FYO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAE | NAA | trip | 1.14Å | 1.13Å | |
OAB | CAO | doub | 1.22Å | 1.36Å | |
OAC | CAP | doub | 1.21Å | 1.37Å | |
CAQ | OAD | doub | 1.22Å | 1.39Å | |
CAR | CAE | sing | 1.43Å | 1.60Å | |
CAO | CAF | sing | 1.46Å | 1.41Å | |
CAF | CAS | doub | 1.35Å | 1.40Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAP | CAG | sing | 1.51Å | 1.41Å | |
CAG | CAS | sing | 1.51Å | 1.41Å | |
CAG | HAG | sing | 1.09Å | 1.10Å | |
CAG | HAGA | sing | 1.09Å | 1.10Å | |
CAT | CAH | doub | 1.38Å | 1.39Å | |
CAH | CAQ | sing | 1.41Å | 1.42Å | |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAT | CAI | sing | 1.41Å | 1.40Å | |
CAI | CAR | doub | 1.36Å | 1.46Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAU | NAJ | sing | 1.36Å | 1.36Å | Aromatic |
NAJ | NAN | sing | 1.29Å | 1.41Å | Aromatic |
NAK | CAO | sing | 1.34Å | 1.36Å | |
NAK | CAP | sing | 1.35Å | 1.36Å | |
NAK | HNAK | sing | 0.97Å | 1.00Å | |
CAQ | NAL | sing | 1.35Å | 1.37Å | |
CAR | NAL | sing | 1.37Å | 1.50Å | |
NAL | HNAL | sing | 0.97Å | 1.00Å | |
CAU | NAM | doub | 1.32Å | 1.38Å | Aromatic |
NAM | CAV | sing | 1.34Å | 1.35Å | Aromatic |
NAN | CAV | doub | 1.32Å | 1.36Å | Aromatic |
CAS | CAU | sing | 1.47Å | 1.49Å | |
CAV | CAT | sing | 1.48Å | 1.47Å | |
NAJ | HNAJ | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAA | CAE | CAR | 124.4° | 179.9° |
OAB | CAO | CAF | 121.7° | 118.5° |
OAB | CAO | NAK | 116.5° | 118.7° |
OAC | CAP | CAG | 122.3° | 120.5° |
OAC | CAP | NAK | 118.5° | 120.5° |
OAD | CAQ | CAH | 120.0° | 119.9° |
OAD | CAQ | NAL | 117.5° | 119.9° |
CAE | CAR | CAI | 120.3° | 119.7° |
CAE | CAR | NAL | 122.1° | 119.6° |
CAO | CAF | CAS | 117.5° | 120.5° |
CAO | CAF | HAF | 121.2° | 119.8° |
CAF | CAO | NAK | 121.8° | 122.8° |
CAS | CAF | HAF | 121.2° | 119.7° |
CAF | CAS | CAG | 120.0° | 117.8° |
CAF | CAS | CAU | 123.1° | 121.1° |
CAP | CAG | CAS | 120.1° | 117.6° |
CAP | CAG | HAG | 106.1° | 107.8° |
CAP | CAG | HAGA | 106.1° | 107.8° |
CAG | CAP | NAK | 119.2° | 119.1° |
CAS | CAG | HAG | 106.0° | 107.8° |
CAS | CAG | HAGA | 106.1° | 107.8° |
CAG | CAS | CAU | 116.9° | 121.1° |
HAG | CAG | HAGA | 112.6° | 107.7° |
CAT | CAH | CAQ | 118.0° | 119.3° |
CAT | CAH | HAH | 121.0° | 120.4° |
CAH | CAT | CAI | 123.2° | 119.1° |
CAH | CAT | CAV | 124.6° | 120.5° |
CAQ | CAH | HAH | 121.0° | 120.3° |
CAH | CAQ | NAL | 122.5° | 120.3° |
CAT | CAI | CAR | 120.0° | 119.7° |
CAT | CAI | HAI | 120.0° | 120.1° |
CAI | CAT | CAV | 112.2° | 120.4° |
CAR | CAI | HAI | 120.0° | 120.2° |
CAI | CAR | NAL | 115.2° | 120.7° |
CAU | NAJ | NAN | 106.0° | 108.1° |
NAJ | CAU | NAM | 109.7° | 107.1° |
NAJ | CAU | CAS | 119.2° | 126.4° |
CAU | NAJ | HNAJ | 127.0° | 126.0° |
NAJ | NAN | CAV | 107.7° | 109.0° |
NAN | NAJ | HNAJ | 127.0° | 125.9° |
CAO | NAK | CAP | 121.4° | 122.3° |
CAO | NAK | HNAK | 119.3° | 118.9° |
CAP | NAK | HNAK | 119.3° | 118.9° |
CAQ | NAL | CAR | 120.4° | 121.0° |
CAQ | NAL | HNAL | 119.8° | 119.5° |
CAR | NAL | HNAL | 119.8° | 119.5° |
CAU | NAM | CAV | 107.1° | 107.3° |
NAM | CAU | CAS | 131.0° | 126.4° |
NAM | CAV | NAN | 109.3° | 108.3° |
NAM | CAV | CAT | 132.2° | 125.8° |
NAN | CAV | CAT | 118.5° | 125.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAA | CAE | CAR | CAI | 156.7° | 2.6° |
NAA | CAE | CAR | NAL | 4.9° | 177.4° |
OAB | CAO | CAF | NAK | 179.8° | 180.0° |
OAB | CAO | CAF | CAS | 179.7° | 180.0° |
OAB | CAO | CAF | HAF | 0.3° | 0.3° |
OAB | CAO | NAK | CAP | 179.5° | 179.3° |
OAB | CAO | NAK | HNAK | 0.4° | 0.0° |
OAC | CAP | CAG | NAK | 179.7° | 179.1° |
OAC | CAP | CAG | CAS | 180.0° | 179.6° |
OAC | CAP | CAG | HAG | 60.0° | 58.3° |
OAC | CAP | CAG | HAGA | 60.0° | 57.7° |
OAC | CAP | NAK | CAO | 179.4° | 180.0° |
OAC | CAP | NAK | HNAK | 0.5° | 0.7° |
OAD | CAQ | CAH | CAT | 179.9° | 179.7° |
OAD | CAQ | CAH | NAL | 178.9° | 180.0° |
OAD | CAQ | CAH | HAH | 0.1° | 0.1° |
OAD | CAQ | NAL | CAR | 175.6° | 179.4° |
OAD | CAQ | NAL | HNAL | 4.4° | 0.1° |
CAE | CAR | CAI | CAT | 171.1° | 179.7° |
CAE | CAR | CAI | NAL | 162.8° | 180.0° |
CAE | CAR | CAI | HAI | 8.9° | 0.1° |
CAE | CAR | NAL | CAQ | 171.2° | 179.4° |
CAE | CAR | NAL | HNAL | 8.8° | 0.1° |
CAO | CAF | CAS | HAF | 180.0° | 179.7° |
CAO | CAF | CAS | CAG | 0.6° | 0.3° |
CAF | CAO | NAK | CAP | 0.6° | 0.7° |
CAF | CAO | NAK | HNAK | 179.4° | 180.0° |
CAO | CAF | CAS | CAU | 178.5° | 179.7° |
CAF | CAS | CAG | CAP | 0.4° | 0.0° |
CAF | CAS | CAG | CAU | 178.0° | 180.0° |
CAF | CAS | CAG | HAG | 119.6° | 122.0° |
CAF | CAS | CAG | HAGA | 120.4° | 122.0° |
CAF | CAS | CAU | NAJ | 170.6° | 0.0° |
CAS | CAF | CAO | NAK | 0.1° | 0.0° |
CAF | CAS | CAU | NAM | 13.2° | 180.0° |
HAF | CAF | CAS | CAG | 179.4° | 180.0° |
HAF | CAF | CAO | NAK | 179.9° | 179.7° |
HAF | CAF | CAS | CAU | 1.5° | 0.0° |
CAP | CAG | CAS | HAG | 120.0° | 122.0° |
CAP | CAG | CAS | HAGA | 120.0° | 122.0° |
CAP | CAG | HAG | HAGA | 115.6° | 116.0° |
CAG | CAP | NAK | CAO | 0.8° | 0.9° |
CAG | CAP | NAK | HNAK | 179.2° | 179.8° |
CAP | CAG | CAS | CAU | 178.4° | 180.0° |
CAS | CAG | HAG | HAGA | 115.6° | 116.1° |
CAG | CAS | CAU | NAJ | 11.4° | 180.0° |
CAS | CAG | CAP | NAK | 0.3° | 0.6° |
CAG | CAS | CAU | NAM | 164.8° | 0.0° |
HAG | CAG | CAP | NAK | 120.3° | 122.6° |
HAG | CAG | CAS | CAU | 58.4° | 58.0° |
HAGA | CAG | CAP | NAK | 119.7° | 121.4° |
HAGA | CAG | CAS | CAU | 61.6° | 58.0° |
CAT | CAH | CAQ | HAH | 180.0° | 179.8° |
CAH | CAT | CAI | CAV | 179.9° | 180.0° |
CAH | CAT | CAI | CAR | 4.7° | 0.0° |
CAH | CAT | CAI | HAI | 175.3° | 179.8° |
CAT | CAH | CAQ | NAL | 1.2° | 0.2° |
CAH | CAT | CAV | NAM | 19.4° | 0.0° |
CAH | CAT | CAV | NAN | 163.3° | 179.5° |
CAQ | CAH | CAT | CAI | 0.8° | 0.0° |
CAH | CAQ | NAL | CAR | 5.4° | 0.5° |
CAH | CAQ | NAL | HNAL | 174.6° | 180.0° |
CAQ | CAH | CAT | CAV | 179.3° | 180.0° |
HAH | CAH | CAT | CAI | 179.2° | 179.8° |
HAH | CAH | CAQ | NAL | 178.8° | 180.0° |
HAH | CAH | CAT | CAV | 0.7° | 0.2° |
CAT | CAI | CAR | HAI | 180.0° | 179.8° |
CAT | CAI | CAR | NAL | 8.3° | 0.3° |
CAI | CAT | CAV | NAM | 160.7° | 180.0° |
CAI | CAT | CAV | NAN | 16.7° | 0.5° |
CAI | CAR | NAL | CAQ | 8.7° | 0.5° |
CAI | CAR | NAL | HNAL | 171.3° | 179.9° |
CAR | CAI | CAT | CAV | 175.3° | 180.0° |
HAI | CAI | CAR | NAL | 171.7° | 179.9° |
HAI | CAI | CAT | CAV | 4.7° | 0.2° |
CAU | NAJ | NAN | HNAJ | 180.0° | 179.7° |
NAJ | CAU | NAM | CAS | 176.5° | 180.0° |
NAJ | CAU | NAM | CAV | 1.5° | 0.2° |
CAU | NAJ | NAN | CAV | 2.4° | 0.3° |
NAN | NAJ | CAU | NAM | 2.4° | 0.0° |
NAJ | NAN | CAV | NAM | 1.5° | 0.4° |
NAN | NAJ | CAU | CAS | 179.3° | 180.0° |
NAJ | NAN | CAV | CAT | 179.5° | 180.0° |
CAO | NAK | CAP | HNAK | 180.0° | 179.3° |
CAQ | NAL | CAR | HNAL | 180.0° | 179.5° |
CAU | NAM | CAV | NAN | 0.1° | 0.4° |
CAU | NAM | CAV | CAT | 177.6° | 180.0° |
NAM | CAU | NAJ | HNAJ | 177.6° | 179.7° |
NAM | CAV | NAN | CAT | 177.9° | 179.6° |
CAV | NAM | CAU | CAS | 178.0° | 179.8° |
CAV | NAN | NAJ | HNAJ | 177.6° | 180.0° |
CAS | CAU | NAJ | HNAJ | 0.6° | 0.3° |