | CAJ | CAQ | CAS | 179.2° | 179.5° |
CAK | CAR | CAP | NAM | 178.5° | 179.9° |
CAK | CAR | CAN | CAP | 177.3° | 179.8° |
HAK | CAK | CAR | CAN | 1.2° | 0.0° |
HAK | CAK | CAR | CAP | 178.3° | 179.8° |
CAL | CAS | CAQ | NAM | 179.9° | 179.8° |
CAL | CAS | CAO | CAQ | 177.2° | 179.7° |
HAL | CAL | CAS | CAO | 0.4° | 0.2° |
HAL | CAL | CAS | CAQ | 177.6° | 179.5° |
CAP | NAM | CAQ | HNAM | 180.0° | 180.0° |
NAM | CAP | CAR | CAN | 1.3° | 0.2° |
CAP | NAM | CAQ | CAS | 142.6° | 162.0° |
NAM | CAQ | CAS | CAO | 3.1° | 0.1° |
CAQ | NAM | CAP | CAR | 174.4° | 148.1° |
HNAM | NAM | CAP | CAR | 5.6° | 31.9° |
HNAM | NAM | CAQ | CAS | 37.4° | 18.0° |