YIY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAR | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAR | NBG | doub | 1.32Å | 1.33Å | Aromatic |
| CAO | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| NBG | CAT | sing | 1.32Å | 1.36Å | Aromatic |
| CAT | CAQ | doub | 1.39Å | 1.43Å | Aromatic |
| CAQ | OAY | sing | 1.36Å | 1.32Å | |
| CAQ | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| OAY | CBC | sing | 1.36Å | 1.32Å | |
| CBC | CAK | doub | 1.39Å | 1.44Å | Aromatic |
| CBC | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CBB | doub | 1.39Å | 1.41Å | Aromatic |
| CAJ | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CBB | sing | 1.39Å | 1.42Å | Aromatic |
| CBB | NAV | sing | 1.40Å | 1.40Å | |
| NAV | CAZ | sing | 1.35Å | 1.34Å | |
| CAZ | OAE | doub | 1.22Å | 1.20Å | |
| CAZ | NAW | sing | 1.34Å | 1.35Å | |
| NAW | CBE | doub | 1.33Å | 1.44Å | |
| CBE | CAN | sing | 1.41Å | 1.39Å | |
| CBE | NBH | sing | 1.38Å | 1.39Å | |
| CAN | CBF | doub | 1.35Å | 1.41Å | |
| CBF | CBI | sing | 1.51Å | 1.53Å | |
| CBF | NAU | sing | 1.37Å | 1.32Å | |
| CBI | CAC | sing | 1.53Å | 1.52Å | |
| CBI | CAD | sing | 1.53Å | 1.51Å | |
| CBI | CAB | sing | 1.53Å | 1.54Å | |
| NAU | NBH | sing | 1.40Å | 1.38Å | |
| NBH | CBD | sing | 1.40Å | 1.37Å | |
| CBD | CAL | sing | 1.39Å | 1.42Å | Aromatic |
| CBD | CAM | doub | 1.39Å | 1.37Å | Aromatic |
| CAL | CAF | doub | 1.38Å | 1.42Å | Aromatic |
| CAF | CBA | sing | 1.38Å | 1.41Å | Aromatic |
| CBA | CAG | doub | 1.38Å | 1.43Å | Aromatic |
| CAG | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | F32 | sing | 1.35Å | 1.34Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAV | HAV | sing | 0.97Å | 1.00Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| NAU | HAU | sing | 0.97Å | 1.00Å | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CAC | HAC3 | sing | 1.09Å | 1.10Å | |
| CAD | HAD1 | sing | 1.09Å | 1.10Å | |
| CAD | HAD2 | sing | 1.09Å | 1.10Å | |
| CAD | HAD3 | sing | 1.09Å | 1.10Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CBA | HBA | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | CAR | NBG | 120.8° | 120.9° |
| CAR | CAO | C18 | 120.5° | 119.2° |
| CAO | CAR | HAR | 119.6° | 119.5° |
| CAR | CAO | HAO | 119.7° | 120.4° |
| CAR | NBG | CAT | 121.6° | 121.8° |
| NBG | CAR | HAR | 119.6° | 119.6° |
| CAO | C18 | CAQ | 117.3° | 118.3° |
| C18 | CAO | HAO | 119.7° | 120.4° |
| CAO | C18 | H18 | 121.3° | 120.8° |
| NBG | CAT | CAQ | 119.4° | 120.7° |
| NBG | CAT | HAT | 120.3° | 119.7° |
| CAT | CAQ | OAY | 120.3° | 120.5° |
| CAT | CAQ | C18 | 120.3° | 119.1° |
| CAQ | CAT | HAT | 120.3° | 119.7° |
| OAY | CAQ | C18 | 119.4° | 120.5° |
| CAQ | OAY | CBC | 124.0° | 118.0° |
| CAQ | C18 | H18 | 121.3° | 120.8° |
| OAY | CBC | CAK | 115.9° | 120.0° |
| OAY | CBC | CAJ | 122.5° | 119.9° |
| CAK | CBC | CAJ | 121.5° | 120.0° |
| CBC | CAK | CAI | 119.6° | 120.0° |
| CBC | CAK | HAK | 120.2° | 120.0° |
| CBC | CAJ | CAH | 117.8° | 120.0° |
| CBC | CAJ | HAJ | 121.1° | 120.0° |
| CAK | CAI | CBB | 119.3° | 120.0° |
| CAI | CAK | HAK | 120.2° | 120.0° |
| CAK | CAI | HAI | 120.3° | 120.0° |
| CAI | CBB | CAH | 119.9° | 119.9° |
| CAI | CBB | NAV | 115.3° | 120.0° |
| CBB | CAI | HAI | 120.4° | 120.0° |
| CAJ | CAH | CBB | 122.0° | 120.0° |
| CAH | CAJ | HAJ | 121.1° | 120.0° |
| CAJ | CAH | HAH | 119.0° | 120.0° |
| CAH | CBB | NAV | 124.9° | 120.0° |
| CBB | CAH | HAH | 119.0° | 120.0° |
| CBB | NAV | CAZ | 129.9° | 120.0° |
| CBB | NAV | HAV | 115.1° | 120.0° |
| NAV | CAZ | OAE | 120.6° | 120.0° |
| NAV | CAZ | NAW | 120.2° | 120.0° |
| CAZ | NAV | HAV | 115.1° | 120.0° |
| OAE | CAZ | NAW | 118.9° | 120.0° |
| CAZ | NAW | CBE | 127.7° | 120.0° |
| NAW | CBE | CAN | 128.9° | 126.4° |
| NAW | CBE | NBH | 125.5° | 126.4° |
| CAN | CBE | NBH | 105.6° | 107.2° |
| CBE | CAN | CBF | 108.1° | 108.2° |
| CBE | CAN | HAN | 126.0° | 125.9° |
| CBE | NBH | NAU | 108.7° | 107.2° |
| CBE | NBH | CBD | 128.2° | 126.4° |
| CAN | CBF | CBI | 127.3° | 125.5° |
| CAN | CBF | NAU | 107.9° | 109.0° |
| CBF | CAN | HAN | 125.9° | 125.9° |
| CBI | CBF | NAU | 124.8° | 125.5° |
| CBF | CBI | CAC | 116.0° | 109.5° |
| CBF | CBI | CAD | 104.4° | 109.5° |
| CBF | CBI | CAB | 109.5° | 109.4° |
| CBF | NAU | NBH | 109.6° | 108.3° |
| CBF | NAU | HAU | 109.4° | 125.8° |
| CAC | CBI | CAD | 107.0° | 109.5° |
| CAC | CBI | CAB | 103.3° | 109.5° |
| CBI | CAC | HAC1 | 109.5° | 109.4° |
| CBI | CAC | HAC2 | 109.5° | 109.4° |
| CBI | CAC | HAC3 | 109.5° | 109.5° |
| CAD | CBI | CAB | 117.1° | 109.4° |
| CBI | CAD | HAD1 | 109.5° | 109.5° |
| CBI | CAD | HAD2 | 109.5° | 109.5° |
| CBI | CAD | HAD3 | 109.5° | 109.5° |
| CBI | CAB | HAB1 | 109.5° | 109.5° |
| CBI | CAB | HAB2 | 109.5° | 109.5° |
| CBI | CAB | HAB3 | 109.4° | 109.5° |
| NAU | NBH | CBD | 122.5° | 126.4° |
| NBH | NAU | HAU | 109.4° | 125.9° |
| NBH | CBD | CAL | 121.3° | 120.0° |
| NBH | CBD | CAM | 118.2° | 120.1° |
| CAL | CBD | CAM | 120.4° | 119.9° |
| CBD | CAL | CAF | 121.4° | 119.9° |
| CBD | CAL | HAL | 119.3° | 120.1° |
| CBD | CAM | CAG | 118.9° | 119.9° |
| CBD | CAM | HAM | 120.5° | 120.0° |
| CAL | CAF | CBA | 118.1° | 120.1° |
| CAF | CAL | HAL | 119.3° | 120.0° |
| CAL | CAF | HAF | 121.0° | 119.9° |
| CAF | CBA | CAG | 119.0° | 120.1° |
| CBA | CAF | HAF | 121.0° | 119.9° |
| CAF | CBA | HBA | 120.5° | 119.9° |
| CBA | CAG | CAM | 122.1° | 120.0° |
| CBA | CAG | F32 | 123.4° | 120.0° |
| CAG | CBA | HBA | 120.5° | 119.9° |
| CAM | CAG | F32 | 114.5° | 119.9° |
| CAG | CAM | HAM | 120.6° | 120.1° |
| HAC1 | CAC | HAC2 | 109.5° | 109.5° |
| HAC1 | CAC | HAC3 | 109.5° | 109.5° |
| HAC2 | CAC | HAC3 | 109.5° | 109.5° |
| HAD1 | CAD | HAD2 | 109.5° | 109.5° |
| HAD1 | CAD | HAD3 | 109.5° | 109.5° |
| HAD2 | CAD | HAD3 | 109.5° | 109.4° |
| HAB1 | CAB | HAB2 | 109.5° | 109.4° |
| HAB1 | CAB | HAB3 | 109.5° | 109.5° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | CAR | NBG | HAR | 180.0° | 179.8° |
| CAR | CAO | C18 | HAO | 180.0° | 179.9° |
| CAO | CAR | NBG | CAT | 0.8° | 0.0° |
| CAR | CAO | C18 | CAQ | 2.5° | 0.0° |
| CAR | CAO | C18 | H18 | 177.5° | 180.0° |
| NBG | CAR | CAO | C18 | 2.3° | 0.0° |
| CAR | NBG | CAT | CAQ | 0.3° | 0.0° |
| NBG | CAR | CAO | HAO | 177.7° | 180.0° |
| CAR | NBG | CAT | HAT | 179.7° | 180.0° |
| CAO | C18 | CAQ | CAT | 1.4° | 0.0° |
| CAO | C18 | CAQ | OAY | 179.3° | 179.9° |
| CAO | C18 | CAQ | H18 | 180.0° | 180.0° |
| C18 | CAO | CAR | HAR | 177.7° | 179.7° |
| NBG | CAT | CAQ | HAT | 180.0° | 180.0° |
| NBG | CAT | CAQ | OAY | 179.3° | 179.9° |
| NBG | CAT | CAQ | C18 | 0.1° | 0.0° |
| CAT | NBG | CAR | HAR | 179.2° | 179.7° |
| CAT | CAQ | OAY | C18 | 179.2° | 179.9° |
| CAT | CAQ | OAY | CBC | 110.3° | 175.1° |
| CAT | CAQ | C18 | H18 | 178.6° | 180.0° |
| CAQ | OAY | CBC | CAK | 139.1° | 104.5° |
| CAQ | OAY | CBC | CAJ | 43.3° | 75.7° |
| OAY | CAQ | C18 | H18 | 0.7° | 0.1° |
| OAY | CAQ | CAT | HAT | 0.7° | 0.1° |
| C18 | CAQ | OAY | CBC | 70.5° | 4.9° |
| CAQ | C18 | CAO | HAO | 177.5° | 180.0° |
| C18 | CAQ | CAT | HAT | 179.9° | 180.0° |
| OAY | CBC | CAK | CAJ | 177.6° | 179.8° |
| OAY | CBC | CAK | CAI | 176.3° | 180.0° |
| OAY | CBC | CAJ | CAH | 175.9° | 180.0° |
| OAY | CBC | CAK | HAK | 3.7° | 0.0° |
| OAY | CBC | CAJ | HAJ | 4.0° | 0.0° |
| CBC | CAK | CAI | HAK | 180.0° | 179.9° |
| CBC | CAK | CAI | CBB | 0.1° | 0.0° |
| CAK | CBC | CAJ | CAH | 1.5° | 0.2° |
| CAK | CBC | CAJ | HAJ | 178.5° | 179.8° |
| CBC | CAK | CAI | HAI | 179.9° | 179.9° |
| CAJ | CBC | CAK | CAI | 1.3° | 0.2° |
| CBC | CAJ | CAH | HAJ | 180.0° | 180.0° |
| CBC | CAJ | CAH | CBB | 0.3° | 0.0° |
| CAJ | CBC | CAK | HAK | 178.7° | 179.7° |
| CBC | CAJ | CAH | HAH | 179.7° | 180.0° |
| CAK | CAI | CBB | HAI | 180.0° | 180.0° |
| CAK | CAI | CBB | CAH | 1.3° | 0.3° |
| CAK | CAI | CBB | NAV | 179.4° | 179.9° |
| CAI | CBB | CAH | CAJ | 1.1° | 0.3° |
| CAI | CBB | CAH | NAV | 179.2° | 179.8° |
| CAI | CBB | NAV | CAZ | 179.0° | 35.3° |
| CBB | CAI | CAK | HAK | 179.9° | 180.0° |
| CAI | CBB | CAH | HAH | 178.9° | 179.8° |
| CAI | CBB | NAV | HAV | 0.9° | 144.6° |
| CAJ | CAH | CBB | HAH | 180.0° | 180.0° |
| CAJ | CAH | CBB | NAV | 179.7° | 180.0° |
| CAH | CBB | NAV | CAZ | 0.2° | 144.9° |
| CBB | CAH | CAJ | HAJ | 179.7° | 180.0° |
| CAH | CBB | CAI | HAI | 178.7° | 179.7° |
| CAH | CBB | NAV | HAV | 179.8° | 35.1° |
| CBB | NAV | CAZ | HAV | 180.0° | 180.0° |
| CBB | NAV | CAZ | OAE | 4.5° | 4.4° |
| CBB | NAV | CAZ | NAW | 177.5° | 175.6° |
| NAV | CBB | CAI | HAI | 0.6° | 0.1° |
| NAV | CBB | CAH | HAH | 0.3° | 0.0° |
| NAV | CAZ | OAE | NAW | 173.1° | 180.0° |
| NAV | CAZ | NAW | CBE | 177.5° | 180.0° |
| OAE | CAZ | NAW | CBE | 9.3° | 0.0° |
| OAE | CAZ | NAV | HAV | 175.5° | 175.6° |
| CAZ | NAW | CBE | CAN | 9.9° | 0.1° |
| CAZ | NAW | CBE | NBH | 172.0° | 179.7° |
| NAW | CAZ | NAV | HAV | 2.5° | 4.5° |
| NAW | CBE | CAN | NBH | 178.4° | 179.7° |
| NAW | CBE | CAN | CBF | 179.5° | 180.0° |
| NAW | CBE | NBH | NAU | 179.2° | 179.9° |
| NAW | CBE | NBH | CBD | 7.5° | 0.0° |
| NAW | CBE | CAN | HAN | 0.6° | 0.1° |
| CBE | CAN | CBF | HAN | 180.0° | 179.9° |
| CBE | CAN | CBF | CBI | 178.8° | 180.0° |
| CBE | CAN | CBF | NAU | 0.6° | 0.0° |
| CAN | CBE | NBH | NAU | 2.3° | 0.4° |
| CAN | CBE | NBH | CBD | 174.0° | 179.7° |
| NBH | CBE | CAN | CBF | 1.0° | 0.3° |
| CBE | NBH | NAU | CBF | 2.8° | 0.4° |
| CBE | NBH | NAU | CBD | 172.3° | 179.9° |
| CBE | NBH | CBD | CAL | 41.0° | 0.0° |
| CBE | NBH | CBD | CAM | 141.4° | 179.8° |
| NBH | CBE | CAN | HAN | 179.0° | 179.8° |
| CBE | NBH | NAU | HAU | 117.2° | 179.8° |
| CAN | CBF | CBI | NAU | 179.4° | 179.9° |
| CAN | CBF | CBI | CAC | 154.5° | 0.1° |
| CAN | CBF | CBI | CAD | 88.0° | 120.0° |
| CAN | CBF | CBI | CAB | 38.1° | 120.1° |
| CAN | CBF | NAU | NBH | 2.1° | 0.2° |
| CAN | CBF | NAU | HAU | 117.9° | 180.0° |
| CBF | CBI | CAC | CAD | 116.0° | 120.0° |
| CBF | CBI | CAC | CAB | 119.8° | 120.0° |
| CBF | CBI | CAD | CAB | 121.2° | 120.0° |
| CBI | CBF | NAU | NBH | 177.4° | 179.7° |
| CBI | CBF | CAN | HAN | 1.2° | 0.1° |
| CBI | CBF | NAU | HAU | 62.6° | 0.1° |
| CBF | CBI | CAC | HAC1 | 180.0° | 60.0° |
| CBF | CBI | CAC | HAC2 | 60.0° | 180.0° |
| CBF | CBI | CAC | HAC3 | 60.0° | 60.0° |
| CBF | CBI | CAD | HAD1 | 180.0° | 60.0° |
| CBF | CBI | CAD | HAD2 | 60.0° | 180.0° |
| CBF | CBI | CAD | HAD3 | 60.0° | 60.1° |
| CBF | CBI | CAB | HAB1 | 180.0° | 60.0° |
| CBF | CBI | CAB | HAB2 | 60.0° | 180.0° |
| CBF | CBI | CAB | HAB3 | 60.0° | 60.0° |
| NAU | CBF | CBI | CAC | 26.1° | 180.0° |
| NAU | CBF | CBI | CAD | 91.4° | 60.0° |
| NAU | CBF | CBI | CAB | 142.5° | 60.0° |
| CBF | NAU | NBH | HAU | 120.0° | 179.8° |
| CBF | NAU | NBH | CBD | 175.1° | 179.7° |
| NAU | CBF | CAN | HAN | 179.4° | 180.0° |
| CAC | CBI | CAD | CAB | 115.3° | 120.0° |
| CBI | CAC | HAC1 | HAC2 | 120.0° | 119.9° |
| CBI | CAC | HAC1 | HAC3 | 120.0° | 120.0° |
| CBI | CAC | HAC2 | HAC3 | 120.0° | 120.0° |
| CAC | CBI | CAD | HAD1 | 56.5° | 180.0° |
| CAC | CBI | CAD | HAD2 | 176.5° | 60.0° |
| CAC | CBI | CAD | HAD3 | 63.5° | 60.0° |
| CAC | CBI | CAB | HAB1 | 55.8° | 60.0° |
| CAC | CBI | CAB | HAB2 | 64.2° | 60.0° |
| CAC | CBI | CAB | HAB3 | 175.8° | 180.0° |
| CAD | CBI | CAC | HAC1 | 63.9° | 60.0° |
| CAD | CBI | CAC | HAC2 | 56.1° | 60.0° |
| CAD | CBI | CAC | HAC3 | 176.1° | 180.0° |
| CBI | CAD | HAD1 | HAD2 | 120.0° | 120.0° |
| CBI | CAD | HAD1 | HAD3 | 120.0° | 120.0° |
| CBI | CAD | HAD2 | HAD3 | 120.0° | 120.0° |
| CAD | CBI | CAB | HAB1 | 61.5° | 180.0° |
| CAD | CBI | CAB | HAB2 | 178.5° | 60.0° |
| CAD | CBI | CAB | HAB3 | 58.5° | 60.0° |
| CAB | CBI | CAC | HAC1 | 60.2° | 180.0° |
| CAB | CBI | CAC | HAC2 | 179.8° | 60.0° |
| CAB | CBI | CAC | HAC3 | 59.8° | 60.0° |
| CAB | CBI | CAD | HAD1 | 58.8° | 60.0° |
| CAB | CBI | CAD | HAD2 | 61.2° | 60.0° |
| CAB | CBI | CAD | HAD3 | 178.8° | 180.0° |
| CBI | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| CBI | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| CBI | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| NAU | NBH | CBD | CAL | 129.7° | 179.8° |
| NAU | NBH | CBD | CAM | 47.9° | 0.1° |
| NBH | CBD | CAL | CAM | 177.5° | 179.8° |
| NBH | CBD | CAL | CAF | 179.8° | 180.0° |
| NBH | CBD | CAM | CAG | 178.3° | 179.8° |
| CBD | NBH | NAU | HAU | 55.1° | 0.1° |
| NBH | CBD | CAL | HAL | 0.2° | 0.0° |
| NBH | CBD | CAM | HAM | 1.6° | 0.0° |
| CBD | CAL | CAF | HAL | 180.0° | 180.0° |
| CBD | CAL | CAF | CBA | 2.0° | 0.0° |
| CAL | CBD | CAM | CAG | 0.7° | 0.5° |
| CAL | CBD | CAM | HAM | 179.3° | 179.7° |
| CBD | CAL | CAF | HAF | 178.0° | 179.9° |
| CAM | CBD | CAL | CAF | 2.2° | 0.2° |
| CBD | CAM | CAG | CBA | 0.9° | 0.5° |
| CBD | CAM | CAG | HAM | 180.0° | 179.8° |
| CBD | CAM | CAG | F32 | 180.0° | 179.8° |
| CAM | CBD | CAL | HAL | 177.8° | 179.8° |
| CAL | CAF | CBA | HAF | 180.0° | 179.9° |
| CAL | CAF | CBA | CAG | 0.3° | 0.0° |
| CAL | CAF | CBA | HBA | 179.7° | 180.0° |
| CAF | CBA | CAG | HBA | 180.0° | 180.0° |
| CAF | CBA | CAG | CAM | 1.1° | 0.3° |
| CAF | CBA | CAG | F32 | 179.9° | 180.0° |
| CBA | CAF | CAL | HAL | 178.0° | 180.0° |
| CBA | CAG | CAM | F32 | 179.1° | 179.7° |
| CBA | CAG | CAM | HAM | 179.1° | 179.7° |
| CAG | CBA | CAF | HAF | 179.7° | 179.9° |
| CAM | CAG | CBA | HBA | 178.9° | 179.8° |
| F32 | CAG | CAM | HAM | 0.0° | 0.0° |
| F32 | CAG | CBA | HBA | 0.1° | 0.1° |
| HAR | CAR | CAO | HAO | 2.3° | 0.2° |
| HAO | CAO | C18 | H18 | 2.5° | 0.0° |
| HAK | CAK | CAI | HAI | 0.1° | 0.0° |
| HAJ | CAJ | CAH | HAH | 0.3° | 0.0° |
| HAC1 | CAC | HAC2 | HAC3 | 120.0° | 120.1° |
| HAD1 | CAD | HAD2 | HAD3 | 120.0° | 120.0° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| HAL | CAL | CAF | HAF | 2.0° | 0.1° |
| HAF | CAF | CBA | HBA | 0.3° | 0.1° |
