FHF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.21Å | |
| C | CA | sing | 1.51Å | 1.56Å | |
| C | CAY | sing | 1.51Å | 1.51Å | |
| N | CA | sing | 1.46Å | 1.44Å | |
| N | CAT | sing | 1.35Å | 1.29Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CB | CG1 | sing | 1.53Å | 1.52Å | |
| CB | CG2 | sing | 1.53Å | 1.51Å | |
| CAA | CAN | sing | 1.53Å | 1.49Å | |
| OAD | CAI | doub | 1.21Å | 1.21Å | |
| OAE | CAT | doub | 1.22Å | 1.20Å | |
| OAG | NBA | sing | 1.42Å | 1.14Å | |
| FAH | CAV | sing | 1.35Å | 0.93Å | |
| CAI | NBA | sing | 1.35Å | 1.34Å | |
| CAJ | CAK | doub | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.37Å | Aromatic |
| CAK | CAM | sing | 1.38Å | 1.38Å | Aromatic |
| CAL | CAV | doub | 1.38Å | 1.37Å | Aromatic |
| CAM | CAW | doub | 1.39Å | 1.37Å | Aromatic |
| CAN | CAO | sing | 1.53Å | 1.50Å | |
| CAO | CAP | sing | 1.53Å | 1.52Å | |
| CAP | CAY | sing | 1.53Å | 1.53Å | |
| CAQ | CAY | sing | 1.53Å | 1.52Å | |
| CAQ | NBA | sing | 1.47Å | 1.45Å | |
| NAR | CAT | sing | 1.35Å | 1.32Å | |
| NAR | CAW | sing | 1.40Å | 1.30Å | |
| CAV | CAW | sing | 1.39Å | 1.36Å | Aromatic |
| N | HN | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| 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 | 1.09Å | 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 | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| CAY | HAY | sing | 1.09Å | 1.10Å | |
| CG1 | HG1 | sing | 1.09Å | 1.10Å | |
| CG1 | HG1A | sing | 1.09Å | 1.10Å | |
| CG1 | HG1B | sing | 1.09Å | 1.10Å | |
| CG2 | HG2 | sing | 1.09Å | 1.10Å | |
| CG2 | HG2A | sing | 1.09Å | 1.10Å | |
| CG2 | HG2B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 122.1° | 119.9° |
| O | C | CAY | 117.6° | 120.0° |
| CA | C | CAY | 120.1° | 120.0° |
| C | CA | N | 109.2° | 109.5° |
| C | CA | CB | 118.4° | 109.5° |
| C | CA | HA | 100.2° | 109.5° |
| C | CAY | CAP | 108.0° | 109.5° |
| C | CAY | CAQ | 109.9° | 109.5° |
| C | CAY | HAY | 110.0° | 109.5° |
| CA | N | CAT | 127.6° | 120.0° |
| N | CA | CB | 94.9° | 109.5° |
| CA | N | HN | 116.2° | 120.0° |
| N | CA | HA | 122.0° | 109.4° |
| N | CAT | OAE | 119.6° | 120.0° |
| N | CAT | NAR | 115.4° | 120.0° |
| CAT | N | HN | 116.2° | 120.0° |
| CA | CB | CG1 | 109.1° | 109.4° |
| CA | CB | CG2 | 114.1° | 109.4° |
| CB | CA | HA | 113.4° | 109.5° |
| CA | CB | HB | 108.7° | 109.5° |
| CG1 | CB | CG2 | 115.0° | 109.5° |
| CG1 | CB | HB | 107.6° | 109.5° |
| CB | CG1 | HG1 | 109.5° | 109.5° |
| CB | CG1 | HG1A | 109.5° | 109.4° |
| CB | CG1 | HG1B | 109.4° | 109.4° |
| CG2 | CB | HB | 101.8° | 109.5° |
| CB | CG2 | HG2 | 109.5° | 109.5° |
| CB | CG2 | HG2A | 109.5° | 109.4° |
| CB | CG2 | HG2B | 109.5° | 109.5° |
| CAA | CAN | CAO | 107.2° | 109.4° |
| CAN | CAA | HAA | 109.5° | 109.5° |
| CAN | CAA | HAAA | 109.4° | 109.4° |
| CAN | CAA | HAAB | 109.5° | 109.4° |
| CAA | CAN | HAN | 110.2° | 109.4° |
| CAA | CAN | HANA | 110.2° | 109.5° |
| OAD | CAI | NBA | 121.6° | 120.0° |
| OAD | CAI | HAI | 119.2° | 120.0° |
| OAE | CAT | NAR | 125.0° | 120.0° |
| OAG | NBA | CAI | 118.4° | 120.0° |
| OAG | NBA | CAQ | 118.9° | 120.0° |
| NBA | OAG | HOAG | 109.5° | 114.0° |
| FAH | CAV | CAL | 120.9° | 120.0° |
| FAH | CAV | CAW | 117.0° | 120.1° |
| CAI | NBA | CAQ | 122.8° | 120.0° |
| NBA | CAI | HAI | 119.2° | 120.0° |
| CAK | CAJ | CAL | 120.4° | 120.1° |
| CAJ | CAK | CAM | 121.3° | 120.1° |
| CAK | CAJ | HAJ | 119.8° | 120.0° |
| CAJ | CAK | HAK | 119.4° | 119.9° |
| CAJ | CAL | CAV | 117.8° | 120.0° |
| CAL | CAJ | HAJ | 119.8° | 119.9° |
| CAJ | CAL | HAL | 121.1° | 120.0° |
| CAK | CAM | CAW | 117.7° | 120.0° |
| CAM | CAK | HAK | 119.4° | 120.0° |
| CAK | CAM | HAM | 121.2° | 120.1° |
| CAL | CAV | CAW | 122.1° | 119.9° |
| CAV | CAL | HAL | 121.1° | 120.0° |
| CAM | CAW | NAR | 127.4° | 120.1° |
| CAM | CAW | CAV | 120.8° | 119.8° |
| CAW | CAM | HAM | 121.2° | 120.0° |
| CAN | CAO | CAP | 110.7° | 109.5° |
| CAO | CAN | HAN | 110.2° | 109.5° |
| CAO | CAN | HANA | 110.3° | 109.5° |
| CAN | CAO | HAO | 109.1° | 109.5° |
| CAN | CAO | HAOA | 109.1° | 109.5° |
| CAO | CAP | CAY | 109.6° | 109.5° |
| CAP | CAO | HAO | 109.1° | 109.5° |
| CAP | CAO | HAOA | 109.1° | 109.4° |
| CAO | CAP | HAP | 109.4° | 109.5° |
| CAO | CAP | HAPA | 109.4° | 109.4° |
| CAP | CAY | CAQ | 108.8° | 109.5° |
| CAY | CAP | HAP | 109.4° | 109.5° |
| CAY | CAP | HAPA | 109.4° | 109.5° |
| CAP | CAY | HAY | 111.0° | 109.5° |
| CAY | CAQ | NBA | 110.0° | 109.5° |
| CAY | CAQ | HAQ | 109.3° | 109.4° |
| CAY | CAQ | HAQA | 109.3° | 109.5° |
| CAQ | CAY | HAY | 109.2° | 109.4° |
| NBA | CAQ | HAQ | 109.3° | 109.4° |
| NBA | CAQ | HAQA | 109.3° | 109.5° |
| CAT | NAR | CAW | 120.3° | 120.0° |
| CAT | NAR | HNAR | 119.8° | 120.0° |
| NAR | CAW | CAV | 111.6° | 120.0° |
| CAW | NAR | HNAR | 119.8° | 120.0° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAN | CAN | HANA | 108.7° | 109.5° |
| HAO | CAO | HAOA | 109.9° | 109.5° |
| HAP | CAP | HAPA | 109.5° | 109.5° |
| HAQ | CAQ | HAQA | 109.6° | 109.5° |
| HG1 | CG1 | HG1A | 109.4° | 109.5° |
| HG1 | CG1 | HG1B | 109.5° | 109.5° |
| HG1A | CG1 | HG1B | 109.5° | 109.5° |
| HG2 | CG2 | HG2A | 109.5° | 109.5° |
| HG2 | CG2 | HG2B | 109.5° | 109.5° |
| HG2A | CG2 | HG2B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | CAY | 174.5° | 179.7° |
| O | C | CA | N | 13.7° | 179.2° |
| O | C | CA | CB | 120.6° | 60.8° |
| O | C | CAY | CAP | 59.2° | 36.8° |
| O | C | CAY | CAQ | 59.3° | 83.2° |
| O | C | CA | HA | 115.6° | 59.3° |
| O | C | CAY | HAY | 179.5° | 156.9° |
| C | CA | N | CB | 122.3° | 120.1° |
| C | CA | N | HA | 116.0° | 119.9° |
| C | CA | N | CAT | 79.7° | 150.1° |
| C | CA | CB | HA | 117.0° | 120.0° |
| C | CA | CB | CG1 | 128.4° | 54.7° |
| C | CA | CB | CG2 | 1.8° | 65.2° |
| CA | C | CAY | CAP | 115.5° | 143.4° |
| CA | C | CAY | CAQ | 126.0° | 96.5° |
| C | CA | N | HN | 100.3° | 29.9° |
| C | CA | CB | HB | 114.5° | 174.8° |
| CA | C | CAY | HAY | 5.8° | 23.4° |
| CAY | C | CA | N | 171.8° | 0.6° |
| CAY | C | CA | CB | 64.9° | 119.5° |
| C | CAY | CAP | CAO | 63.9° | 172.7° |
| C | CAY | CAP | CAQ | 119.2° | 120.0° |
| C | CAY | CAP | HAY | 120.6° | 120.0° |
| C | CAY | CAQ | HAY | 120.7° | 120.0° |
| C | CAY | CAQ | NBA | 176.2° | 62.6° |
| CAY | C | CA | HA | 58.9° | 120.5° |
| C | CAY | CAP | HAP | 56.1° | 52.7° |
| C | CAY | CAP | HAPA | 176.1° | 67.3° |
| C | CAY | CAQ | HAQ | 56.2° | 57.4° |
| C | CAY | CAQ | HAQA | 63.7° | 177.4° |
| CA | N | CAT | HN | 180.0° | 180.0° |
| N | CA | CB | HA | 128.1° | 119.9° |
| N | CA | CB | CG1 | 116.7° | 65.3° |
| N | CA | CB | CG2 | 113.1° | 174.8° |
| CA | N | CAT | OAE | 2.6° | 0.0° |
| CA | N | CAT | NAR | 176.9° | 180.0° |
| N | CA | CB | HB | 0.3° | 54.8° |
| CAT | N | CA | CB | 158.0° | 89.9° |
| N | CAT | OAE | NAR | 179.5° | 180.0° |
| N | CAT | NAR | CAW | 169.7° | 175.0° |
| CAT | N | CA | HA | 36.3° | 30.1° |
| N | CAT | NAR | HNAR | 10.3° | 5.0° |
| CA | CB | CG1 | CG2 | 129.7° | 119.9° |
| CA | CB | CG1 | HB | 117.7° | 120.0° |
| CA | CB | CG2 | HB | 116.8° | 120.0° |
| CB | CA | N | HN | 22.0° | 90.1° |
| CA | CB | CG1 | HG1 | 180.0° | 59.9° |
| CA | CB | CG1 | HG1A | 60.0° | 180.0° |
| CA | CB | CG1 | HG1B | 60.0° | 60.1° |
| CA | CB | CG2 | HG2 | 180.0° | 61.9° |
| CA | CB | CG2 | HG2A | 60.0° | 178.1° |
| CA | CB | CG2 | HG2B | 60.0° | 58.1° |
| CG1 | CB | CG2 | HB | 116.0° | 120.1° |
| CG1 | CB | CA | HA | 11.4° | 174.8° |
| CB | CG1 | HG1 | HG1A | 120.0° | 120.0° |
| CB | CG1 | HG1 | HG1B | 120.0° | 119.9° |
| CB | CG1 | HG1A | HG1B | 120.0° | 119.9° |
| CG1 | CB | CG2 | HG2 | 52.8° | 178.1° |
| CG1 | CB | CG2 | HG2A | 172.8° | 58.1° |
| CG1 | CB | CG2 | HG2B | 67.2° | 61.9° |
| CG2 | CB | CA | HA | 118.8° | 54.8° |
| CG2 | CB | CG1 | HG1 | 50.3° | 60.0° |
| CG2 | CB | CG1 | HG1A | 69.7° | 60.0° |
| CG2 | CB | CG1 | HG1B | 170.3° | 180.0° |
| CB | CG2 | HG2 | HG2A | 120.0° | 120.0° |
| CB | CG2 | HG2 | HG2B | 120.0° | 120.1° |
| CB | CG2 | HG2A | HG2B | 120.0° | 120.0° |
| CAA | CAN | CAO | HAN | 120.0° | 120.0° |
| CAA | CAN | CAO | HANA | 120.0° | 120.0° |
| CAA | CAN | CAO | CAP | 159.4° | 180.0° |
| CAN | CAA | HAA | HAAA | 120.0° | 119.9° |
| CAN | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAN | CAA | HAAA | HAAB | 120.0° | 119.9° |
| CAA | CAN | HAN | HANA | 120.9° | 120.0° |
| CAA | CAN | CAO | HAO | 80.6° | 60.0° |
| CAA | CAN | CAO | HAOA | 39.4° | 60.0° |
| OAD | CAI | NBA | OAG | 5.3° | 0.0° |
| OAD | CAI | NBA | HAI | 180.0° | 180.0° |
| OAD | CAI | NBA | CAQ | 174.4° | 180.0° |
| OAE | CAT | NAR | CAW | 10.7° | 5.0° |
| OAE | CAT | N | HN | 177.4° | 180.0° |
| OAE | CAT | NAR | HNAR | 169.3° | 175.0° |
| OAG | NBA | CAI | CAQ | 179.7° | 180.0° |
| OAG | NBA | CAQ | CAY | 86.8° | 98.7° |
| OAG | NBA | CAI | HAI | 174.7° | 180.0° |
| OAG | NBA | CAQ | HAQ | 33.2° | 141.4° |
| OAG | NBA | CAQ | HAQA | 153.2° | 21.4° |
| FAH | CAV | CAL | CAJ | 178.7° | 180.0° |
| FAH | CAV | CAL | CAW | 179.4° | 180.0° |
| FAH | CAV | CAW | CAM | 177.4° | 179.9° |
| FAH | CAV | CAW | NAR | 2.1° | 0.0° |
| FAH | CAV | CAL | HAL | 1.3° | 0.0° |
| CAI | NBA | CAQ | CAY | 92.8° | 81.4° |
| CAI | NBA | OAG | HOAG | 2.4° | 180.0° |
| CAI | NBA | CAQ | HAQ | 147.1° | 38.6° |
| CAI | NBA | CAQ | HAQA | 27.2° | 158.6° |
| CAK | CAJ | CAL | HAJ | 180.0° | 179.8° |
| CAJ | CAK | CAM | HAK | 180.0° | 180.0° |
| CAK | CAJ | CAL | CAV | 0.2° | 0.0° |
| CAJ | CAK | CAM | CAW | 2.1° | 0.0° |
| CAK | CAJ | CAL | HAL | 179.8° | 180.0° |
| CAJ | CAK | CAM | HAM | 177.9° | 180.0° |
| CAL | CAJ | CAK | CAM | 0.9° | 0.0° |
| CAJ | CAL | CAV | HAL | 180.0° | 180.0° |
| CAJ | CAL | CAV | CAW | 0.8° | 0.0° |
| CAL | CAJ | CAK | HAK | 179.1° | 180.0° |
| CAK | CAM | CAW | HAM | 180.0° | 180.0° |
| CAK | CAM | CAW | NAR | 177.2° | 180.0° |
| CAK | CAM | CAW | CAV | 2.7° | 0.0° |
| CAM | CAK | CAJ | HAJ | 179.1° | 179.8° |
| CAL | CAV | CAW | CAM | 2.1° | 0.0° |
| CAL | CAV | CAW | NAR | 177.4° | 180.0° |
| CAV | CAL | CAJ | HAJ | 179.8° | 179.8° |
| CAM | CAW | NAR | CAT | 43.5° | 32.1° |
| CAM | CAW | NAR | CAV | 174.9° | 180.0° |
| CAW | CAM | CAK | HAK | 177.9° | 180.0° |
| CAM | CAW | NAR | HNAR | 136.5° | 147.8° |
| CAN | CAO | CAP | HAO | 120.0° | 120.0° |
| CAN | CAO | CAP | HAOA | 120.0° | 120.0° |
| CAN | CAO | CAP | CAY | 166.8° | 174.7° |
| CAO | CAN | CAA | HAA | 180.0° | 60.0° |
| CAO | CAN | CAA | HAAA | 60.0° | 180.0° |
| CAO | CAN | CAA | HAAB | 60.0° | 60.1° |
| CAO | CAN | HAN | HANA | 120.9° | 120.0° |
| CAN | CAO | HAO | HAOA | 119.5° | 120.0° |
| CAN | CAO | CAP | HAP | 73.2° | 54.7° |
| CAN | CAO | CAP | HAPA | 46.8° | 65.3° |
| CAO | CAP | CAY | HAP | 120.0° | 120.0° |
| CAO | CAP | CAY | HAPA | 120.0° | 120.0° |
| CAO | CAP | CAY | CAQ | 176.9° | 67.3° |
| CAP | CAO | CAN | HAN | 39.4° | 60.0° |
| CAP | CAO | CAN | HANA | 80.6° | 60.0° |
| CAP | CAO | HAO | HAOA | 119.5° | 120.0° |
| CAO | CAP | HAP | HAPA | 119.9° | 119.9° |
| CAO | CAP | CAY | HAY | 56.8° | 52.7° |
| CAP | CAY | CAQ | HAY | 121.3° | 120.0° |
| CAP | CAY | CAQ | NBA | 65.7° | 177.4° |
| CAY | CAP | CAO | HAO | 46.9° | 65.2° |
| CAY | CAP | CAO | HAOA | 73.2° | 54.8° |
| CAY | CAP | HAP | HAPA | 120.0° | 120.0° |
| CAP | CAY | CAQ | HAQ | 174.2° | 62.6° |
| CAP | CAY | CAQ | HAQA | 54.3° | 57.4° |
| CAY | CAQ | NBA | HAQ | 120.0° | 119.9° |
| CAY | CAQ | NBA | HAQA | 120.0° | 120.0° |
| CAQ | CAY | CAP | HAP | 63.1° | 172.7° |
| CAQ | CAY | CAP | HAPA | 56.9° | 52.7° |
| CAY | CAQ | HAQ | HAQA | 119.8° | 120.0° |
| CAQ | NBA | OAG | HOAG | 177.3° | 0.0° |
| CAQ | NBA | CAI | HAI | 5.6° | 0.0° |
| NBA | CAQ | HAQ | HAQA | 119.8° | 120.0° |
| NBA | CAQ | CAY | HAY | 55.6° | 57.4° |
| CAT | NAR | CAW | HNAR | 180.0° | 180.0° |
| CAT | NAR | CAW | CAV | 131.5° | 147.9° |
| NAR | CAT | N | HN | 3.1° | 0.0° |
| NAR | CAW | CAM | HAM | 2.8° | 0.0° |
| CAW | CAV | CAL | HAL | 179.2° | 180.0° |
| CAV | CAW | CAM | HAM | 177.3° | 180.0° |
| CAV | CAW | NAR | HNAR | 48.5° | 32.1° |
| HN | N | CA | HA | 143.7° | 149.9° |
| HA | CA | CB | HB | 128.5° | 65.2° |
| HB | CB | CG1 | HG1 | 62.3° | 180.0° |
| HB | CB | CG1 | HG1A | 177.7° | 60.0° |
| HB | CB | CG1 | HG1B | 57.7° | 60.0° |
| HB | CB | CG2 | HG2 | 63.2° | 58.1° |
| HB | CB | CG2 | HG2A | 56.8° | 61.9° |
| HB | CB | CG2 | HG2B | 176.8° | 178.1° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.1° |
| HAA | CAA | CAN | HAN | 60.0° | 180.0° |
| HAA | CAA | CAN | HANA | 60.0° | 60.0° |
| HAAA | CAA | CAN | HAN | 60.0° | 60.0° |
| HAAA | CAA | CAN | HANA | 180.0° | 60.0° |
| HAAB | CAA | CAN | HAN | 180.0° | 59.9° |
| HAAB | CAA | CAN | HANA | 60.0° | 180.0° |
| HAJ | CAJ | CAK | HAK | 0.9° | 0.2° |
| HAJ | CAJ | CAL | HAL | 0.2° | 0.3° |
| HAK | CAK | CAM | HAM | 2.1° | 0.0° |
| HAN | CAN | CAO | HAO | 159.4° | 180.0° |
| HAN | CAN | CAO | HAOA | 80.6° | 59.9° |
| HANA | CAN | CAO | HAO | 39.4° | 60.0° |
| HANA | CAN | CAO | HAOA | 159.4° | NaN° |
| HAO | CAO | CAP | HAP | 166.9° | 174.7° |
| HAO | CAO | CAP | HAPA | 73.1° | 54.8° |
| HAOA | CAO | CAP | HAP | 46.8° | 65.3° |
| HAOA | CAO | CAP | HAPA | 166.8° | 174.8° |
| HAP | CAP | CAY | HAY | 176.8° | 67.3° |
| HAPA | CAP | CAY | HAY | 63.2° | 172.7° |
| HAQ | CAQ | CAY | HAY | 64.5° | 177.3° |
| HAQA | CAQ | CAY | HAY | 175.6° | 62.7° |
| HG1 | CG1 | HG1A | HG1B | 120.0° | 120.1° |
| HG2 | CG2 | HG2A | HG2B | 120.0° | 120.0° |
