FXE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAB | sing | 1.43Å | 1.44Å | |
| OAB | CAE | sing | 1.36Å | 1.37Å | |
| CAE | CAF | sing | 1.40Å | 1.34Å | Aromatic |
| CAE | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAP | doub | 1.41Å | 1.33Å | Aromatic |
| CAF | CAG | sing | 1.46Å | 1.32Å | Aromatic |
| CAD | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| CAO | CAP | sing | 1.39Å | 1.34Å | Aromatic |
| CAP | NAQ | sing | 1.37Å | 1.35Å | Aromatic |
| NAQ | CAV | sing | 1.47Å | 1.50Å | |
| NAQ | NAR | sing | 1.40Å | 1.24Å | Aromatic |
| NAR | CAG | doub | 1.31Å | 1.35Å | Aromatic |
| CAG | NAH | sing | 1.40Å | 1.33Å | |
| NAH | CAI | sing | 1.35Å | 1.33Å | |
| CAI | OAC | doub | 1.22Å | 1.25Å | |
| CAI | NAJ | sing | 1.35Å | 1.34Å | |
| NAJ | CAK | sing | 1.40Å | 1.33Å | |
| CAK | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | CAS | doub | 1.39Å | 1.38Å | Aromatic |
| CAL | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | CAU | sing | 1.38Å | 1.38Å | Aromatic |
| CAU | CAT | doub | 1.38Å | 1.38Å | Aromatic |
| CAT | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | OAW | sing | 1.36Å | 1.38Å | |
| OAW | CAX | sing | 1.43Å | 1.40Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAV | HAV1 | sing | 1.09Å | 1.10Å | |
| CAV | HAV2 | sing | 1.09Å | 1.10Å | |
| CAV | HAV3 | sing | 1.09Å | 1.10Å | |
| NAH | HAH | sing | 0.97Å | 1.00Å | |
| NAJ | HAJ | sing | 0.97Å | 1.00Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAX | HAX1 | sing | 1.09Å | 1.10Å | |
| CAX | HAX2 | sing | 1.09Å | 1.10Å | |
| CAX | HAX3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAB | CAE | 114.0° | 117.0° |
| OAB | CAA | HAA1 | 109.5° | 109.4° |
| OAB | CAA | HAA2 | 109.5° | 109.4° |
| OAB | CAA | HAA3 | 109.5° | 109.5° |
| OAB | CAE | CAF | 115.6° | 120.2° |
| OAB | CAE | CAD | 124.2° | 120.2° |
| CAF | CAE | CAD | 120.2° | 119.5° |
| CAE | CAF | CAP | 122.3° | 119.8° |
| CAE | CAF | CAG | 132.2° | 133.9° |
| CAE | CAD | CAN | 117.8° | 120.5° |
| CAE | CAD | HAD | 121.1° | 119.8° |
| CAP | CAF | CAG | 105.4° | 106.3° |
| CAF | CAP | CAO | 120.4° | 119.5° |
| CAF | CAP | NAQ | 108.3° | 106.8° |
| CAF | CAG | NAR | 108.9° | 107.6° |
| CAF | CAG | NAH | 126.1° | 126.2° |
| CAD | CAN | CAO | 118.9° | 120.7° |
| CAN | CAD | HAD | 121.1° | 119.8° |
| CAD | CAN | HAN | 120.5° | 119.7° |
| CAN | CAO | CAP | 120.3° | 120.0° |
| CAO | CAN | HAN | 120.5° | 119.6° |
| CAN | CAO | HAO | 119.8° | 120.0° |
| CAO | CAP | NAQ | 131.3° | 133.7° |
| CAP | CAO | HAO | 119.8° | 120.0° |
| CAP | NAQ | CAV | 126.0° | 125.4° |
| CAP | NAQ | NAR | 108.6° | 109.2° |
| CAV | NAQ | NAR | 125.4° | 125.4° |
| NAQ | CAV | HAV1 | 109.5° | 109.5° |
| NAQ | CAV | HAV2 | 109.5° | 109.4° |
| NAQ | CAV | HAV3 | 109.5° | 109.4° |
| NAQ | NAR | CAG | 108.7° | 110.0° |
| NAR | CAG | NAH | 124.8° | 126.2° |
| CAG | NAH | CAI | 122.1° | 120.0° |
| CAG | NAH | HAH | 118.9° | 120.0° |
| NAH | CAI | OAC | 119.4° | 120.0° |
| NAH | CAI | NAJ | 119.6° | 120.0° |
| CAI | NAH | HAH | 119.0° | 120.1° |
| OAC | CAI | NAJ | 120.9° | 120.0° |
| CAI | NAJ | CAK | 118.4° | 120.0° |
| CAI | NAJ | HAJ | 120.8° | 120.0° |
| NAJ | CAK | CAL | 126.0° | 120.1° |
| NAJ | CAK | CAS | 114.3° | 120.1° |
| CAK | NAJ | HAJ | 120.8° | 119.9° |
| CAL | CAK | CAS | 119.5° | 119.8° |
| CAK | CAL | CAM | 119.0° | 120.0° |
| CAK | CAL | HAL | 120.5° | 120.0° |
| CAK | CAS | CAT | 120.7° | 119.8° |
| CAK | CAS | OAW | 118.3° | 120.1° |
| CAL | CAM | CAU | 120.9° | 120.1° |
| CAM | CAL | HAL | 120.5° | 120.0° |
| CAL | CAM | HAM | 119.5° | 119.9° |
| CAM | CAU | CAT | 119.5° | 120.2° |
| CAU | CAM | HAM | 119.6° | 120.0° |
| CAM | CAU | HAU | 120.2° | 119.9° |
| CAU | CAT | CAS | 120.2° | 120.0° |
| CAT | CAU | HAU | 120.2° | 119.9° |
| CAU | CAT | HAT | 119.9° | 120.0° |
| CAT | CAS | OAW | 120.7° | 120.1° |
| CAS | CAT | HAT | 119.9° | 120.0° |
| CAS | OAW | CAX | 113.9° | 116.9° |
| OAW | CAX | HAX1 | 109.5° | 109.5° |
| OAW | CAX | HAX2 | 109.4° | 109.5° |
| OAW | CAX | HAX3 | 109.5° | 109.4° |
| HAA1 | CAA | HAA2 | 109.5° | 109.6° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.4° |
| HAV1 | CAV | HAV2 | 109.5° | 109.5° |
| HAV1 | CAV | HAV3 | 109.5° | 109.5° |
| HAV2 | CAV | HAV3 | 109.5° | 109.5° |
| HAX1 | CAX | HAX2 | 109.5° | 109.5° |
| HAX1 | CAX | HAX3 | 109.5° | 109.5° |
| HAX2 | CAX | HAX3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAB | CAE | CAF | 165.6° | 180.0° |
| CAA | OAB | CAE | CAD | 13.3° | 0.3° |
| OAB | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| OAB | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| OAB | CAA | HAA2 | HAA3 | 120.0° | 119.9° |
| OAB | CAE | CAF | CAD | 178.9° | 179.7° |
| OAB | CAE | CAF | CAP | 178.9° | 180.0° |
| OAB | CAE | CAF | CAG | 1.1° | 0.0° |
| OAB | CAE | CAD | CAN | 179.8° | 180.0° |
| CAE | OAB | CAA | HAA1 | 180.0° | 60.0° |
| CAE | OAB | CAA | HAA2 | 60.0° | 60.0° |
| CAE | OAB | CAA | HAA3 | 60.0° | 180.0° |
| OAB | CAE | CAD | HAD | 0.2° | 0.1° |
| CAE | CAF | CAP | CAG | 178.3° | 180.0° |
| CAF | CAE | CAD | CAN | 1.0° | 0.3° |
| CAE | CAF | CAP | CAO | 0.4° | 0.0° |
| CAE | CAF | CAP | NAQ | 179.7° | 180.0° |
| CAE | CAF | CAG | NAR | 179.3° | 180.0° |
| CAE | CAF | CAG | NAH | 3.6° | 0.1° |
| CAF | CAE | CAD | HAD | 179.1° | 179.7° |
| CAD | CAE | CAF | CAP | 0.1° | 0.3° |
| CAD | CAE | CAF | CAG | 177.8° | 179.7° |
| CAE | CAD | CAN | HAD | 180.0° | 179.9° |
| CAE | CAD | CAN | CAO | 1.6° | 0.0° |
| CAE | CAD | CAN | HAN | 178.4° | 179.9° |
| CAF | CAP | CAO | CAN | 0.3° | 0.2° |
| CAF | CAP | CAO | NAQ | 179.9° | 180.0° |
| CAF | CAP | NAQ | CAV | 179.8° | 180.0° |
| CAF | CAP | NAQ | NAR | 0.4° | 0.0° |
| CAP | CAF | CAG | NAR | 2.6° | 0.0° |
| CAP | CAF | CAG | NAH | 178.3° | 179.9° |
| CAF | CAP | CAO | HAO | 179.7° | 180.0° |
| CAG | CAF | CAP | CAO | 178.7° | 180.0° |
| CAG | CAF | CAP | NAQ | 1.4° | 0.0° |
| CAF | CAG | NAR | NAQ | 3.0° | 0.1° |
| CAF | CAG | NAR | NAH | 175.8° | 179.9° |
| CAF | CAG | NAH | CAI | 179.3° | 180.0° |
| CAF | CAG | NAH | HAH | 0.7° | 0.1° |
| CAD | CAN | CAO | HAN | 180.0° | 179.9° |
| CAD | CAN | CAO | CAP | 1.3° | 0.2° |
| CAD | CAN | CAO | HAO | 178.7° | 180.0° |
| CAN | CAO | CAP | HAO | 180.0° | 179.8° |
| CAN | CAO | CAP | NAQ | 179.6° | 179.8° |
| CAO | CAN | CAD | HAD | 178.4° | 180.0° |
| CAO | CAP | NAQ | CAV | 0.3° | 0.1° |
| CAO | CAP | NAQ | NAR | 179.5° | 179.9° |
| CAP | CAO | CAN | HAN | 178.7° | 179.7° |
| CAP | NAQ | CAV | NAR | 179.8° | 180.0° |
| CAP | NAQ | NAR | CAG | 2.0° | 0.1° |
| NAQ | CAP | CAO | HAO | 0.4° | 0.0° |
| CAP | NAQ | CAV | HAV1 | 179.8° | 90.0° |
| CAP | NAQ | CAV | HAV2 | 59.8° | 149.9° |
| CAP | NAQ | CAV | HAV3 | 60.2° | 30.0° |
| CAV | NAQ | NAR | CAG | 178.2° | 179.9° |
| NAQ | CAV | HAV1 | HAV2 | 120.0° | 120.0° |
| NAQ | CAV | HAV1 | HAV3 | 120.0° | 120.0° |
| NAQ | CAV | HAV2 | HAV3 | 120.0° | 119.9° |
| NAQ | NAR | CAG | NAH | 178.8° | 180.0° |
| NAR | NAQ | CAV | HAV1 | 0.0° | 90.0° |
| NAR | NAQ | CAV | HAV2 | 120.0° | 30.1° |
| NAR | NAQ | CAV | HAV3 | 120.0° | 150.0° |
| NAR | CAG | NAH | CAI | 5.7° | 0.1° |
| NAR | CAG | NAH | HAH | 174.4° | 180.0° |
| CAG | NAH | CAI | HAH | 180.0° | 179.9° |
| CAG | NAH | CAI | OAC | 177.0° | 0.0° |
| CAG | NAH | CAI | NAJ | 7.1° | 179.9° |
| NAH | CAI | OAC | NAJ | 175.9° | 179.9° |
| NAH | CAI | NAJ | CAK | 178.2° | 175.6° |
| NAH | CAI | NAJ | HAJ | 1.8° | 4.4° |
| OAC | CAI | NAJ | CAK | 5.9° | 4.5° |
| OAC | CAI | NAH | HAH | 3.1° | 180.0° |
| OAC | CAI | NAJ | HAJ | 174.1° | 175.5° |
| CAI | NAJ | CAK | HAJ | 180.0° | 180.0° |
| CAI | NAJ | CAK | CAL | 7.9° | 34.6° |
| CAI | NAJ | CAK | CAS | 166.7° | 145.5° |
| NAJ | CAI | NAH | HAH | 172.9° | 0.0° |
| NAJ | CAK | CAL | CAS | 174.4° | 179.8° |
| NAJ | CAK | CAL | CAM | 176.2° | 180.0° |
| NAJ | CAK | CAS | CAT | 178.8° | 179.8° |
| NAJ | CAK | CAS | OAW | 6.2° | 0.1° |
| NAJ | CAK | CAL | HAL | 3.8° | 0.0° |
| CAK | CAL | CAM | HAL | 180.0° | 180.0° |
| CAK | CAL | CAM | CAU | 1.4° | 0.1° |
| CAL | CAK | CAS | CAT | 3.8° | 0.4° |
| CAL | CAK | CAS | OAW | 178.8° | 179.7° |
| CAL | CAK | NAJ | HAJ | 172.0° | 145.4° |
| CAK | CAL | CAM | HAM | 178.7° | 180.0° |
| CAS | CAK | CAL | CAM | 1.8° | 0.2° |
| CAK | CAS | CAT | CAU | 2.5° | 0.4° |
| CAK | CAS | CAT | OAW | 174.9° | 179.9° |
| CAK | CAS | OAW | CAX | 86.3° | 180.0° |
| CAS | CAK | NAJ | HAJ | 13.3° | 34.4° |
| CAS | CAK | CAL | HAL | 178.2° | 179.8° |
| CAK | CAS | CAT | HAT | 177.4° | 179.8° |
| CAL | CAM | CAU | HAM | 180.0° | 179.9° |
| CAL | CAM | CAU | CAT | 2.6° | 0.1° |
| CAL | CAM | CAU | HAU | 177.4° | 180.0° |
| CAM | CAU | CAT | HAU | 180.0° | 179.9° |
| CAM | CAU | CAT | CAS | 0.7° | 0.2° |
| CAU | CAM | CAL | HAL | 178.6° | 179.9° |
| CAM | CAU | CAT | HAT | 179.3° | 180.0° |
| CAU | CAT | CAS | HAT | 180.0° | 179.8° |
| CAU | CAT | CAS | OAW | 177.5° | 179.7° |
| CAT | CAU | CAM | HAM | 177.4° | 180.0° |
| CAT | CAS | OAW | CAX | 98.7° | 0.2° |
| CAS | CAT | CAU | HAU | 179.3° | 179.7° |
| OAW | CAS | CAT | HAT | 2.5° | 0.1° |
| CAS | OAW | CAX | HAX1 | 180.0° | 60.0° |
| CAS | OAW | CAX | HAX2 | 60.0° | 60.1° |
| CAS | OAW | CAX | HAX3 | 60.0° | 180.0° |
| OAW | CAX | HAX1 | HAX2 | 120.0° | 120.1° |
| OAW | CAX | HAX1 | HAX3 | 120.0° | 119.9° |
| OAW | CAX | HAX2 | HAX3 | 120.0° | 119.9° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.1° |
| HAD | CAD | CAN | HAN | 1.6° | 0.1° |
| HAN | CAN | CAO | HAO | 1.3° | 0.1° |
| HAV1 | CAV | HAV2 | HAV3 | 120.0° | 120.1° |
| HAL | CAL | CAM | HAM | 1.4° | 0.0° |
| HAM | CAM | CAU | HAU | 2.6° | 0.1° |
| HAU | CAU | CAT | HAT | 0.6° | 0.1° |
| HAX1 | CAX | HAX2 | HAX3 | 120.0° | 120.0° |
