YR1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAU | doub | 1.22Å | 1.25Å | |
| OAB | CAW | doub | 1.22Å | 1.23Å | |
| OAC | CAX | doub | 1.22Å | 1.23Å | |
| OAD | NBH | doub | 1.22Å | 1.43Å | |
| OAE | CAU | sing | 1.35Å | 1.25Å | |
| OAF | CAV | sing | 1.35Å | 1.36Å | |
| OAG | CAZ | sing | 1.36Å | 1.36Å | |
| OAH | NBH | sing | 1.22Å | 1.42Å | |
| CAI | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CBA | doub | 1.40Å | 1.39Å | Aromatic |
| CAM | CBA | sing | 1.40Å | 1.39Å | Aromatic |
| CAN | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAZ | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CBB | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CBB | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CBD | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | CBE | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CBE | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CBC | sing | 1.40Å | 1.39Å | Aromatic |
| CAT | CBD | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CBC | sing | 1.47Å | 1.54Å | |
| CAV | CAX | sing | 1.48Å | 1.39Å | |
| CAV | CAY | doub | 1.35Å | 1.38Å | |
| CAW | CAY | sing | 1.47Å | 1.53Å | |
| CAW | CBA | sing | 1.48Å | 1.52Å | |
| CAX | NBG | sing | 1.34Å | 1.33Å | |
| CAY | CBF | sing | 1.51Å | 1.51Å | |
| CAZ | CBC | doub | 1.40Å | 1.39Å | Aromatic |
| CBB | CBF | sing | 1.51Å | 1.52Å | |
| CBD | NBG | sing | 1.40Å | 1.33Å | |
| CBE | NBH | sing | 1.48Å | 1.33Å | |
| CBF | NBG | sing | 1.47Å | 1.47Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| 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 | 1.08Å | 1.08Å | |
| CBF | HBF | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAU | OAE | 124.5° | 120.0° |
| OAA | CAU | CBC | 117.7° | 120.0° |
| OAB | CAW | CAY | 120.9° | 120.0° |
| OAB | CAW | CBA | 120.8° | 120.0° |
| OAC | CAX | CAV | 125.2° | 125.0° |
| OAC | CAX | NBG | 124.2° | 125.0° |
| OAD | NBH | OAH | 120.5° | 120.0° |
| OAD | NBH | CBE | 120.0° | 120.0° |
| OAE | CAU | CBC | 117.8° | 120.1° |
| CAU | OAE | HOAE | 109.5° | 117.1° |
| OAF | CAV | CAX | 126.2° | 125.4° |
| OAF | CAV | CAY | 125.1° | 125.4° |
| CAV | OAF | HOAF | 109.5° | 114.0° |
| OAG | CAZ | CAN | 119.8° | 120.1° |
| OAG | CAZ | CBC | 120.5° | 120.1° |
| CAZ | OAG | HOAG | 109.5° | 114.1° |
| OAH | NBH | CBE | 119.5° | 120.0° |
| CAJ | CAI | CAK | 120.1° | 120.3° |
| CAI | CAJ | CAL | 119.5° | 120.2° |
| CAJ | CAI | HAI | 120.0° | 119.8° |
| CAI | CAJ | HAJ | 120.3° | 119.9° |
| CAI | CAK | CAM | 120.4° | 120.1° |
| CAK | CAI | HAI | 120.0° | 119.9° |
| CAI | CAK | HAK | 119.8° | 119.9° |
| CAJ | CAL | CBA | 120.4° | 119.8° |
| CAL | CAJ | HAJ | 120.3° | 119.9° |
| CAJ | CAL | HAL | 119.8° | 120.1° |
| CAK | CAM | CBA | 119.2° | 119.9° |
| CAM | CAK | HAK | 119.8° | 120.0° |
| CAK | CAM | HAM | 120.4° | 120.0° |
| CAL | CBA | CAM | 120.4° | 119.7° |
| CAL | CBA | CAW | 117.4° | 120.2° |
| CBA | CAL | HAL | 119.8° | 120.1° |
| CAM | CBA | CAW | 122.1° | 120.2° |
| CBA | CAM | HAM | 120.4° | 120.1° |
| CAQ | CAN | CAZ | 120.4° | 120.2° |
| CAN | CAQ | CBD | 119.5° | 120.3° |
| CAQ | CAN | HAN | 119.8° | 119.9° |
| CAN | CAQ | HAQ | 120.2° | 119.9° |
| CAN | CAZ | CBC | 119.8° | 119.8° |
| CAZ | CAN | HAN | 119.8° | 119.9° |
| CAR | CAO | CBB | 119.8° | 120.0° |
| CAO | CAR | CBE | 119.8° | 120.0° |
| CAR | CAO | HAO | 120.1° | 120.0° |
| CAO | CAR | HAR | 120.1° | 119.9° |
| CAO | CBB | CAP | 120.4° | 120.0° |
| CAO | CBB | CBF | 119.1° | 120.0° |
| CBB | CAO | HAO | 120.1° | 120.0° |
| CAS | CAP | CBB | 119.9° | 120.0° |
| CAP | CAS | CBE | 119.7° | 120.0° |
| CAS | CAP | HAP | 120.1° | 120.0° |
| CAP | CAS | HAS | 120.2° | 120.0° |
| CAP | CBB | CBF | 120.6° | 120.0° |
| CBB | CAP | HAP | 120.0° | 119.9° |
| CAQ | CBD | CAT | 120.3° | 120.1° |
| CAQ | CBD | NBG | 120.8° | 120.0° |
| CBD | CAQ | HAQ | 120.2° | 119.8° |
| CAR | CBE | CAS | 120.4° | 120.0° |
| CAR | CBE | NBH | 119.8° | 120.0° |
| CBE | CAR | HAR | 120.1° | 120.0° |
| CAS | CBE | NBH | 119.7° | 120.0° |
| CBE | CAS | HAS | 120.2° | 120.0° |
| CBC | CAT | CBD | 120.2° | 119.8° |
| CAT | CBC | CAU | 119.5° | 120.1° |
| CAT | CBC | CAZ | 119.8° | 119.7° |
| CBC | CAT | HAT | 119.9° | 120.1° |
| CAT | CBD | NBG | 119.0° | 119.9° |
| CBD | CAT | HAT | 119.9° | 120.1° |
| CAU | CBC | CAZ | 120.7° | 120.2° |
| CAX | CAV | CAY | 108.7° | 109.1° |
| CAV | CAX | NBG | 110.6° | 110.0° |
| CAV | CAY | CAW | 125.3° | 126.5° |
| CAV | CAY | CBF | 108.4° | 106.8° |
| CAY | CAW | CBA | 118.2° | 120.0° |
| CAW | CAY | CBF | 126.2° | 126.7° |
| CAX | NBG | CBD | 123.5° | 126.0° |
| CAX | NBG | CBF | 111.0° | 107.9° |
| CAY | CBF | CBB | 105.9° | 110.1° |
| CAY | CBF | NBG | 101.1° | 106.2° |
| CAY | CBF | HBF | 116.0° | 110.1° |
| CBB | CBF | NBG | 107.0° | 109.9° |
| CBB | CBF | HBF | 110.8° | 110.1° |
| CBD | NBG | CBF | 125.1° | 126.0° |
| NBG | CBF | HBF | 115.0° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAU | OAE | CBC | 179.4° | 180.0° |
| OAA | CAU | CBC | CAT | 89.2° | 180.0° |
| OAA | CAU | CBC | CAZ | 90.8° | 0.1° |
| OAA | CAU | OAE | HOAE | 0.0° | 0.0° |
| OAB | CAW | CBA | CAL | 121.2° | 4.0° |
| OAB | CAW | CBA | CAM | 57.8° | 176.0° |
| OAB | CAW | CAY | CAV | 178.4° | 66.8° |
| OAB | CAW | CAY | CBA | 177.4° | 180.0° |
| OAB | CAW | CAY | CBF | 2.4° | 113.3° |
| OAC | CAX | CAV | OAF | 0.5° | 0.0° |
| OAC | CAX | CAV | NBG | 178.2° | 180.0° |
| OAC | CAX | CAV | CAY | 178.8° | 179.8° |
| OAC | CAX | NBG | CBD | 4.7° | 0.0° |
| OAC | CAX | NBG | CBF | 177.9° | 179.9° |
| OAD | NBH | OAH | CBE | 179.6° | 179.9° |
| OAD | NBH | CBE | CAR | 23.0° | 0.1° |
| OAD | NBH | CBE | CAS | 156.9° | 180.0° |
| OAE | CAU | CBC | CAT | 90.3° | 0.1° |
| OAE | CAU | CBC | CAZ | 89.7° | 180.0° |
| OAF | CAV | CAX | CAY | 179.2° | 179.7° |
| OAF | CAV | CAY | CAW | 1.5° | 0.0° |
| OAF | CAV | CAX | NBG | 178.6° | 180.0° |
| OAF | CAV | CAY | CBF | 178.0° | 180.0° |
| OAG | CAZ | CAN | CAQ | 180.0° | 180.0° |
| OAG | CAZ | CAN | CBC | 180.0° | 179.9° |
| OAG | CAZ | CBC | CAT | 179.9° | 180.0° |
| OAG | CAZ | CBC | CAU | 0.1° | 0.1° |
| OAG | CAZ | CAN | HAN | 0.0° | 0.2° |
| OAH | NBH | CBE | CAR | 157.4° | 180.0° |
| OAH | NBH | CBE | CAS | 22.7° | 0.1° |
| CAJ | CAI | CAK | HAI | 180.0° | 179.6° |
| CAI | CAJ | CAL | HAJ | 180.0° | 180.0° |
| CAJ | CAI | CAK | CAM | 0.1° | 0.1° |
| CAI | CAJ | CAL | CBA | 0.4° | 0.0° |
| CAJ | CAI | CAK | HAK | 179.9° | 180.0° |
| CAI | CAJ | CAL | HAL | 179.6° | 180.0° |
| CAK | CAI | CAJ | CAL | 0.1° | 0.1° |
| CAI | CAK | CAM | HAK | 180.0° | 179.9° |
| CAI | CAK | CAM | CBA | 0.5° | 0.0° |
| CAK | CAI | CAJ | HAJ | 180.0° | 179.9° |
| CAI | CAK | CAM | HAM | 179.5° | 179.9° |
| CAJ | CAL | CBA | HAL | 180.0° | 179.9° |
| CAJ | CAL | CBA | CAM | 0.7° | 0.1° |
| CAJ | CAL | CBA | CAW | 179.7° | 180.0° |
| CAL | CAJ | CAI | HAI | 180.0° | 179.7° |
| CAK | CAM | CBA | CAL | 0.8° | 0.1° |
| CAK | CAM | CBA | HAM | 180.0° | 179.9° |
| CAK | CAM | CBA | CAW | 179.7° | 180.0° |
| CAM | CAK | CAI | HAI | 179.9° | 179.7° |
| CAL | CBA | CAM | CAW | 179.0° | 179.9° |
| CAL | CBA | CAW | CAY | 56.2° | 176.0° |
| CBA | CAL | CAJ | HAJ | 179.6° | 180.0° |
| CAL | CBA | CAM | HAM | 179.2° | 180.0° |
| CAM | CBA | CAW | CAY | 124.8° | 4.0° |
| CBA | CAM | CAK | HAK | 179.6° | 179.9° |
| CAM | CBA | CAL | HAL | 179.3° | 180.0° |
| CAQ | CAN | CAZ | HAN | 180.0° | 179.8° |
| CAN | CAQ | CBD | HAQ | 180.0° | 180.0° |
| CAN | CAQ | CBD | CAT | 0.6° | 0.0° |
| CAQ | CAN | CAZ | CBC | 0.0° | 0.0° |
| CAN | CAQ | CBD | NBG | 179.5° | 179.9° |
| CAZ | CAN | CAQ | CBD | 0.3° | 0.0° |
| CAN | CAZ | CBC | CAT | 0.1° | 0.1° |
| CAN | CAZ | CBC | CAU | 180.0° | 180.0° |
| CAN | CAZ | OAG | HOAG | 180.0° | 89.9° |
| CAZ | CAN | CAQ | HAQ | 179.7° | 180.0° |
| CAR | CAO | CBB | HAO | 180.0° | 179.6° |
| CAR | CAO | CBB | CAP | 0.8° | 0.1° |
| CAO | CAR | CBE | HAR | 180.0° | 179.9° |
| CAO | CAR | CBE | CAS | 0.0° | 0.0° |
| CAR | CAO | CBB | CBF | 179.6° | 180.0° |
| CAO | CAR | CBE | NBH | 179.9° | 179.9° |
| CAO | CBB | CAP | CAS | 0.7° | 0.0° |
| CAO | CBB | CAP | CBF | 178.8° | 180.0° |
| CBB | CAO | CAR | CBE | 0.4° | 0.1° |
| CAO | CBB | CBF | CAY | 105.0° | 106.0° |
| CAO | CBB | CBF | NBG | 2.3° | 137.4° |
| CAO | CBB | CAP | HAP | 179.3° | 180.0° |
| CBB | CAO | CAR | HAR | 179.6° | 180.0° |
| CAO | CBB | CBF | HBF | 128.4° | 15.7° |
| CAS | CAP | CBB | HAP | 180.0° | 180.0° |
| CAP | CAS | CBE | CAR | 0.0° | 0.0° |
| CAP | CAS | CBE | HAS | 180.0° | 179.9° |
| CAS | CAP | CBB | CBF | 179.5° | 180.0° |
| CAP | CAS | CBE | NBH | 179.9° | 179.9° |
| CBB | CAP | CAS | CBE | 0.3° | 0.0° |
| CAP | CBB | CBF | CAY | 73.8° | 74.0° |
| CAP | CBB | CBF | NBG | 178.9° | 42.7° |
| CAP | CBB | CAO | HAO | 179.3° | 179.7° |
| CBB | CAP | CAS | HAS | 179.7° | 180.0° |
| CAP | CBB | CBF | HBF | 52.8° | 164.4° |
| CAQ | CBD | CAT | CBC | 0.6° | 0.0° |
| CAQ | CBD | CAT | NBG | 178.9° | 179.9° |
| CAQ | CBD | NBG | CAX | 68.7° | 180.0° |
| CAQ | CBD | NBG | CBF | 118.9° | 0.2° |
| CBD | CAQ | CAN | HAN | 179.7° | 179.8° |
| CAQ | CBD | CAT | HAT | 179.5° | 180.0° |
| CAR | CBE | CAS | NBH | 179.9° | 179.9° |
| CBE | CAR | CAO | HAO | 179.6° | 179.7° |
| CAR | CBE | CAS | HAS | 180.0° | 180.0° |
| CBE | CAS | CAP | HAP | 179.7° | 180.0° |
| CAS | CBE | CAR | HAR | 179.9° | 179.9° |
| CBC | CAT | CBD | HAT | 180.0° | 180.0° |
| CAT | CBC | CAU | CAZ | 180.0° | 179.9° |
| CBC | CAT | CBD | NBG | 179.5° | 179.9° |
| CBD | CAT | CBC | CAU | 179.8° | 179.9° |
| CAT | CBD | NBG | CAX | 110.2° | 0.1° |
| CBD | CAT | CBC | CAZ | 0.2° | 0.0° |
| CAT | CBD | NBG | CBF | 62.2° | 179.9° |
| CAT | CBD | CAQ | HAQ | 179.4° | 179.9° |
| CBC | CAU | OAE | HOAE | 179.4° | 180.0° |
| CAU | CBC | CAT | HAT | 0.2° | 0.0° |
| CAX | CAV | CAY | CAW | 179.3° | 179.8° |
| CAX | CAV | CAY | CBF | 2.7° | 0.2° |
| CAV | CAX | NBG | CBD | 177.1° | 180.0° |
| CAV | CAX | NBG | CBF | 3.9° | 0.1° |
| CAX | CAV | OAF | HOAF | 0.2° | 0.0° |
| CAV | CAY | CAW | CBF | 175.9° | 180.0° |
| CAV | CAY | CAW | CBA | 1.0° | 113.3° |
| CAY | CAV | CAX | NBG | 0.6° | 0.2° |
| CAV | CAY | CBF | CBB | 106.8° | 119.2° |
| CAV | CAY | CBF | NBG | 4.6° | 0.2° |
| CAY | CAV | OAF | HOAF | 178.9° | 179.7° |
| CAV | CAY | CBF | HBF | 129.8° | 119.2° |
| CAW | CAY | CBF | CBB | 69.7° | 60.9° |
| CAW | CAY | CBF | NBG | 178.8° | 179.9° |
| CAW | CAY | CBF | HBF | 53.7° | 60.7° |
| CBA | CAW | CAY | CBF | 175.0° | 66.7° |
| CAW | CBA | CAL | HAL | 0.3° | 0.0° |
| CAW | CBA | CAM | HAM | 0.3° | 0.0° |
| CAX | NBG | CBF | CAY | 5.1° | 0.0° |
| CAX | NBG | CBF | CBB | 105.5° | 119.2° |
| CAX | NBG | CBD | CBF | 172.3° | 179.8° |
| CAX | NBG | CBF | HBF | 130.9° | 119.3° |
| CAY | CBF | CBB | NBG | 107.2° | 116.7° |
| CAY | CBF | CBB | HBF | 126.6° | 121.6° |
| CAY | CBF | NBG | CBD | 178.3° | 179.8° |
| CAY | CBF | NBG | HBF | 125.8° | 119.3° |
| CBC | CAZ | OAG | HOAG | 0.0° | 90.0° |
| CBC | CAZ | CAN | HAN | 180.0° | 179.8° |
| CAZ | CBC | CAT | HAT | 179.8° | 179.9° |
| CBB | CBF | NBG | CBD | 67.7° | 60.7° |
| CBB | CBF | NBG | HBF | 123.6° | 121.6° |
| CBF | CBB | CAO | HAO | 0.5° | 0.3° |
| CBF | CBB | CAP | HAP | 0.6° | 0.0° |
| NBG | CBD | CAQ | HAQ | 0.5° | 0.0° |
| NBG | CBD | CAT | HAT | 0.5° | 0.1° |
| CBD | NBG | CBF | HBF | 55.9° | 60.9° |
| NBH | CBE | CAR | HAR | 0.1° | 0.0° |
| NBH | CBE | CAS | HAS | 0.1° | 0.1° |
| HAI | CAI | CAJ | HAJ | 0.0° | 0.3° |
| HAI | CAI | CAK | HAK | 0.1° | 0.4° |
| HAJ | CAJ | CAL | HAL | 0.3° | 0.0° |
| HAK | CAK | CAM | HAM | 0.4° | 0.0° |
| HAN | CAN | CAQ | HAQ | 0.3° | 0.2° |
| HAO | CAO | CAR | HAR | 0.4° | 0.4° |
| HAP | CAP | CAS | HAS | 0.3° | 0.1° |
