YFF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.35Å | 1.25Å | |
| C1 | O2 | doub | 1.21Å | 1.25Å | |
| C1 | CAK | sing | 1.48Å | 1.50Å | |
| NAA | CAU | sing | 1.35Å | 1.33Å | |
| NAC | CAV | doub | 1.29Å | 1.32Å | |
| OAE | CAU | doub | 1.21Å | 1.22Å | |
| OAF | CAW | doub | 1.22Å | 1.22Å | |
| CAH | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAX | doub | 1.41Å | 1.39Å | Aromatic |
| CAL | CAX | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CAN | sing | 1.53Å | 1.52Å | |
| CAM | CAO | sing | 1.53Å | 1.53Å | |
| CAN | NAR | sing | 1.47Å | 1.45Å | |
| CAO | CAZ | sing | 1.53Å | 1.53Å | |
| CAP | CAV | sing | 1.51Å | 1.50Å | |
| NAR | CAV | sing | 1.37Å | 1.33Å | |
| NAS | CAW | sing | 1.35Å | 1.34Å | |
| NAS | CAZ | sing | 1.46Å | 1.46Å | |
| CAU | CAZ | sing | 1.51Å | 1.51Å | |
| CAW | CAX | sing | 1.48Å | 1.51Å | |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| NAC | HNAC | sing | 0.97Å | 1.00Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| NAS | HNAS | sing | 0.97Å | 1.00Å | |
| CAZ | HAZ | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| CAP | F | sing | 1.40Å | 1.80Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 121.9° | 120.0° |
| O1 | C1 | CAK | 118.6° | 120.0° |
| C1 | O1 | HO1 | 109.5° | 117.0° |
| O2 | C1 | CAK | 119.6° | 120.0° |
| C1 | CAK | CAI | 118.4° | 120.2° |
| C1 | CAK | CAX | 121.7° | 120.2° |
| NAA | CAU | OAE | 122.4° | 120.1° |
| NAA | CAU | CAZ | 117.8° | 120.0° |
| CAU | NAA | HNAA | 120.0° | 119.9° |
| CAU | NAA | HNAB | 120.0° | 120.0° |
| NAC | CAV | CAP | 118.6° | 120.0° |
| NAC | CAV | NAR | 123.5° | 120.0° |
| CAV | NAC | HNAC | 112.0° | 120.0° |
| OAE | CAU | CAZ | 119.8° | 120.0° |
| OAF | CAW | NAS | 122.8° | 120.0° |
| OAF | CAW | CAX | 119.5° | 120.0° |
| CAI | CAH | CAJ | 119.7° | 120.5° |
| CAH | CAI | CAK | 120.5° | 119.9° |
| CAI | CAH | HAH | 120.2° | 119.7° |
| CAH | CAI | HAI | 119.8° | 120.0° |
| CAH | CAJ | CAL | 119.8° | 120.4° |
| CAJ | CAH | HAH | 120.1° | 119.8° |
| CAH | CAJ | HAJ | 120.1° | 119.8° |
| CAI | CAK | CAX | 119.8° | 119.6° |
| CAK | CAI | HAI | 119.7° | 120.0° |
| CAJ | CAL | CAX | 120.8° | 120.0° |
| CAL | CAJ | HAJ | 120.1° | 119.8° |
| CAJ | CAL | HAL | 119.7° | 120.0° |
| CAK | CAX | CAL | 119.4° | 119.6° |
| CAK | CAX | CAW | 122.5° | 120.2° |
| CAL | CAX | CAW | 118.1° | 120.2° |
| CAX | CAL | HAL | 119.6° | 120.0° |
| CAN | CAM | CAO | 113.9° | 109.4° |
| CAM | CAN | NAR | 104.7° | 109.4° |
| CAN | CAM | HAM | 108.0° | 109.4° |
| CAN | CAM | HAMA | 108.0° | 109.5° |
| CAM | CAN | HAN | 111.1° | 109.5° |
| CAM | CAN | HANA | 111.1° | 109.5° |
| CAM | CAO | CAZ | 114.7° | 109.4° |
| CAO | CAM | HAM | 108.0° | 109.5° |
| CAO | CAM | HAMA | 108.0° | 109.5° |
| CAM | CAO | HAO | 107.7° | 109.5° |
| CAM | CAO | HAOA | 107.7° | 109.4° |
| CAN | NAR | CAV | 129.3° | 120.0° |
| NAR | CAN | HAN | 111.1° | 109.5° |
| NAR | CAN | HANA | 111.1° | 109.5° |
| CAN | NAR | HNAR | 115.4° | 120.0° |
| CAO | CAZ | NAS | 104.0° | 109.5° |
| CAO | CAZ | CAU | 111.3° | 109.4° |
| CAZ | CAO | HAO | 107.8° | 109.5° |
| CAZ | CAO | HAOA | 107.8° | 109.5° |
| CAO | CAZ | HAZ | 113.5° | 109.5° |
| CAP | CAV | NAR | 117.9° | 120.0° |
| CAV | CAP | HAP | 114.2° | 109.5° |
| CAV | CAP | HAPA | 114.2° | 109.5° |
| CAV | CAP | F | 96.2° | 109.5° |
| CAV | NAR | HNAR | 115.3° | 120.0° |
| CAW | NAS | CAZ | 125.3° | 120.0° |
| NAS | CAW | CAX | 117.7° | 120.0° |
| CAW | NAS | HNAS | 117.3° | 120.0° |
| NAS | CAZ | CAU | 113.9° | 109.5° |
| CAZ | NAS | HNAS | 117.3° | 120.0° |
| NAS | CAZ | HAZ | 110.9° | 109.5° |
| CAU | CAZ | HAZ | 103.5° | 109.4° |
| HNAA | NAA | HNAB | 120.0° | 120.1° |
| HAM | CAM | HAMA | 110.9° | 109.5° |
| HAN | CAN | HANA | 107.8° | 109.5° |
| HAO | CAO | HAOA | 111.1° | 109.4° |
| HAP | CAP | HAPA | 104.4° | 109.5° |
| HAP | CAP | F | 114.2° | 109.5° |
| HAPA | CAP | F | 114.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | CAK | 179.7° | 179.7° |
| O1 | C1 | CAK | CAI | 58.9° | 55.3° |
| O1 | C1 | CAK | CAX | 120.9° | 124.7° |
| O2 | C1 | CAK | CAI | 120.9° | 125.0° |
| O2 | C1 | CAK | CAX | 59.3° | 55.1° |
| O2 | C1 | O1 | HO1 | 0.0° | 0.0° |
| C1 | CAK | CAI | CAH | 180.0° | 180.0° |
| C1 | CAK | CAI | CAX | 179.8° | 180.0° |
| C1 | CAK | CAX | CAL | 180.0° | 180.0° |
| C1 | CAK | CAX | CAW | 0.1° | 0.0° |
| C1 | CAK | CAI | HAI | 0.1° | 0.1° |
| CAK | C1 | O1 | HO1 | 179.8° | 179.7° |
| NAA | CAU | OAE | CAZ | 179.4° | 179.9° |
| NAA | CAU | CAZ | CAO | 73.0° | 60.0° |
| NAA | CAU | CAZ | NAS | 44.3° | 180.0° |
| CAU | NAA | HNAA | HNAB | 180.0° | 180.0° |
| NAA | CAU | CAZ | HAZ | 164.8° | 59.9° |
| NAC | CAV | NAR | CAN | 1.5° | 0.0° |
| NAC | CAV | CAP | NAR | 179.0° | 180.0° |
| NAC | CAV | CAP | HAP | 145.5° | 120.0° |
| NAC | CAV | CAP | HAPA | 25.5° | 120.0° |
| NAC | CAV | CAP | F | 94.5° | 0.0° |
| NAC | CAV | NAR | HNAR | 178.4° | 180.0° |
| OAE | CAU | CAZ | CAO | 106.5° | 120.0° |
| OAE | CAU | CAZ | NAS | 136.3° | 0.0° |
| OAE | CAU | NAA | HNAA | 0.0° | 0.0° |
| OAE | CAU | NAA | HNAB | 180.0° | 179.9° |
| OAE | CAU | CAZ | HAZ | 15.8° | 120.0° |
| OAF | CAW | CAX | CAK | 57.4° | 6.2° |
| OAF | CAW | CAX | CAL | 122.7° | 173.8° |
| OAF | CAW | NAS | CAX | 179.4° | 180.0° |
| OAF | CAW | NAS | CAZ | 0.4° | 0.0° |
| OAF | CAW | NAS | HNAS | 179.6° | 180.0° |
| CAI | CAH | CAJ | HAH | 180.0° | 179.7° |
| CAH | CAI | CAK | HAI | 180.0° | 179.9° |
| CAI | CAH | CAJ | CAL | 0.0° | 0.0° |
| CAH | CAI | CAK | CAX | 0.1° | 0.1° |
| CAI | CAH | CAJ | HAJ | 180.0° | 180.0° |
| CAJ | CAH | CAI | CAK | 0.0° | 0.0° |
| CAH | CAJ | CAL | HAJ | 180.0° | 179.9° |
| CAH | CAJ | CAL | CAX | 0.0° | 0.0° |
| CAJ | CAH | CAI | HAI | 180.0° | 179.9° |
| CAH | CAJ | CAL | HAL | 180.0° | 179.9° |
| CAI | CAK | CAX | CAL | 0.2° | 0.1° |
| CAI | CAK | CAX | CAW | 179.9° | 179.9° |
| CAK | CAI | CAH | HAH | 180.0° | 179.8° |
| CAJ | CAL | CAX | CAK | 0.1° | 0.0° |
| CAJ | CAL | CAX | HAL | 180.0° | 180.0° |
| CAJ | CAL | CAX | CAW | 180.0° | 180.0° |
| CAL | CAJ | CAH | HAH | 180.0° | 179.7° |
| CAK | CAX | CAL | CAW | 179.9° | 180.0° |
| CAK | CAX | CAW | NAS | 123.2° | 173.8° |
| CAX | CAK | CAI | HAI | 179.9° | 180.0° |
| CAK | CAX | CAL | HAL | 179.9° | 180.0° |
| CAL | CAX | CAW | NAS | 56.7° | 6.2° |
| CAX | CAL | CAJ | HAJ | 180.0° | 180.0° |
| CAN | CAM | CAO | HAM | 120.0° | 120.0° |
| CAN | CAM | CAO | HAMA | 120.0° | 120.0° |
| CAM | CAN | NAR | HAN | 120.0° | 120.0° |
| CAM | CAN | NAR | HANA | 120.0° | 120.0° |
| CAN | CAM | CAO | CAZ | 95.6° | 180.0° |
| CAM | CAN | NAR | CAV | 148.0° | 180.0° |
| CAN | CAM | HAM | HAMA | 118.2° | 120.0° |
| CAM | CAN | HAN | HANA | 121.9° | 120.0° |
| CAN | CAM | CAO | HAO | 144.4° | 60.0° |
| CAN | CAM | CAO | HAOA | 24.4° | 60.0° |
| CAM | CAN | NAR | HNAR | 32.0° | 0.0° |
| CAO | CAM | CAN | NAR | 115.2° | 180.0° |
| CAM | CAO | CAZ | HAO | 120.0° | 120.1° |
| CAM | CAO | CAZ | HAOA | 120.0° | 119.9° |
| CAM | CAO | CAZ | NAS | 158.1° | 65.0° |
| CAM | CAO | CAZ | CAU | 35.0° | 175.0° |
| CAO | CAM | HAM | HAMA | 118.2° | 120.0° |
| CAO | CAM | CAN | HAN | 124.8° | 60.1° |
| CAO | CAM | CAN | HANA | 4.8° | 60.0° |
| CAM | CAO | HAO | HAOA | 117.8° | 120.0° |
| CAM | CAO | CAZ | HAZ | 81.3° | 55.1° |
| CAN | NAR | CAV | CAP | 179.5° | 180.0° |
| CAN | NAR | CAV | HNAR | 180.0° | 179.9° |
| NAR | CAN | CAM | HAM | 124.8° | 60.0° |
| NAR | CAN | CAM | HAMA | 4.8° | 60.0° |
| NAR | CAN | HAN | HANA | 122.0° | 120.0° |
| CAO | CAZ | NAS | CAW | 178.1° | 155.0° |
| CAO | CAZ | NAS | CAU | 121.3° | 120.0° |
| CAO | CAZ | NAS | HAZ | 122.3° | 120.0° |
| CAO | CAZ | CAU | HAZ | 122.2° | 120.0° |
| CAZ | CAO | CAM | HAM | 24.4° | 60.0° |
| CAZ | CAO | CAM | HAMA | 144.4° | 60.1° |
| CAZ | CAO | HAO | HAOA | 117.9° | 120.0° |
| CAO | CAZ | NAS | HNAS | 1.9° | 25.0° |
| CAP | CAV | NAC | HNAC | 178.9° | 180.0° |
| CAV | CAP | HAP | HAPA | 125.3° | 120.0° |
| CAV | CAP | HAP | F | 109.4° | 120.0° |
| CAV | CAP | HAPA | F | 109.4° | 120.0° |
| CAP | CAV | NAR | HNAR | 0.5° | 0.0° |
| NAR | CAV | NAC | HNAC | 0.0° | 0.1° |
| CAV | NAR | CAN | HAN | 28.0° | 60.0° |
| CAV | NAR | CAN | HANA | 92.0° | 60.0° |
| NAR | CAV | CAP | HAP | 35.6° | 60.0° |
| NAR | CAV | CAP | HAPA | 155.5° | 60.0° |
| NAR | CAV | CAP | F | 84.5° | 180.0° |
| CAW | NAS | CAZ | HNAS | 180.0° | 180.0° |
| CAW | NAS | CAZ | CAU | 56.7° | 85.0° |
| CAW | NAS | CAZ | HAZ | 59.6° | 35.0° |
| NAS | CAZ | CAU | HAZ | 120.5° | 120.0° |
| CAZ | NAS | CAW | CAX | 179.8° | 180.0° |
| NAS | CAZ | CAO | HAO | 38.1° | 175.0° |
| NAS | CAZ | CAO | HAOA | 81.9° | 55.0° |
| CAZ | CAU | NAA | HNAA | 179.5° | 180.0° |
| CAZ | CAU | NAA | HNAB | 0.6° | 0.0° |
| CAU | CAZ | CAO | HAO | 85.0° | 55.0° |
| CAU | CAZ | CAO | HAOA | 155.0° | 65.0° |
| CAU | CAZ | NAS | HNAS | 123.3° | 95.0° |
| CAW | CAX | CAL | HAL | 0.0° | 0.0° |
| CAX | CAW | NAS | HNAS | 0.2° | 0.0° |
| HAH | CAH | CAI | HAI | 0.0° | 0.3° |
| HAH | CAH | CAJ | HAJ | 0.0° | 0.2° |
| HAJ | CAJ | CAL | HAL | 0.0° | 0.0° |
| HAM | CAM | CAN | HAN | 4.8° | 60.0° |
| HAM | CAM | CAN | HANA | 115.2° | 180.0° |
| HAM | CAM | CAO | HAO | 95.6° | 179.9° |
| HAM | CAM | CAO | HAOA | 144.4° | 60.0° |
| HAMA | CAM | CAN | HAN | 115.2° | NaN° |
| HAMA | CAM | CAN | HANA | 124.8° | 59.9° |
| HAMA | CAM | CAO | HAO | 24.4° | 60.0° |
| HAMA | CAM | CAO | HAOA | 95.6° | 180.0° |
| HAN | CAN | NAR | HNAR | 152.0° | 119.9° |
| HANA | CAN | NAR | HNAR | 88.0° | 120.0° |
| HAO | CAO | CAZ | HAZ | 158.7° | 65.0° |
| HAOA | CAO | CAZ | HAZ | 38.7° | 175.0° |
| HAP | CAP | HAPA | F | 125.3° | 120.0° |
| HNAS | NAS | CAZ | HAZ | 120.4° | 145.0° |
