702
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | SBF | doub | 1.42Å | 1.48Å | |
OAB | SBF | doub | 1.42Å | 1.48Å | |
OAC | SBF | sing | 1.52Å | 1.48Å | |
OAD | PBE | sing | 1.61Å | 1.51Å | |
OAE | PBE | sing | 1.61Å | 1.51Å | |
OAF | PBE | doub | 1.48Å | 1.51Å | |
CAG | CAH | doub | 1.38Å | 1.39Å | Aromatic |
CAG | CAI | sing | 1.38Å | 1.39Å | Aromatic |
CAH | CAM | sing | 1.38Å | 1.39Å | Aromatic |
CAI | CAN | doub | 1.38Å | 1.39Å | Aromatic |
CAJ | CAK | doub | 1.38Å | 1.39Å | Aromatic |
CAJ | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
CAK | CAR | sing | 1.38Å | 1.39Å | Aromatic |
CAL | CAO | doub | 1.38Å | 1.39Å | Aromatic |
CAL | CAP | sing | 1.38Å | 1.39Å | Aromatic |
CAM | CAZ | doub | 1.38Å | 1.39Å | Aromatic |
CAN | CAZ | sing | 1.38Å | 1.39Å | Aromatic |
CAO | CAY | sing | 1.38Å | 1.39Å | Aromatic |
CAP | CBA | doub | 1.39Å | 1.39Å | Aromatic |
CAQ | CBB | doub | 1.38Å | 1.39Å | Aromatic |
CAR | CBC | doub | 1.39Å | 1.40Å | Aromatic |
CAS | CAY | doub | 1.38Å | 1.39Å | Aromatic |
CAS | CBA | sing | 1.39Å | 1.39Å | Aromatic |
CAT | CAU | sing | 1.53Å | 1.53Å | |
CAT | CAV | sing | 1.53Å | 1.52Å | |
CAU | CAY | sing | 1.51Å | 1.52Å | |
CAV | CBD | sing | 1.53Å | 1.53Å | |
CAW | CAZ | sing | 1.51Å | 1.51Å | |
CAW | CBB | sing | 1.51Å | 1.51Å | |
OAX | CBA | sing | 1.36Å | 1.37Å | |
OAX | CBC | sing | 1.36Å | 1.37Å | |
CBB | CBC | sing | 1.39Å | 1.39Å | Aromatic |
CBD | PBE | sing | 1.82Å | 1.83Å | |
CBD | SBF | sing | 1.81Å | 1.69Å | |
OAC | HOAC | sing | 0.97Å | 0.95Å | |
OAD | HOAD | sing | 0.97Å | 0.95Å | |
OAE | HOAE | sing | 0.97Å | 0.95Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAM | HAM | sing | 1.08Å | 1.08Å | |
CAN | HAN | sing | 1.08Å | 1.08Å | |
CAO | HAO | sing | 1.08Å | 1.08Å | |
CAP | HAP | sing | 1.08Å | 1.08Å | |
CAQ | HAQ | sing | 1.08Å | 1.08Å | |
CAR | HAR | sing | 1.08Å | 1.08Å | |
CAS | HAS | sing | 1.08Å | 1.08Å | |
CAT | HAT | sing | 1.09Å | 1.10Å | |
CAT | HATA | sing | 1.09Å | 1.10Å | |
CAU | HAU | sing | 1.09Å | 1.10Å | |
CAU | HAUA | sing | 1.09Å | 1.10Å | |
CAV | HAV | sing | 1.09Å | 1.10Å | |
CAV | HAVA | sing | 1.09Å | 1.10Å | |
CAW | HAW | sing | 1.09Å | 1.10Å | |
CAW | HAWA | sing | 1.09Å | 1.10Å | |
CBD | HBD | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | SBF | OAB | 100.7° | 121.0° |
OAA | SBF | OAC | 109.3° | 104.3° |
OAA | SBF | CBD | 114.4° | 110.6° |
OAB | SBF | OAC | 110.0° | 104.3° |
OAB | SBF | CBD | 110.2° | 110.5° |
OAC | SBF | CBD | 111.9° | 104.4° |
SBF | OAC | HOAC | 109.5° | 114.0° |
OAD | PBE | OAE | 111.2° | 109.4° |
OAD | PBE | OAF | 115.0° | 109.5° |
OAD | PBE | CBD | 109.9° | 109.5° |
PBE | OAD | HOAD | 109.5° | 114.0° |
OAE | PBE | OAF | 110.4° | 109.5° |
OAE | PBE | CBD | 105.5° | 109.5° |
PBE | OAE | HOAE | 109.5° | 114.0° |
OAF | PBE | CBD | 104.2° | 109.5° |
CAH | CAG | CAI | 121.7° | 120.0° |
CAG | CAH | CAM | 118.3° | 120.0° |
CAH | CAG | HAG | 119.2° | 119.9° |
CAG | CAH | HAH | 120.9° | 120.0° |
CAG | CAI | CAN | 119.9° | 120.0° |
CAI | CAG | HAG | 119.1° | 120.0° |
CAG | CAI | HAI | 120.1° | 120.0° |
CAH | CAM | CAZ | 120.3° | 120.0° |
CAM | CAH | HAH | 120.8° | 120.0° |
CAH | CAM | HAM | 119.8° | 120.0° |
CAI | CAN | CAZ | 118.7° | 120.0° |
CAN | CAI | HAI | 120.0° | 120.0° |
CAI | CAN | HAN | 120.7° | 120.0° |
CAK | CAJ | CAQ | 120.0° | 120.0° |
CAJ | CAK | CAR | 120.0° | 120.1° |
CAK | CAJ | HAJ | 120.0° | 119.9° |
CAJ | CAK | HAK | 120.0° | 119.9° |
CAJ | CAQ | CBB | 120.2° | 120.1° |
CAQ | CAJ | HAJ | 120.0° | 120.0° |
CAJ | CAQ | HAQ | 119.9° | 119.9° |
CAK | CAR | CBC | 120.1° | 119.9° |
CAR | CAK | HAK | 120.0° | 120.0° |
CAK | CAR | HAR | 119.9° | 120.1° |
CAO | CAL | CAP | 119.4° | 120.0° |
CAL | CAO | CAY | 121.3° | 120.1° |
CAO | CAL | HAL | 120.3° | 120.0° |
CAL | CAO | HAO | 119.3° | 119.9° |
CAL | CAP | CBA | 119.4° | 120.0° |
CAP | CAL | HAL | 120.3° | 120.0° |
CAL | CAP | HAP | 120.3° | 120.0° |
CAM | CAZ | CAN | 121.1° | 119.9° |
CAM | CAZ | CAW | 119.1° | 120.0° |
CAZ | CAM | HAM | 119.9° | 119.9° |
CAN | CAZ | CAW | 119.7° | 120.0° |
CAZ | CAN | HAN | 120.6° | 120.0° |
CAO | CAY | CAS | 118.9° | 120.1° |
CAO | CAY | CAU | 120.2° | 120.0° |
CAY | CAO | HAO | 119.4° | 120.0° |
CAP | CBA | CAS | 120.9° | 119.9° |
CAP | CBA | OAX | 121.9° | 120.1° |
CBA | CAP | HAP | 120.3° | 120.1° |
CAQ | CBB | CAW | 118.7° | 120.0° |
CAQ | CBB | CBC | 120.3° | 119.9° |
CBB | CAQ | HAQ | 119.9° | 120.0° |
CAR | CBC | OAX | 120.0° | 120.0° |
CAR | CBC | CBB | 119.5° | 119.9° |
CBC | CAR | HAR | 120.0° | 120.0° |
CAY | CAS | CBA | 120.0° | 119.9° |
CAS | CAY | CAU | 120.9° | 119.9° |
CAY | CAS | HAS | 120.0° | 120.0° |
CAS | CBA | OAX | 117.2° | 120.1° |
CBA | CAS | HAS | 120.0° | 120.1° |
CAU | CAT | CAV | 115.9° | 109.5° |
CAT | CAU | CAY | 105.0° | 109.4° |
CAU | CAT | HAT | 107.4° | 109.5° |
CAU | CAT | HATA | 107.4° | 109.5° |
CAT | CAU | HAU | 111.0° | 109.5° |
CAT | CAU | HAUA | 111.0° | 109.5° |
CAT | CAV | CBD | 112.5° | 109.5° |
CAV | CAT | HAT | 107.4° | 109.5° |
CAV | CAT | HATA | 107.4° | 109.4° |
CAT | CAV | HAV | 108.4° | 109.5° |
CAT | CAV | HAVA | 108.5° | 109.5° |
CAY | CAU | HAU | 111.0° | 109.5° |
CAY | CAU | HAUA | 111.0° | 109.5° |
CAV | CBD | PBE | 105.4° | 109.4° |
CAV | CBD | SBF | 112.4° | 109.5° |
CBD | CAV | HAV | 108.5° | 109.4° |
CBD | CAV | HAVA | 108.5° | 109.5° |
CAV | CBD | HBD | 115.6° | 109.5° |
CAZ | CAW | CBB | 108.1° | 109.5° |
CAZ | CAW | HAW | 109.9° | 109.4° |
CAZ | CAW | HAWA | 109.9° | 109.5° |
CAW | CBB | CBC | 121.0° | 120.1° |
CBB | CAW | HAW | 109.9° | 109.4° |
CBB | CAW | HAWA | 109.9° | 109.5° |
CBA | OAX | CBC | 126.3° | 118.0° |
OAX | CBC | CBB | 120.4° | 120.0° |
PBE | CBD | SBF | 121.1° | 109.5° |
PBE | CBD | HBD | 105.4° | 109.5° |
SBF | CBD | HBD | 97.2° | 109.5° |
HAT | CAT | HATA | 111.5° | 109.5° |
HAU | CAU | HAUA | 107.9° | 109.5° |
HAV | CAV | HAVA | 110.5° | 109.4° |
HAW | CAW | HAWA | 109.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | SBF | OAB | OAC | 115.2° | 116.8° |
OAA | SBF | OAB | CBD | 121.1° | 131.5° |
OAA | SBF | OAC | CBD | 127.7° | 116.1° |
OAA | SBF | CBD | CAV | 25.0° | 68.3° |
OAA | SBF | CBD | PBE | 150.7° | 51.7° |
OAA | SBF | OAC | HOAC | 0.0° | 63.9° |
OAA | SBF | CBD | HBD | 96.5° | 171.7° |
OAB | SBF | OAC | CBD | 122.7° | 116.0° |
OAB | SBF | CBD | CAV | 137.5° | 68.4° |
OAB | SBF | CBD | PBE | 96.8° | 171.6° |
OAB | SBF | OAC | HOAC | 109.6° | 63.9° |
OAB | SBF | CBD | HBD | 16.0° | 51.6° |
OAC | SBF | CBD | CAV | 99.9° | 180.0° |
OAC | SBF | CBD | PBE | 25.8° | 60.0° |
OAC | SBF | CBD | HBD | 138.6° | 60.0° |
OAD | PBE | OAE | OAF | 128.9° | 120.0° |
OAD | PBE | OAE | CBD | 119.1° | 120.0° |
OAD | PBE | OAF | CBD | 120.3° | 120.0° |
OAD | PBE | CBD | CAV | 69.0° | 60.0° |
OAD | PBE | CBD | SBF | 59.9° | 60.0° |
OAD | PBE | OAE | HOAE | 128.9° | 60.0° |
OAD | PBE | CBD | HBD | 168.4° | 180.0° |
OAE | PBE | OAF | CBD | 112.8° | 120.0° |
OAE | PBE | CBD | CAV | 51.0° | 180.0° |
OAE | PBE | CBD | SBF | 179.9° | 60.0° |
OAE | PBE | OAD | HOAD | 126.4° | 60.0° |
OAE | PBE | CBD | HBD | 71.6° | 60.0° |
OAF | PBE | CBD | CAV | 167.3° | 60.0° |
OAF | PBE | CBD | SBF | 63.8° | 180.0° |
OAF | PBE | OAD | HOAD | 0.0° | 60.0° |
OAF | PBE | OAE | HOAE | 0.0° | 180.0° |
OAF | PBE | CBD | HBD | 44.6° | 60.0° |
CAH | CAG | CAI | HAG | 180.0° | 179.6° |
CAG | CAH | CAM | HAH | 180.0° | 179.8° |
CAH | CAG | CAI | CAN | 0.6° | 0.2° |
CAG | CAH | CAM | CAZ | 1.8° | 0.1° |
CAH | CAG | CAI | HAI | 179.4° | 180.0° |
CAG | CAH | CAM | HAM | 178.2° | 180.0° |
CAI | CAG | CAH | CAM | 0.6° | 0.1° |
CAG | CAI | CAN | HAI | 180.0° | 179.8° |
CAG | CAI | CAN | CAZ | 0.6° | 0.1° |
CAI | CAG | CAH | HAH | 179.4° | 179.9° |
CAG | CAI | CAN | HAN | 179.4° | 180.0° |
CAH | CAM | CAZ | HAM | 180.0° | 180.0° |
CAH | CAM | CAZ | CAN | 1.9° | 0.0° |
CAH | CAM | CAZ | CAW | 178.2° | 180.0° |
CAM | CAH | CAG | HAG | 179.4° | 179.8° |
CAI | CAN | CAZ | CAM | 0.7° | 0.1° |
CAI | CAN | CAZ | HAN | 180.0° | 179.9° |
CAI | CAN | CAZ | CAW | 179.4° | 180.0° |
CAN | CAI | CAG | HAG | 179.4° | 179.8° |
CAK | CAJ | CAQ | HAJ | 180.0° | 179.7° |
CAJ | CAK | CAR | HAK | 180.0° | 180.0° |
CAK | CAJ | CAQ | CBB | 2.0° | 0.0° |
CAJ | CAK | CAR | CBC | 0.5° | 0.1° |
CAK | CAJ | CAQ | HAQ | 177.9° | 180.0° |
CAJ | CAK | CAR | HAR | 179.5° | 180.0° |
CAQ | CAJ | CAK | CAR | 1.3° | 0.1° |
CAJ | CAQ | CBB | HAQ | 180.0° | 180.0° |
CAJ | CAQ | CBB | CAW | 179.5° | 180.0° |
CAJ | CAQ | CBB | CBC | 1.1° | 0.0° |
CAQ | CAJ | CAK | HAK | 178.7° | 180.0° |
CAK | CAR | CBC | HAR | 180.0° | 179.9° |
CAK | CAR | CBC | OAX | 178.7° | 180.0° |
CAK | CAR | CBC | CBB | 1.5° | 0.1° |
CAR | CAK | CAJ | HAJ | 178.7° | 179.7° |
CAO | CAL | CAP | HAL | 180.0° | 179.7° |
CAL | CAO | CAY | HAO | 180.0° | 179.9° |
CAO | CAL | CAP | CBA | 0.0° | 0.0° |
CAL | CAO | CAY | CAS | 1.0° | 0.1° |
CAL | CAO | CAY | CAU | 179.8° | 179.9° |
CAO | CAL | CAP | HAP | 180.0° | 180.0° |
CAP | CAL | CAO | CAY | 0.9° | 0.1° |
CAL | CAP | CBA | HAP | 180.0° | 180.0° |
CAL | CAP | CBA | CAS | 0.8° | 0.0° |
CAL | CAP | CBA | OAX | 179.9° | 180.0° |
CAP | CAL | CAO | HAO | 179.1° | 180.0° |
CAM | CAZ | CAN | CAW | 179.9° | 180.0° |
CAM | CAZ | CAW | CBB | 81.8° | 90.0° |
CAZ | CAM | CAH | HAH | 178.2° | 179.8° |
CAM | CAZ | CAN | HAN | 179.3° | 179.9° |
CAM | CAZ | CAW | HAW | 158.2° | 150.0° |
CAM | CAZ | CAW | HAWA | 38.3° | 30.0° |
CAN | CAZ | CAW | CBB | 98.3° | 90.0° |
CAZ | CAN | CAI | HAI | 179.4° | 179.9° |
CAN | CAZ | CAM | HAM | 178.1° | 180.0° |
CAN | CAZ | CAW | HAW | 21.7° | 30.0° |
CAN | CAZ | CAW | HAWA | 141.7° | 149.9° |
CAO | CAY | CAS | CAU | 179.2° | 180.0° |
CAO | CAY | CAS | CBA | 0.2° | 0.0° |
CAO | CAY | CAU | CAT | 83.6° | 90.0° |
CAY | CAO | CAL | HAL | 179.1° | 179.8° |
CAO | CAY | CAS | HAS | 179.8° | 179.9° |
CAO | CAY | CAU | HAU | 36.4° | 30.0° |
CAO | CAY | CAU | HAUA | 156.4° | 150.0° |
CAP | CBA | CAS | CAY | 0.7° | 0.1° |
CAP | CBA | CAS | OAX | 179.3° | 180.0° |
CAP | CBA | OAX | CBC | 13.2° | 67.6° |
CBA | CAP | CAL | HAL | 180.0° | 179.7° |
CAP | CBA | CAS | HAS | 179.3° | 180.0° |
CAQ | CBB | CBC | CAR | 0.7° | 0.1° |
CAQ | CBB | CAW | CAZ | 79.2° | 95.0° |
CAQ | CBB | CAW | CBC | 179.4° | 180.0° |
CAQ | CBB | CBC | OAX | 177.9° | 180.0° |
CBB | CAQ | CAJ | HAJ | 178.0° | 179.7° |
CAQ | CBB | CAW | HAW | 40.8° | 145.0° |
CAQ | CBB | CAW | HAWA | 160.8° | 25.0° |
CAR | CBC | CBB | CAW | 178.7° | 180.0° |
CAR | CBC | OAX | CBA | 91.8° | 6.2° |
CAR | CBC | OAX | CBB | 177.2° | 180.0° |
CBC | CAR | CAK | HAK | 179.5° | 180.0° |
CAY | CAS | CBA | HAS | 180.0° | 179.9° |
CAS | CAY | CAU | CAT | 95.6° | 90.1° |
CAY | CAS | CBA | OAX | 180.0° | 179.9° |
CAS | CAY | CAO | HAO | 179.0° | 179.9° |
CAS | CAY | CAU | HAU | 144.4° | 150.0° |
CAS | CAY | CAU | HAUA | 24.4° | 29.9° |
CBA | CAS | CAY | CAU | 179.4° | 180.0° |
CAS | CBA | OAX | CBC | 166.1° | 112.4° |
CAS | CBA | CAP | HAP | 179.2° | 180.0° |
CAU | CAT | CAV | HAT | 120.0° | 120.1° |
CAU | CAT | CAV | HATA | 120.0° | 120.0° |
CAT | CAU | CAY | HAU | 120.0° | 120.0° |
CAT | CAU | CAY | HAUA | 120.0° | 120.0° |
CAU | CAT | CAV | CBD | 100.2° | 180.0° |
CAU | CAT | HAT | HATA | 117.4° | 120.0° |
CAT | CAU | HAU | HAUA | 121.9° | 120.0° |
CAU | CAT | CAV | HAV | 139.8° | 60.0° |
CAU | CAT | CAV | HAVA | 19.8° | 60.0° |
CAV | CAT | CAU | CAY | 176.5° | 180.0° |
CAT | CAV | CBD | HAV | 120.0° | 120.0° |
CAT | CAV | CBD | HAVA | 120.0° | 120.0° |
CAT | CAV | CBD | PBE | 150.7° | 60.0° |
CAT | CAV | CBD | SBF | 75.4° | 180.0° |
CAV | CAT | HAT | HATA | 117.4° | 119.9° |
CAV | CAT | CAU | HAU | 56.5° | 60.0° |
CAV | CAT | CAU | HAUA | 63.5° | 60.0° |
CAT | CAV | HAV | HAVA | 118.7° | 120.0° |
CAT | CAV | CBD | HBD | 34.8° | 60.0° |
CAU | CAY | CAO | HAO | 0.2° | 0.0° |
CAU | CAY | CAS | HAS | 0.6° | 0.1° |
CAY | CAU | CAT | HAT | 56.5° | 60.0° |
CAY | CAU | CAT | HATA | 63.5° | 60.1° |
CAY | CAU | HAU | HAUA | 121.8° | 120.0° |
CAV | CBD | PBE | SBF | 128.9° | 120.0° |
CAV | CBD | PBE | HBD | 122.7° | 120.0° |
CAV | CBD | SBF | HBD | 121.5° | 120.0° |
CBD | CAV | CAT | HAT | 19.8° | 60.0° |
CBD | CAV | CAT | HATA | 139.8° | 60.0° |
CBD | CAV | HAV | HAVA | 118.8° | 120.0° |
CAZ | CAW | CBB | HAW | 120.0° | 120.0° |
CAZ | CAW | CBB | HAWA | 120.0° | 120.0° |
CAZ | CAW | CBB | CBC | 100.2° | 85.0° |
CAW | CAZ | CAM | HAM | 1.8° | 0.0° |
CAW | CAZ | CAN | HAN | 0.6° | 0.1° |
CAZ | CAW | HAW | HAWA | 120.5° | 120.0° |
CAW | CBB | CBC | OAX | 1.5° | 0.0° |
CAW | CBB | CAQ | HAQ | 0.5° | 0.0° |
CBB | CAW | HAW | HAWA | 120.6° | 120.0° |
CBA | OAX | CBC | CBB | 90.9° | 173.8° |
OAX | CBA | CAP | HAP | 0.1° | 0.0° |
OAX | CBA | CAS | HAS | 0.0° | 0.0° |
OAX | CBC | CAR | HAR | 1.3° | 0.0° |
CBC | CBB | CAQ | HAQ | 178.9° | 180.0° |
CBB | CBC | CAR | HAR | 178.5° | 180.0° |
CBC | CBB | CAW | HAW | 139.8° | 35.0° |
CBC | CBB | CAW | HAWA | 19.8° | 155.0° |
PBE | CBD | SBF | HBD | 112.8° | 120.0° |
CBD | PBE | OAD | HOAD | 117.2° | 179.9° |
CBD | PBE | OAE | HOAE | 112.0° | 60.0° |
PBE | CBD | CAV | HAV | 89.3° | 180.0° |
PBE | CBD | CAV | HAVA | 30.7° | 60.1° |
CBD | SBF | OAC | HOAC | 127.7° | 179.9° |
SBF | CBD | CAV | HAV | 44.6° | 60.0° |
SBF | CBD | CAV | HAVA | 164.6° | 59.9° |
HAG | CAG | CAH | HAH | 0.6° | 0.4° |
HAG | CAG | CAI | HAI | 0.6° | 0.4° |
HAH | CAH | CAM | HAM | 1.8° | 0.2° |
HAI | CAI | CAN | HAN | 0.6° | 0.2° |
HAJ | CAJ | CAK | HAK | 1.3° | 0.3° |
HAJ | CAJ | CAQ | HAQ | 2.0° | 0.3° |
HAK | CAK | CAR | HAR | 0.5° | 0.0° |
HAL | CAL | CAO | HAO | 0.9° | 0.3° |
HAL | CAL | CAP | HAP | 0.0° | 0.3° |
HAT | CAT | CAU | HAU | 63.5° | 60.0° |
HAT | CAT | CAU | HAUA | 176.5° | 180.0° |
HAT | CAT | CAV | HAV | 100.2° | 180.0° |
HAT | CAT | CAV | HAVA | 139.8° | 60.1° |
HATA | CAT | CAU | HAU | 176.5° | 180.0° |
HATA | CAT | CAU | HAUA | 56.5° | 59.9° |
HATA | CAT | CAV | HAV | 19.8° | 60.0° |
HATA | CAT | CAV | HAVA | 100.2° | 179.9° |
HAV | CAV | CBD | HBD | 154.8° | 60.0° |
HAVA | CAV | CBD | HBD | 85.2° | 180.0° |