DYY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAZ | CAY | doub | 1.39Å | 1.39Å | Aromatic |
CAY | CAX | sing | 1.38Å | 1.39Å | Aromatic |
CAY | HAY | sing | 1.08Å | 1.08Å | |
OBA | CAZ | sing | 1.36Å | 1.37Å | |
CAZ | CAM | sing | 1.39Å | 1.39Å | Aromatic |
CBB | OBA | sing | 1.43Å | 1.44Å | |
CAO | CBB | sing | 1.53Å | 1.53Å | |
CBB | HBB | sing | 1.09Å | 1.10Å | |
CBB | HBBA | sing | 1.09Å | 1.10Å | |
CAO | OAN | sing | 1.43Å | 1.46Å | |
CAO | HAO | sing | 1.09Å | 1.10Å | |
CAO | HAOA | sing | 1.09Å | 1.10Å | |
OAN | CAM | sing | 1.36Å | 1.37Å | |
CAM | CAL | doub | 1.39Å | 1.40Å | Aromatic |
CAL | CAK | sing | 1.38Å | 1.38Å | Aromatic |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAX | CAK | doub | 1.38Å | 1.38Å | Aromatic |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAX | SAW | sing | 1.76Å | 1.76Å | |
NAV | SAW | sing | 1.66Å | 1.71Å | |
OBD | SAW | doub | 1.42Å | 1.50Å | |
SAW | OAJ | doub | 1.42Å | 1.49Å | |
CAI | NAV | sing | 1.47Å | 1.48Å | |
NAV | CAU | sing | 1.47Å | 1.49Å | |
CAT | CAU | sing | 1.53Å | 1.55Å | |
CAU | HAU | sing | 1.09Å | 1.10Å | |
CAU | HAUA | sing | 1.09Å | 1.10Å | |
NAG | CAT | sing | 1.47Å | 1.48Å | |
CAT | HAT | sing | 1.09Å | 1.10Å | |
CAT | HATA | sing | 1.09Å | 1.10Å | |
CAH | CAI | sing | 1.53Å | 1.54Å | |
CAI | HAI | sing | 1.09Å | 1.10Å | |
CAI | HAIA | sing | 1.09Å | 1.10Å | |
CAH | NAG | sing | 1.47Å | 1.48Å | |
CAH | HAH | sing | 1.09Å | 1.10Å | |
CAH | HAHA | sing | 1.09Å | 1.10Å | |
SAF | NAG | sing | 1.66Å | 1.69Å | |
OAB | SAF | doub | 1.42Å | 1.50Å | |
SAF | OAS | doub | 1.42Å | 1.49Å | |
SAF | CAE | sing | 1.76Å | 1.77Å | |
CAD | CAE | doub | 1.38Å | 1.40Å | Aromatic |
CAE | CAR | sing | 1.38Å | 1.39Å | Aromatic |
FAA | CAD | sing | 1.35Å | 1.36Å | |
CAD | CAC | sing | 1.38Å | 1.40Å | Aromatic |
CAC | CAP | doub | 1.38Å | 1.39Å | Aromatic |
CAC | HAC | sing | 1.08Å | 1.08Å | |
CAP | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
CAP | HAP | sing | 1.08Å | 1.08Å | |
CAR | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
CAQ | HAQ | sing | 1.08Å | 1.08Å | |
CAR | FBC | sing | 1.35Å | 1.34Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAZ | CAY | CAX | 120.7° | 120.1° |
CAZ | CAY | HAY | 119.6° | 119.9° |
CAY | CAZ | OBA | 118.5° | 119.5° |
CAY | CAZ | CAM | 119.7° | 119.8° |
CAX | CAY | HAY | 119.7° | 120.0° |
CAY | CAX | CAK | 119.4° | 120.1° |
CAY | CAX | SAW | 120.3° | 119.9° |
OBA | CAZ | CAM | 121.7° | 120.7° |
CAZ | OBA | CBB | 112.8° | 116.8° |
CAZ | CAM | OAN | 122.4° | 120.8° |
CAZ | CAM | CAL | 119.2° | 119.8° |
OBA | CBB | CAO | 109.8° | 108.2° |
OBA | CBB | HBB | 109.4° | 109.7° |
OBA | CBB | HBBA | 109.3° | 109.7° |
CAO | CBB | HBB | 109.4° | 109.7° |
CAO | CBB | HBBA | 109.3° | 109.8° |
CBB | CAO | OAN | 116.4° | 108.3° |
CBB | CAO | HAO | 107.2° | 109.7° |
CBB | CAO | HAOA | 105.6° | 109.7° |
HBB | CBB | HBBA | 109.7° | 109.8° |
OAN | CAO | HAO | 107.2° | 109.7° |
OAN | CAO | HAOA | 105.6° | 109.7° |
CAO | OAN | CAM | 115.6° | 116.7° |
HAO | CAO | HAOA | 115.1° | 109.7° |
OAN | CAM | CAL | 118.5° | 119.4° |
CAM | CAL | CAK | 120.8° | 120.0° |
CAM | CAL | HAL | 119.6° | 119.9° |
CAK | CAL | HAL | 119.6° | 120.0° |
CAL | CAK | CAX | 120.1° | 120.1° |
CAL | CAK | HAK | 119.9° | 119.9° |
CAX | CAK | HAK | 119.9° | 120.0° |
CAK | CAX | SAW | 120.2° | 119.9° |
CAX | SAW | NAV | 115.7° | 107.2° |
CAX | SAW | OBD | 108.5° | 106.4° |
CAX | SAW | OAJ | 108.1° | 106.4° |
NAV | SAW | OBD | 106.8° | 106.3° |
NAV | SAW | OAJ | 109.4° | 106.4° |
SAW | NAV | CAI | 115.6° | 120.6° |
SAW | NAV | CAU | 112.7° | 120.6° |
OBD | SAW | OAJ | 108.0° | 123.2° |
CAI | NAV | CAU | 109.9° | 118.8° |
NAV | CAI | CAH | 108.7° | 108.6° |
NAV | CAI | HAI | 109.7° | 109.6° |
NAV | CAI | HAIA | 109.9° | 109.7° |
NAV | CAU | CAT | 110.0° | 108.7° |
NAV | CAU | HAU | 109.3° | 109.6° |
NAV | CAU | HAUA | 109.2° | 109.6° |
CAT | CAU | HAU | 109.3° | 109.6° |
CAT | CAU | HAUA | 109.2° | 109.7° |
CAU | CAT | NAG | 107.5° | 108.6° |
CAU | CAT | HAT | 110.1° | 109.7° |
CAU | CAT | HATA | 110.6° | 109.6° |
HAU | CAU | HAUA | 109.9° | 109.6° |
NAG | CAT | HAT | 110.1° | 109.6° |
NAG | CAT | HATA | 110.6° | 109.7° |
CAT | NAG | CAH | 109.1° | 118.7° |
CAT | NAG | SAF | 115.1° | 120.7° |
HAT | CAT | HATA | 108.0° | 109.6° |
CAH | CAI | HAI | 109.7° | 109.6° |
CAH | CAI | HAIA | 109.9° | 109.8° |
CAI | CAH | NAG | 109.2° | 108.6° |
CAI | CAH | HAH | 109.5° | 109.6° |
CAI | CAH | HAHA | 109.6° | 109.6° |
HAI | CAI | HAIA | 108.9° | 109.6° |
NAG | CAH | HAH | 109.6° | 109.7° |
NAG | CAH | HAHA | 109.6° | 109.5° |
CAH | NAG | SAF | 113.6° | 120.6° |
HAH | CAH | HAHA | 109.3° | 109.8° |
NAG | SAF | OAB | 108.9° | 106.4° |
NAG | SAF | OAS | 107.6° | 106.4° |
NAG | SAF | CAE | 115.8° | 107.2° |
OAB | SAF | OAS | 110.1° | 123.2° |
OAB | SAF | CAE | 106.9° | 106.4° |
OAS | SAF | CAE | 107.5° | 106.4° |
SAF | CAE | CAD | 119.6° | 120.0° |
SAF | CAE | CAR | 120.7° | 120.0° |
CAD | CAE | CAR | 119.7° | 119.9° |
CAE | CAD | FAA | 120.1° | 120.0° |
CAE | CAD | CAC | 119.5° | 120.0° |
CAE | CAR | CAQ | 120.8° | 120.0° |
CAE | CAR | FBC | 119.4° | 120.0° |
FAA | CAD | CAC | 120.4° | 120.0° |
CAD | CAC | CAP | 120.7° | 120.0° |
CAD | CAC | HAC | 119.6° | 120.0° |
CAP | CAC | HAC | 119.7° | 120.0° |
CAC | CAP | CAQ | 119.7° | 120.1° |
CAC | CAP | HAP | 120.1° | 120.0° |
CAQ | CAP | HAP | 120.1° | 120.0° |
CAP | CAQ | CAR | 119.6° | 120.1° |
CAP | CAQ | HAQ | 120.2° | 120.0° |
CAR | CAQ | HAQ | 120.2° | 119.9° |
CAQ | CAR | FBC | 119.8° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAZ | CAY | CAX | HAY | 180.0° | 179.7° |
CAY | CAZ | OBA | CAM | 179.8° | 179.7° |
CAY | CAZ | OBA | CBB | 146.9° | 163.0° |
CAY | CAZ | CAM | OAN | 180.0° | 179.7° |
CAY | CAZ | CAM | CAL | 0.4° | 0.1° |
CAZ | CAY | CAX | CAK | 1.3° | 0.0° |
CAZ | CAY | CAX | SAW | 179.4° | 179.7° |
CAX | CAY | CAZ | OBA | 179.3° | 179.6° |
CAX | CAY | CAZ | CAM | 0.5° | 0.1° |
CAY | CAX | CAK | CAL | 1.1° | 0.2° |
CAY | CAX | CAK | SAW | 178.2° | 179.7° |
CAY | CAX | CAK | HAK | 178.9° | 180.0° |
CAY | CAX | SAW | NAV | 92.3° | 90.0° |
CAY | CAX | SAW | OBD | 27.7° | 156.5° |
CAY | CAX | SAW | OAJ | 144.6° | 23.5° |
HAY | CAY | CAZ | OBA | 0.7° | 0.7° |
HAY | CAY | CAZ | CAM | 179.5° | 179.6° |
HAY | CAY | CAX | CAK | 178.8° | 179.7° |
HAY | CAY | CAX | SAW | 0.6° | 0.0° |
CAZ | OBA | CBB | CAO | 52.4° | 46.2° |
CAZ | OBA | CBB | HBB | 172.4° | 165.9° |
CAZ | OBA | CBB | HBBA | 67.5° | 73.5° |
OBA | CAZ | CAM | OAN | 0.2° | 0.6° |
OBA | CAZ | CAM | CAL | 179.8° | 179.6° |
CAM | CAZ | OBA | CBB | 33.3° | 17.3° |
CAZ | CAM | OAN | CAO | 9.4° | 17.5° |
CAZ | CAM | OAN | CAL | 179.6° | 179.9° |
CAZ | CAM | CAL | CAK | 0.6° | 0.0° |
CAZ | CAM | CAL | HAL | 179.4° | 179.8° |
OBA | CBB | CAO | HBB | 120.0° | 119.7° |
OBA | CBB | CAO | HBBA | 119.9° | 119.6° |
OBA | CBB | HBB | HBBA | 119.9° | 120.5° |
OBA | CBB | CAO | OAN | 43.8° | 59.7° |
OBA | CBB | CAO | HAO | 76.2° | 60.0° |
OBA | CBB | CAO | HAOA | 160.6° | 179.4° |
CAO | CBB | HBB | HBBA | 119.9° | 120.7° |
CBB | CAO | OAN | HAO | 120.0° | 119.7° |
CBB | CAO | OAN | HAOA | 116.8° | 119.7° |
CBB | CAO | HAO | HAOA | 117.2° | 120.5° |
CBB | CAO | OAN | CAM | 13.3° | 46.3° |
HBB | CBB | CAO | OAN | 163.8° | 179.4° |
HBB | CBB | CAO | HAO | 43.8° | 59.6° |
HBB | CBB | CAO | HAOA | 79.4° | 60.9° |
HBBA | CBB | CAO | OAN | 76.1° | 59.9° |
HBBA | CBB | CAO | HAO | 163.9° | 179.7° |
HBBA | CBB | CAO | HAOA | 40.7° | 59.8° |
OAN | CAO | HAO | HAOA | 117.1° | 120.6° |
CAO | OAN | CAM | CAL | 170.2° | 162.7° |
HAO | CAO | OAN | CAM | 106.7° | 73.4° |
HAOA | CAO | OAN | CAM | 130.2° | 166.0° |
OAN | CAM | CAL | CAK | 179.8° | 179.8° |
OAN | CAM | CAL | HAL | 0.2° | 0.3° |
CAM | CAL | CAK | HAL | 180.0° | 179.9° |
CAM | CAL | CAK | CAX | 0.2° | 0.1° |
CAM | CAL | CAK | HAK | 179.8° | 180.0° |
CAL | CAK | CAX | HAK | 180.0° | 179.9° |
CAL | CAK | CAX | SAW | 179.3° | 179.6° |
HAL | CAL | CAK | CAX | 179.8° | 180.0° |
HAL | CAL | CAK | HAK | 0.2° | 0.2° |
CAK | CAX | SAW | NAV | 89.5° | 90.2° |
CAK | CAX | SAW | OBD | 150.5° | 23.2° |
CAK | CAX | SAW | OAJ | 33.5° | 156.2° |
HAK | CAK | CAX | SAW | 0.7° | 0.3° |
CAX | SAW | NAV | OBD | 120.9° | 113.5° |
CAX | SAW | NAV | OAJ | 122.4° | 113.5° |
CAX | SAW | OBD | OAJ | 117.0° | 123.0° |
CAX | SAW | NAV | CAI | 49.6° | 90.2° |
CAX | SAW | NAV | CAU | 78.0° | 90.0° |
NAV | SAW | OBD | OAJ | 117.6° | 122.9° |
SAW | NAV | CAI | CAU | 128.9° | 179.8° |
SAW | NAV | CAU | CAT | 169.7° | 124.8° |
SAW | NAV | CAU | HAU | 70.3° | 115.4° |
SAW | NAV | CAU | HAUA | 49.9° | 4.9° |
SAW | NAV | CAI | CAH | 172.5° | 124.7° |
SAW | NAV | CAI | HAI | 52.5° | 5.1° |
SAW | NAV | CAI | HAIA | 67.2° | 115.3° |
OBD | SAW | NAV | CAI | 71.3° | 156.2° |
OBD | SAW | NAV | CAU | 161.1° | 23.6° |
OAJ | SAW | NAV | CAI | 172.0° | 23.3° |
OAJ | SAW | NAV | CAU | 44.4° | 156.5° |
CAI | NAV | CAU | CAT | 59.8° | 55.0° |
CAI | NAV | CAU | HAU | 60.2° | 64.8° |
CAI | NAV | CAU | HAUA | 179.5° | 174.9° |
NAV | CAI | CAH | HAI | 120.0° | 119.7° |
NAV | CAI | CAH | HAIA | 120.3° | 119.9° |
NAV | CAI | HAI | HAIA | 120.3° | 120.4° |
NAV | CAI | CAH | NAG | 60.3° | 49.6° |
NAV | CAI | CAH | HAH | 59.7° | 70.2° |
NAV | CAI | CAH | HAHA | 179.6° | 169.1° |
NAV | CAU | CAT | HAU | 120.0° | 119.8° |
NAV | CAU | CAT | HAUA | 119.8° | 119.8° |
NAV | CAU | HAU | HAUA | 119.8° | 120.3° |
NAV | CAU | CAT | NAG | 61.1° | 49.5° |
NAV | CAU | CAT | HAT | 178.9° | 169.2° |
NAV | CAU | CAT | HATA | 59.7° | 70.4° |
CAU | NAV | CAI | CAH | 58.6° | 55.1° |
CAU | NAV | CAI | HAI | 178.5° | 174.7° |
CAU | NAV | CAI | HAIA | 61.8° | 65.0° |
CAT | CAU | HAU | HAUA | 119.8° | 120.5° |
CAU | CAT | NAG | HAT | 120.0° | 119.8° |
CAU | CAT | NAG | HATA | 120.8° | 119.8° |
CAU | CAT | HAT | HATA | 120.8° | 120.4° |
CAU | CAT | NAG | CAH | 62.7° | 55.5° |
CAU | CAT | NAG | SAF | 168.2° | 124.8° |
HAU | CAU | CAT | NAG | 59.0° | 70.3° |
HAU | CAU | CAT | HAT | 61.1° | 49.4° |
HAU | CAU | CAT | HATA | 179.7° | 169.7° |
HAUA | CAU | CAT | NAG | 179.2° | 169.3° |
HAUA | CAU | CAT | HAT | 59.2° | 71.0° |
HAUA | CAU | CAT | HATA | 60.1° | 49.4° |
NAG | CAT | HAT | HATA | 120.8° | 120.5° |
CAT | NAG | CAH | CAI | 63.3° | 55.5° |
CAT | NAG | CAH | SAF | 129.9° | 179.7° |
CAT | NAG | CAH | HAH | 56.7° | 64.3° |
CAT | NAG | CAH | HAHA | 176.6° | 175.2° |
CAT | NAG | SAF | OAB | 173.3° | 156.2° |
CAT | NAG | SAF | OAS | 67.4° | 23.3° |
CAT | NAG | SAF | CAE | 52.8° | 90.2° |
HAT | CAT | NAG | CAH | 177.3° | 175.3° |
HAT | CAT | NAG | SAF | 48.2° | 5.0° |
HATA | CAT | NAG | CAH | 58.1° | 64.3° |
HATA | CAT | NAG | SAF | 71.0° | 115.4° |
CAH | CAI | HAI | HAIA | 120.3° | 120.5° |
CAI | CAH | NAG | HAH | 120.0° | 119.8° |
CAI | CAH | NAG | HAHA | 120.1° | 119.6° |
CAI | CAH | HAH | HAHA | 120.1° | 120.5° |
CAI | CAH | NAG | SAF | 166.8° | 124.7° |
HAI | CAI | CAH | NAG | 179.7° | 169.3° |
HAI | CAI | CAH | HAH | 60.3° | 49.5° |
HAI | CAI | CAH | HAHA | 59.6° | 71.2° |
HAIA | CAI | CAH | NAG | 60.0° | 70.3° |
HAIA | CAI | CAH | HAH | 179.9° | 169.8° |
HAIA | CAI | CAH | HAHA | 60.1° | 49.2° |
NAG | CAH | HAH | HAHA | 120.1° | 120.3° |
CAH | NAG | SAF | OAB | 46.4° | 23.5° |
CAH | NAG | SAF | OAS | 165.7° | 156.4° |
CAH | NAG | SAF | CAE | 74.1° | 90.0° |
HAH | CAH | NAG | SAF | 73.2° | 115.4° |
HAHA | CAH | NAG | SAF | 46.7° | 5.1° |
NAG | SAF | OAB | OAS | 117.7° | 122.9° |
NAG | SAF | OAB | CAE | 125.8° | 114.1° |
NAG | SAF | OAS | CAE | 125.4° | 114.1° |
NAG | SAF | CAE | CAD | 93.4° | 89.8° |
NAG | SAF | CAE | CAR | 88.8° | 90.0° |
OAB | SAF | OAS | CAE | 116.1° | 123.0° |
OAB | SAF | CAE | CAD | 28.1° | 23.8° |
OAB | SAF | CAE | CAR | 149.7° | 156.4° |
OAS | SAF | CAE | CAD | 146.3° | 156.7° |
OAS | SAF | CAE | CAR | 31.5° | 23.5° |
SAF | CAE | CAD | CAR | 177.8° | 179.8° |
SAF | CAE | CAD | FAA | 1.8° | 0.1° |
SAF | CAE | CAD | CAC | 179.3° | 180.0° |
SAF | CAE | CAR | CAQ | 179.5° | 179.7° |
SAF | CAE | CAR | FBC | 1.6° | 0.0° |
CAE | CAD | FAA | CAC | 178.9° | 179.9° |
CAE | CAD | CAC | CAP | 0.9° | 0.1° |
CAE | CAD | CAC | HAC | 179.2° | 180.0° |
CAD | CAE | CAR | CAQ | 1.7° | 0.5° |
CAD | CAE | CAR | FBC | 179.4° | 179.7° |
CAR | CAE | CAD | FAA | 179.6° | 179.7° |
CAR | CAE | CAD | CAC | 1.5° | 0.2° |
CAE | CAR | CAQ | CAP | 1.2° | 0.5° |
CAE | CAR | CAQ | FBC | 178.9° | 179.8° |
CAE | CAR | CAQ | HAQ | 178.8° | 179.7° |
FAA | CAD | CAC | CAP | 179.8° | 180.0° |
FAA | CAD | CAC | HAC | 0.3° | 0.2° |
CAD | CAC | CAP | HAC | 180.0° | 179.9° |
CAD | CAC | CAP | CAQ | 0.4° | 0.1° |
CAD | CAC | CAP | HAP | 179.6° | 179.9° |
CAC | CAP | CAQ | HAP | 180.0° | 180.0° |
CAC | CAP | CAQ | CAR | 0.5° | 0.2° |
CAC | CAP | CAQ | HAQ | 179.4° | 180.0° |
HAC | CAC | CAP | CAQ | 179.6° | 179.9° |
HAC | CAC | CAP | HAP | 0.4° | 0.0° |
CAP | CAQ | CAR | HAQ | 180.0° | 179.8° |
CAP | CAQ | CAR | FBC | 179.9° | 179.7° |
HAP | CAP | CAQ | CAR | 179.5° | 179.8° |
HAP | CAP | CAQ | HAQ | 0.6° | 0.0° |
HAQ | CAQ | CAR | FBC | 0.1° | 0.1° |