YFD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAJ | sing | 1.53Å | 1.53Å | |
| CAJ | CAL | sing | 1.53Å | 1.51Å | |
| CAL | CAM | sing | 1.53Å | 1.53Å | |
| CAM | CAN | sing | 1.53Å | 1.54Å | |
| CAN | CAS | sing | 1.51Å | 1.51Å | |
| CAS | CAV | sing | 1.40Å | 1.40Å | Aromatic |
| CAS | CAI | doub | 1.37Å | 1.37Å | Aromatic |
| CAV | CAQ | sing | 1.47Å | 1.52Å | |
| CAV | CAR | doub | 1.40Å | 1.39Å | Aromatic |
| CAQ | OAF | sing | 1.35Å | 1.25Å | |
| CAQ | OAE | doub | 1.22Å | 1.25Å | |
| CAR | OAG | sing | 1.36Å | 1.37Å | |
| CAR | CAU | sing | 1.39Å | 1.41Å | Aromatic |
| CAI | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAT | OAO | sing | 1.36Å | 1.39Å | |
| CAT | CAU | doub | 1.39Å | 1.41Å | Aromatic |
| OAO | CAB | sing | 1.43Å | 1.47Å | |
| CAU | CAK | sing | 1.51Å | 1.54Å | |
| CAK | CAH | sing | 1.51Å | 1.41Å | |
| CAH | CAP | doub | 1.31Å | 1.40Å | |
| CAP | CAD | sing | 1.51Å | 1.53Å | |
| CAP | CAC | sing | 1.51Å | 1.55Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| OAF | HAF | sing | 0.97Å | 0.95Å | |
| OAG | HAG | sing | 0.97Å | 0.95Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAD | HAD1 | sing | 1.09Å | 1.10Å | |
| CAD | HAD2 | sing | 1.09Å | 1.10Å | |
| CAD | HAD3 | sing | 1.09Å | 1.10Å | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CAC | HAC3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAJ | CAL | 105.8° | 109.4° |
| CAJ | CAA | HAA1 | 109.5° | 109.5° |
| CAJ | CAA | HAA2 | 109.4° | 109.5° |
| CAJ | CAA | HAA3 | 109.4° | 109.4° |
| CAA | CAJ | HAJ1 | 110.4° | 109.5° |
| CAA | CAJ | HAJ2 | 110.4° | 109.5° |
| CAJ | CAL | CAM | 108.6° | 109.4° |
| CAL | CAJ | HAJ1 | 110.4° | 109.4° |
| CAL | CAJ | HAJ2 | 110.4° | 109.5° |
| CAJ | CAL | HAL1 | 109.7° | 109.5° |
| CAJ | CAL | HAL2 | 109.7° | 109.5° |
| CAL | CAM | CAN | 105.9° | 109.4° |
| CAM | CAL | HAL1 | 109.7° | 109.5° |
| CAM | CAL | HAL2 | 109.7° | 109.5° |
| CAL | CAM | HAM1 | 110.4° | 109.5° |
| CAL | CAM | HAM2 | 110.4° | 109.5° |
| CAM | CAN | CAS | 109.1° | 109.4° |
| CAN | CAM | HAM1 | 110.4° | 109.5° |
| CAN | CAM | HAM2 | 110.3° | 109.4° |
| CAM | CAN | HAN1 | 109.6° | 109.5° |
| CAM | CAN | HAN2 | 109.6° | 109.5° |
| CAN | CAS | CAV | 127.1° | 120.0° |
| CAN | CAS | CAI | 114.6° | 120.0° |
| CAS | CAN | HAN1 | 109.6° | 109.4° |
| CAS | CAN | HAN2 | 109.6° | 109.5° |
| CAV | CAS | CAI | 118.3° | 120.1° |
| CAS | CAV | CAQ | 123.0° | 120.1° |
| CAS | CAV | CAR | 120.8° | 119.7° |
| CAS | CAI | CAT | 121.7° | 120.4° |
| CAS | CAI | HAI | 119.1° | 119.8° |
| CAQ | CAV | CAR | 116.2° | 120.1° |
| CAV | CAQ | OAF | 116.6° | 120.0° |
| CAV | CAQ | OAE | 118.7° | 120.0° |
| CAV | CAR | OAG | 115.6° | 120.2° |
| CAV | CAR | CAU | 121.6° | 119.6° |
| OAF | CAQ | OAE | 124.7° | 120.0° |
| CAQ | OAF | HAF | 109.5° | 117.0° |
| OAG | CAR | CAU | 122.8° | 120.1° |
| CAR | OAG | HAG | 109.5° | 114.0° |
| CAR | CAU | CAT | 116.6° | 119.9° |
| CAR | CAU | CAK | 120.7° | 120.1° |
| CAI | CAT | OAO | 116.0° | 119.9° |
| CAI | CAT | CAU | 121.1° | 120.3° |
| CAT | CAI | HAI | 119.2° | 119.8° |
| OAO | CAT | CAU | 122.9° | 119.9° |
| CAT | OAO | CAB | 110.8° | 117.0° |
| CAT | CAU | CAK | 122.7° | 120.0° |
| OAO | CAB | HAB1 | 109.5° | 109.4° |
| OAO | CAB | HAB2 | 109.5° | 109.5° |
| OAO | CAB | HAB3 | 109.5° | 109.5° |
| CAU | CAK | CAH | 109.2° | 109.5° |
| CAU | CAK | HAK1 | 109.5° | 109.5° |
| CAU | CAK | HAK2 | 109.5° | 109.5° |
| CAK | CAH | CAP | 128.2° | 120.0° |
| CAH | CAK | HAK1 | 109.6° | 109.5° |
| CAH | CAK | HAK2 | 109.5° | 109.5° |
| CAK | CAH | HAH | 115.9° | 120.0° |
| CAH | CAP | CAD | 119.3° | 120.0° |
| CAH | CAP | CAC | 120.7° | 120.0° |
| CAP | CAH | HAH | 115.9° | 120.0° |
| CAD | CAP | CAC | 120.0° | 120.0° |
| CAP | CAD | HAD1 | 109.5° | 109.4° |
| CAP | CAD | HAD2 | 109.5° | 109.5° |
| CAP | CAD | HAD3 | 109.5° | 109.5° |
| CAP | CAC | HAC1 | 109.5° | 109.5° |
| CAP | CAC | HAC2 | 109.4° | 109.5° |
| CAP | CAC | HAC3 | 109.5° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.4° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 109.5° | 109.5° |
| HAL1 | CAL | HAL2 | 109.5° | 109.5° |
| HAM1 | CAM | HAM2 | 109.5° | 109.5° |
| HAN1 | CAN | HAN2 | 109.4° | 109.5° |
| HAB1 | CAB | HAB2 | 109.4° | 109.5° |
| HAB1 | CAB | HAB3 | 109.5° | 109.4° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
| HAK1 | CAK | HAK2 | 109.5° | 109.4° |
| HAD1 | CAD | HAD2 | 109.5° | 109.5° |
| HAD1 | CAD | HAD3 | 109.4° | 109.5° |
| HAD2 | CAD | HAD3 | 109.4° | 109.5° |
| HAC1 | CAC | HAC2 | 109.5° | 109.5° |
| HAC1 | CAC | HAC3 | 109.5° | 109.5° |
| HAC2 | CAC | HAC3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAJ | CAL | HAJ1 | 119.4° | 119.9° |
| CAA | CAJ | CAL | HAJ2 | 119.4° | 120.0° |
| CAA | CAJ | CAL | CAM | 178.7° | 180.0° |
| CAJ | CAA | HAA1 | HAA2 | 120.0° | 120.1° |
| CAJ | CAA | HAA1 | HAA3 | 120.0° | 119.9° |
| CAJ | CAA | HAA2 | HAA3 | 120.0° | 119.9° |
| CAA | CAJ | HAJ1 | HAJ2 | 121.7° | 120.1° |
| CAA | CAJ | CAL | HAL1 | 58.9° | 60.1° |
| CAA | CAJ | CAL | HAL2 | 61.4° | 60.0° |
| CAJ | CAL | CAM | HAL1 | 119.9° | 120.0° |
| CAJ | CAL | CAM | HAL2 | 119.9° | 120.0° |
| CAJ | CAL | CAM | CAN | 104.9° | 180.0° |
| CAL | CAJ | CAA | HAA1 | 180.0° | 60.0° |
| CAL | CAJ | CAA | HAA2 | 60.0° | 60.1° |
| CAL | CAJ | CAA | HAA3 | 60.0° | 180.0° |
| CAL | CAJ | HAJ1 | HAJ2 | 121.7° | 120.0° |
| CAJ | CAL | HAL1 | HAL2 | 120.4° | 120.0° |
| CAJ | CAL | CAM | HAM1 | 135.7° | 60.0° |
| CAJ | CAL | CAM | HAM2 | 14.6° | 60.0° |
| CAL | CAM | CAN | HAM1 | 119.4° | 120.0° |
| CAL | CAM | CAN | HAM2 | 119.4° | 119.9° |
| CAL | CAM | CAN | CAS | 146.4° | 180.0° |
| CAM | CAL | CAJ | HAJ1 | 61.9° | 60.0° |
| CAM | CAL | CAJ | HAJ2 | 59.3° | 60.0° |
| CAM | CAL | HAL1 | HAL2 | 120.4° | 120.0° |
| CAL | CAM | HAM1 | HAM2 | 121.7° | 120.1° |
| CAL | CAM | CAN | HAN1 | 93.6° | 60.0° |
| CAL | CAM | CAN | HAN2 | 26.5° | 60.0° |
| CAM | CAN | CAS | HAN1 | 120.0° | 120.0° |
| CAM | CAN | CAS | HAN2 | 120.0° | 120.0° |
| CAM | CAN | CAS | CAV | 79.0° | 85.0° |
| CAM | CAN | CAS | CAI | 101.2° | 95.2° |
| CAN | CAM | CAL | HAL1 | 15.0° | 60.0° |
| CAN | CAM | CAL | HAL2 | 135.3° | 60.1° |
| CAN | CAM | HAM1 | HAM2 | 121.6° | 120.0° |
| CAM | CAN | HAN1 | HAN2 | 120.1° | 120.0° |
| CAN | CAS | CAV | CAI | 179.8° | 179.7° |
| CAN | CAS | CAV | CAQ | 0.5° | 0.0° |
| CAN | CAS | CAV | CAR | 179.3° | 179.9° |
| CAN | CAS | CAI | CAT | 179.2° | 179.9° |
| CAS | CAN | CAM | HAM1 | 27.0° | 60.0° |
| CAS | CAN | CAM | HAM2 | 94.1° | 60.1° |
| CAS | CAN | HAN1 | HAN2 | 120.2° | 120.0° |
| CAN | CAS | CAI | HAI | 0.8° | 0.0° |
| CAS | CAV | CAQ | CAR | 179.9° | 179.9° |
| CAS | CAV | CAQ | OAF | 176.0° | 90.1° |
| CAS | CAV | CAQ | OAE | 5.5° | 90.0° |
| CAS | CAV | CAR | OAG | 179.4° | 180.0° |
| CAS | CAV | CAR | CAU | 0.9° | 0.1° |
| CAV | CAS | CAI | CAT | 0.9° | 0.2° |
| CAV | CAS | CAN | HAN1 | 41.0° | 35.0° |
| CAV | CAS | CAN | HAN2 | 161.0° | 155.0° |
| CAV | CAS | CAI | HAI | 179.1° | 179.8° |
| CAI | CAS | CAV | CAQ | 179.3° | 179.7° |
| CAI | CAS | CAV | CAR | 0.9° | 0.2° |
| CAS | CAI | CAT | HAI | 180.0° | 179.9° |
| CAS | CAI | CAT | OAO | 179.6° | 180.0° |
| CAS | CAI | CAT | CAU | 1.1° | 0.1° |
| CAI | CAS | CAN | HAN1 | 138.9° | 144.7° |
| CAI | CAS | CAN | HAN2 | 18.8° | 24.7° |
| CAV | CAQ | OAF | OAE | 178.4° | 179.9° |
| CAQ | CAV | CAR | OAG | 0.7° | 0.0° |
| CAQ | CAV | CAR | CAU | 179.2° | 180.0° |
| CAV | CAQ | OAF | HAF | 178.5° | 180.0° |
| CAR | CAV | CAQ | OAF | 4.2° | 90.0° |
| CAR | CAV | CAQ | OAE | 174.4° | 89.9° |
| CAV | CAR | OAG | CAU | 178.4° | 180.0° |
| CAV | CAR | CAU | CAT | 1.0° | 0.4° |
| CAV | CAR | CAU | CAK | 179.3° | 180.0° |
| CAV | CAR | OAG | HAG | 180.0° | 90.1° |
| OAE | CAQ | OAF | HAF | 0.0° | 0.0° |
| OAG | CAR | CAU | CAT | 179.4° | 179.7° |
| OAG | CAR | CAU | CAK | 0.9° | 0.0° |
| CAR | CAU | CAT | CAI | 1.1° | 0.4° |
| CAR | CAU | CAT | OAO | 179.6° | 179.7° |
| CAR | CAU | CAT | CAK | 179.7° | 179.6° |
| CAR | CAU | CAK | CAH | 74.8° | 89.9° |
| CAU | CAR | OAG | HAG | 1.6° | 90.0° |
| CAR | CAU | CAK | HAK1 | 165.3° | 150.0° |
| CAR | CAU | CAK | HAK2 | 45.2° | 30.1° |
| CAI | CAT | OAO | CAU | 179.3° | 179.9° |
| CAI | CAT | OAO | CAB | 11.8° | 0.1° |
| CAI | CAT | CAU | CAK | 179.2° | 179.9° |
| OAO | CAT | CAU | CAK | 0.1° | 0.1° |
| OAO | CAT | CAI | HAI | 0.4° | 0.1° |
| CAT | OAO | CAB | HAB1 | 180.0° | 180.0° |
| CAT | OAO | CAB | HAB2 | 60.0° | 60.0° |
| CAT | OAO | CAB | HAB3 | 60.0° | 60.1° |
| CAU | CAT | OAO | CAB | 168.9° | 179.9° |
| CAT | CAU | CAK | CAH | 105.5° | 89.7° |
| CAU | CAT | CAI | HAI | 178.9° | 180.0° |
| CAT | CAU | CAK | HAK1 | 14.4° | 30.3° |
| CAT | CAU | CAK | HAK2 | 134.6° | 150.3° |
| OAO | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| OAO | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| OAO | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| CAU | CAK | CAH | HAK1 | 119.9° | 120.1° |
| CAU | CAK | CAH | HAK2 | 119.9° | 120.0° |
| CAU | CAK | CAH | CAP | 165.4° | 125.9° |
| CAU | CAK | HAK1 | HAK2 | 120.2° | 120.0° |
| CAU | CAK | CAH | HAH | 14.7° | 54.0° |
| CAK | CAH | CAP | HAH | 180.0° | 179.9° |
| CAK | CAH | CAP | CAD | 1.3° | 6.2° |
| CAK | CAH | CAP | CAC | 178.2° | 173.8° |
| CAH | CAK | HAK1 | HAK2 | 120.1° | 120.0° |
| CAH | CAP | CAD | CAC | 179.5° | 180.0° |
| CAP | CAH | CAK | HAK1 | 45.4° | 5.9° |
| CAP | CAH | CAK | HAK2 | 74.7° | 114.0° |
| CAH | CAP | CAD | HAD1 | 180.0° | 84.4° |
| CAH | CAP | CAD | HAD2 | 60.0° | 155.6° |
| CAH | CAP | CAD | HAD3 | 60.0° | 35.6° |
| CAH | CAP | CAC | HAC1 | 180.0° | 90.1° |
| CAH | CAP | CAC | HAC2 | 60.0° | 150.0° |
| CAH | CAP | CAC | HAC3 | 60.0° | 30.0° |
| CAD | CAP | CAH | HAH | 178.8° | 173.7° |
| CAP | CAD | HAD1 | HAD2 | 120.0° | 120.0° |
| CAP | CAD | HAD1 | HAD3 | 120.0° | 120.0° |
| CAP | CAD | HAD2 | HAD3 | 120.0° | 120.0° |
| CAD | CAP | CAC | HAC1 | 0.5° | 90.0° |
| CAD | CAP | CAC | HAC2 | 119.5° | 30.0° |
| CAD | CAP | CAC | HAC3 | 120.5° | 150.0° |
| CAC | CAP | CAH | HAH | 1.7° | 6.3° |
| CAC | CAP | CAD | HAD1 | 0.5° | 95.6° |
| CAC | CAP | CAD | HAD2 | 120.5° | 24.4° |
| CAC | CAP | CAD | HAD3 | 119.5° | 144.4° |
| CAP | CAC | HAC1 | HAC2 | 120.0° | 120.0° |
| CAP | CAC | HAC1 | HAC3 | 120.0° | 120.0° |
| CAP | CAC | HAC2 | HAC3 | 120.0° | 120.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAA1 | CAA | CAJ | HAJ1 | 60.6° | 59.9° |
| HAA1 | CAA | CAJ | HAJ2 | 60.6° | 180.0° |
| HAA2 | CAA | CAJ | HAJ1 | 59.4° | 180.0° |
| HAA2 | CAA | CAJ | HAJ2 | 179.4° | 59.9° |
| HAA3 | CAA | CAJ | HAJ1 | 179.4° | 60.0° |
| HAA3 | CAA | CAJ | HAJ2 | 59.4° | 60.0° |
| HAJ1 | CAJ | CAL | HAL1 | 178.3° | 180.0° |
| HAJ1 | CAJ | CAL | HAL2 | 58.0° | 59.9° |
| HAJ2 | CAJ | CAL | HAL1 | 60.5° | 59.9° |
| HAJ2 | CAJ | CAL | HAL2 | 179.1° | 180.0° |
| HAL1 | CAL | CAM | HAM1 | 104.4° | 180.0° |
| HAL1 | CAL | CAM | HAM2 | 134.4° | 59.9° |
| HAL2 | CAL | CAM | HAM1 | 15.8° | 59.9° |
| HAL2 | CAL | CAM | HAM2 | 105.3° | 180.0° |
| HAM1 | CAM | CAN | HAN1 | 147.0° | 179.9° |
| HAM1 | CAM | CAN | HAN2 | 93.0° | 60.0° |
| HAM2 | CAM | CAN | HAN1 | 25.8° | 59.9° |
| HAM2 | CAM | CAN | HAN2 | 145.9° | 180.0° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| HAK1 | CAK | CAH | HAH | 134.6° | 174.0° |
| HAK2 | CAK | CAH | HAH | 105.3° | 66.1° |
| HAD1 | CAD | HAD2 | HAD3 | 119.9° | 120.0° |
| HAC1 | CAC | HAC2 | HAC3 | 120.0° | 120.0° |
