XEG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAS | doub | 1.21Å | 1.27Å | |
| CAT | OAB | sing | 1.36Å | 1.38Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAU | OAC | sing | 1.36Å | 1.38Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAV | OAD | sing | 1.36Å | 1.37Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| OAE | CAW | sing | 1.36Å | 1.38Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| CAX | OAF | sing | 1.36Å | 1.38Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| OAG | CAY | sing | 1.36Å | 1.38Å | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| CBB | OAH | sing | 1.36Å | 1.38Å | |
| OAH | HOAH | sing | 0.97Å | 0.95Å | |
| CAJ | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAU | sing | 1.39Å | 1.38Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CBA | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAY | CAK | doub | 1.38Å | 1.41Å | Aromatic |
| CAK | CAT | sing | 1.39Å | 1.44Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAW | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAZ | sing | 1.40Å | 1.38Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAZ | CAM | doub | 1.40Å | 1.38Å | Aromatic |
| CAM | CAX | sing | 1.38Å | 1.38Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CBC | CAN | sing | 1.39Å | 1.42Å | Aromatic |
| CAN | CAT | doub | 1.39Å | 1.41Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CBA | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CBE | CAP | sing | 1.53Å | 1.51Å | |
| CAP | CBD | sing | 1.51Å | 1.51Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAS | OAQ | sing | 1.35Å | 1.28Å | |
| OAQ | CBE | sing | 1.45Å | 1.44Å | |
| CBF | OAR | sing | 1.43Å | 1.39Å | |
| OAR | CBC | sing | 1.36Å | 1.39Å | |
| CAS | CAZ | sing | 1.48Å | 1.48Å | |
| CAU | CAV | doub | 1.39Å | 1.37Å | Aromatic |
| CAW | CBB | sing | 1.39Å | 1.39Å | Aromatic |
| CBB | CAX | doub | 1.39Å | 1.40Å | Aromatic |
| CBD | CAY | sing | 1.39Å | 1.43Å | Aromatic |
| CBF | CBA | sing | 1.51Å | 1.53Å | |
| CBD | CBC | doub | 1.38Å | 1.44Å | Aromatic |
| CBE | CBF | sing | 1.53Å | 1.51Å | |
| CBE | HBE | sing | 1.09Å | 1.10Å | |
| CBF | HBF | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAS | OAQ | 122.3° | 120.0° |
| OAA | CAS | CAZ | 119.7° | 120.0° |
| CAT | OAB | HOAB | 109.5° | 114.0° |
| OAB | CAT | CAK | 120.5° | 120.1° |
| OAB | CAT | CAN | 118.7° | 120.1° |
| CAU | OAC | HOAC | 109.5° | 114.1° |
| OAC | CAU | CAI | 122.1° | 120.1° |
| OAC | CAU | CAV | 118.0° | 120.0° |
| CAV | OAD | HOAD | 109.5° | 114.0° |
| OAD | CAV | CAO | 121.9° | 120.1° |
| OAD | CAV | CAU | 117.6° | 120.1° |
| CAW | OAE | HOAE | 109.5° | 114.0° |
| OAE | CAW | CAL | 120.6° | 119.9° |
| OAE | CAW | CBB | 119.5° | 119.9° |
| CAX | OAF | HOAF | 109.5° | 114.0° |
| OAF | CAX | CAM | 118.5° | 120.0° |
| OAF | CAX | CBB | 121.8° | 120.0° |
| CAY | OAG | HOAG | 109.5° | 113.9° |
| OAG | CAY | CAK | 118.8° | 119.9° |
| OAG | CAY | CBD | 122.4° | 119.8° |
| CBB | OAH | HOAH | 109.5° | 114.0° |
| OAH | CBB | CAW | 119.2° | 120.0° |
| OAH | CBB | CAX | 120.9° | 120.0° |
| CAJ | CAI | CAU | 120.2° | 120.0° |
| CAJ | CAI | HAI | 119.9° | 120.0° |
| CAI | CAJ | CBA | 120.1° | 120.1° |
| CAI | CAJ | HAJ | 120.0° | 119.9° |
| CAU | CAI | HAI | 119.9° | 120.0° |
| CAI | CAU | CAV | 119.9° | 119.8° |
| CBA | CAJ | HAJ | 119.9° | 119.9° |
| CAJ | CBA | CAO | 119.0° | 120.1° |
| CAJ | CBA | CBF | 120.8° | 119.9° |
| CAY | CAK | CAT | 120.4° | 119.9° |
| CAY | CAK | HAK | 119.8° | 120.1° |
| CAK | CAY | CBD | 118.8° | 120.3° |
| CAT | CAK | HAK | 119.8° | 120.0° |
| CAK | CAT | CAN | 120.8° | 119.9° |
| CAW | CAL | CAZ | 119.2° | 119.9° |
| CAW | CAL | HAL | 120.4° | 120.1° |
| CAL | CAW | CBB | 120.0° | 120.1° |
| CAZ | CAL | HAL | 120.4° | 120.1° |
| CAL | CAZ | CAM | 121.4° | 119.9° |
| CAL | CAZ | CAS | 120.0° | 120.0° |
| CAZ | CAM | CAX | 119.8° | 119.9° |
| CAZ | CAM | HAM | 120.1° | 120.0° |
| CAM | CAZ | CAS | 118.5° | 120.1° |
| CAX | CAM | HAM | 120.1° | 120.1° |
| CAM | CAX | CBB | 119.7° | 120.1° |
| CBC | CAN | CAT | 119.4° | 120.3° |
| CBC | CAN | HAN | 120.3° | 119.8° |
| CAN | CBC | OAR | 119.4° | 118.4° |
| CAN | CBC | CBD | 120.1° | 119.8° |
| CAT | CAN | HAN | 120.3° | 119.9° |
| CBA | CAO | CAV | 120.3° | 120.0° |
| CBA | CAO | HAO | 119.8° | 120.0° |
| CAO | CBA | CBF | 120.0° | 119.9° |
| CAV | CAO | HAO | 119.8° | 120.0° |
| CAO | CAV | CAU | 120.5° | 119.9° |
| CBE | CAP | CBD | 116.5° | 109.7° |
| CBE | CAP | HAP | 107.2° | 109.4° |
| CBE | CAP | HAPA | 107.2° | 109.4° |
| CAP | CBE | OAQ | 113.3° | 109.7° |
| CAP | CBE | CBF | 114.0° | 108.4° |
| CAP | CBE | HBE | 103.8° | 109.7° |
| CBD | CAP | HAP | 107.2° | 109.5° |
| CBD | CAP | HAPA | 107.2° | 109.4° |
| CAP | CBD | CAY | 121.0° | 118.7° |
| CAP | CBD | CBC | 118.5° | 121.4° |
| HAP | CAP | HAPA | 111.7° | 109.4° |
| CAS | OAQ | CBE | 124.3° | 117.0° |
| OAQ | CAS | CAZ | 117.8° | 120.0° |
| OAQ | CBE | CBF | 110.7° | 109.7° |
| OAQ | CBE | HBE | 107.6° | 109.7° |
| CBF | OAR | CBC | 115.1° | 117.8° |
| OAR | CBF | CBA | 109.1° | 109.6° |
| OAR | CBF | CBE | 115.8° | 108.2° |
| OAR | CBF | HBF | 106.5° | 109.9° |
| OAR | CBC | CBD | 120.5° | 121.8° |
| CAW | CBB | CAX | 119.9° | 120.1° |
| CAY | CBD | CBC | 120.5° | 119.9° |
| CBA | CBF | CBE | 112.9° | 109.7° |
| CBA | CBF | HBF | 109.8° | 109.7° |
| CBF | CBE | HBE | 106.8° | 109.7° |
| CBE | CBF | HBF | 102.1° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAS | CAZ | CAL | 82.4° | 0.0° |
| OAA | CAS | CAZ | CAM | 100.7° | 179.9° |
| OAA | CAS | OAQ | CAZ | 176.0° | 179.9° |
| OAA | CAS | OAQ | CBE | 168.2° | 0.1° |
| OAB | CAT | CAK | CAY | 179.3° | 179.7° |
| OAB | CAT | CAK | CAN | 179.5° | 180.0° |
| OAB | CAT | CAK | HAK | 0.6° | 0.1° |
| OAB | CAT | CAN | CBC | 179.4° | 179.5° |
| OAB | CAT | CAN | HAN | 0.5° | 0.1° |
| HOAB | OAB | CAT | CAK | 180.0° | 90.0° |
| HOAB | OAB | CAT | CAN | 0.5° | 90.0° |
| OAC | CAU | CAV | OAD | 0.8° | 0.5° |
| OAC | CAU | CAI | CAJ | 178.9° | 179.8° |
| OAC | CAU | CAI | CAV | 178.9° | 180.0° |
| OAC | CAU | CAI | HAI | 1.1° | 0.0° |
| OAC | CAU | CAV | CAO | 179.0° | 180.0° |
| HOAC | OAC | CAU | CAI | 180.0° | 90.0° |
| HOAC | OAC | CAU | CAV | 1.0° | 90.0° |
| OAD | CAV | CAU | CAI | 178.1° | 179.5° |
| OAD | CAV | CAO | CBA | 178.2° | 180.0° |
| OAD | CAV | CAO | CAU | 178.0° | 179.5° |
| OAD | CAV | CAO | HAO | 1.7° | 0.5° |
| HOAD | OAD | CAV | CAO | 180.0° | 90.0° |
| HOAD | OAD | CAV | CAU | 1.9° | 90.5° |
| OAE | CAW | CBB | OAH | 2.9° | 0.0° |
| OAE | CAW | CAL | CBB | 178.8° | 180.0° |
| OAE | CAW | CAL | CAZ | 179.1° | 180.0° |
| OAE | CAW | CAL | HAL | 0.9° | 0.3° |
| OAE | CAW | CBB | CAX | 178.7° | 180.0° |
| HOAE | OAE | CAW | CAL | 180.0° | 90.0° |
| HOAE | OAE | CAW | CBB | 1.1° | 90.0° |
| OAF | CAX | CBB | OAH | 2.3° | 0.1° |
| OAF | CAX | CAM | CAZ | 179.8° | 180.0° |
| OAF | CAX | CAM | CBB | 179.4° | 179.9° |
| OAF | CAX | CAM | HAM | 0.1° | 0.1° |
| OAF | CAX | CBB | CAW | 179.3° | 179.9° |
| HOAF | OAF | CAX | CAM | 180.0° | 90.0° |
| HOAF | OAF | CAX | CBB | 0.6° | 90.0° |
| OAG | CAY | CAK | CBD | 180.0° | 179.9° |
| OAG | CAY | CAK | CAT | 179.9° | 180.0° |
| OAG | CAY | CAK | HAK | 0.0° | 0.2° |
| OAG | CAY | CBD | CAP | 0.6° | 0.2° |
| OAG | CAY | CBD | CBC | 179.9° | 179.8° |
| HOAG | OAG | CAY | CAK | 180.0° | 90.0° |
| HOAG | OAG | CAY | CBD | 0.0° | 90.1° |
| OAH | CBB | CAW | CAL | 178.3° | 180.0° |
| OAH | CBB | CAX | CAM | 178.3° | 180.0° |
| OAH | CBB | CAW | CAX | 178.5° | 180.0° |
| HOAH | OAH | CBB | CAW | 180.0° | 90.0° |
| HOAH | OAH | CBB | CAX | 1.5° | 89.9° |
| CAJ | CAI | CAU | HAI | 180.0° | 179.8° |
| CAI | CAJ | CBA | HAJ | 180.0° | 180.0° |
| CAI | CAJ | CBA | CAO | 0.4° | 0.5° |
| CAJ | CAI | CAU | CAV | 0.1° | 0.2° |
| CAI | CAJ | CBA | CBF | 176.7° | 179.9° |
| CAU | CAI | CAJ | CBA | 0.3° | 0.0° |
| CAU | CAI | CAJ | HAJ | 179.7° | 180.0° |
| CAI | CAU | CAV | CAO | 0.0° | 0.0° |
| HAI | CAI | CAJ | CBA | 179.7° | 179.8° |
| HAI | CAI | CAJ | HAJ | 0.3° | 0.2° |
| HAI | CAI | CAU | CAV | 180.0° | 180.0° |
| CAJ | CBA | CAO | CBF | 176.3° | 179.5° |
| CAJ | CBA | CAO | CAV | 0.4° | 0.7° |
| CAJ | CBA | CAO | HAO | 179.6° | 179.8° |
| CAJ | CBA | CBF | OAR | 159.4° | 33.7° |
| CAJ | CBA | CBF | CBE | 29.1° | 85.0° |
| CAJ | CBA | CBF | HBF | 84.1° | 154.4° |
| HAJ | CAJ | CBA | CAO | 179.5° | 179.5° |
| HAJ | CAJ | CBA | CBF | 3.3° | 0.0° |
| CAY | CAK | CAT | HAK | 180.0° | 179.8° |
| CAY | CAK | CAT | CAN | 0.1° | 0.3° |
| CAK | CAY | CBD | CAP | 179.4° | 179.8° |
| CAK | CAY | CBD | CBC | 0.2° | 0.2° |
| CAK | CAT | CAN | CBC | 0.1° | 0.5° |
| CAK | CAT | CAN | HAN | 180.0° | 180.0° |
| CAT | CAK | CAY | CBD | 0.0° | 0.1° |
| HAK | CAK | CAT | CAN | 179.9° | 179.9° |
| HAK | CAK | CAY | CBD | 180.0° | 179.7° |
| CAW | CAL | CAZ | HAL | 180.0° | 179.7° |
| CAW | CAL | CAZ | CAM | 0.9° | 0.0° |
| CAW | CAL | CAZ | CAS | 177.7° | 180.0° |
| CAL | CAW | CBB | CAX | 0.2° | 0.1° |
| CAL | CAZ | CAM | CAS | 176.9° | 180.0° |
| CAL | CAZ | CAM | CAX | 1.0° | 0.1° |
| CAL | CAZ | CAM | HAM | 179.0° | 179.9° |
| CAL | CAZ | CAS | OAQ | 93.7° | 180.0° |
| CAZ | CAL | CAW | CBB | 0.3° | 0.1° |
| HAL | CAL | CAZ | CAM | 179.1° | 179.7° |
| HAL | CAL | CAZ | CAS | 2.3° | 0.3° |
| HAL | CAL | CAW | CBB | 179.7° | 179.7° |
| CAZ | CAM | CAX | HAM | 180.0° | 179.9° |
| CAM | CAZ | CAS | OAQ | 83.2° | 0.0° |
| CAZ | CAM | CAX | CBB | 0.5° | 0.0° |
| CAX | CAM | CAZ | CAS | 177.8° | 180.0° |
| CAM | CAX | CBB | CAW | 0.1° | 0.0° |
| HAM | CAM | CAZ | CAS | 2.2° | 0.1° |
| HAM | CAM | CAX | CBB | 179.5° | 179.9° |
| CBC | CAN | CAT | HAN | 180.0° | 179.6° |
| CAN | CBC | CBD | CAP | 179.3° | 179.9° |
| CAN | CBC | OAR | CBF | 146.7° | 162.9° |
| CAN | CBC | OAR | CBD | 179.3° | 179.5° |
| CAN | CBC | CBD | CAY | 0.2° | 0.1° |
| CAT | CAN | CBC | OAR | 179.5° | 179.8° |
| CAT | CAN | CBC | CBD | 0.1° | 0.3° |
| HAN | CAN | CBC | OAR | 0.5° | 0.7° |
| HAN | CAN | CBC | CBD | 179.8° | 179.9° |
| CBA | CAO | CAV | HAO | 180.0° | 179.5° |
| CAO | CBA | CBF | OAR | 24.4° | 145.8° |
| CBA | CAO | CAV | CAU | 0.2° | 0.5° |
| CAO | CBA | CBF | CBE | 154.7° | 95.5° |
| CAO | CBA | CBF | HBF | 92.1° | 25.1° |
| CAV | CAO | CBA | CBF | 176.7° | 179.7° |
| HAO | CAO | CAV | CAU | 179.8° | 179.9° |
| HAO | CAO | CBA | CBF | 3.3° | 0.3° |
| CBE | CAP | CBD | HAP | 120.0° | 120.1° |
| CBE | CAP | CBD | HAPA | 120.0° | 120.0° |
| CBE | CAP | HAP | HAPA | 117.1° | 119.9° |
| CAP | CBE | OAQ | CAS | 63.2° | 89.9° |
| CAP | CBE | OAQ | CBF | 129.5° | 118.9° |
| CAP | CBE | OAQ | HBE | 114.2° | 120.5° |
| CAP | CBE | CBF | OAR | 38.2° | 64.9° |
| CBE | CAP | CBD | CAY | 166.9° | 162.4° |
| CAP | CBE | CBF | CBA | 88.6° | 175.6° |
| CBE | CAP | CBD | CBC | 13.5° | 17.7° |
| CAP | CBE | CBF | HBE | 114.1° | 119.7° |
| CAP | CBE | CBF | HBF | 153.5° | 55.0° |
| CBD | CAP | HAP | HAPA | 117.1° | 119.9° |
| CBD | CAP | CBE | OAQ | 122.9° | 167.9° |
| CAP | CBD | CBC | OAR | 0.0° | 0.6° |
| CAP | CBD | CAY | CBC | 179.6° | 180.0° |
| CBD | CAP | CBE | CBF | 4.8° | 48.1° |
| CBD | CAP | CBE | HBE | 120.6° | 71.6° |
| HAP | CAP | CBE | OAQ | 117.1° | 47.8° |
| HAP | CAP | CBD | CAY | 47.0° | 77.6° |
| HAP | CAP | CBD | CBC | 133.5° | 102.4° |
| HAP | CAP | CBE | CBF | 115.1° | 71.9° |
| HAP | CAP | CBE | HBE | 0.6° | 168.3° |
| HAPA | CAP | CBE | OAQ | 2.9° | 72.1° |
| HAPA | CAP | CBD | CAY | 73.1° | 42.3° |
| HAPA | CAP | CBD | CBC | 106.5° | 137.7° |
| HAPA | CAP | CBE | CBF | 124.8° | 168.2° |
| HAPA | CAP | CBE | HBE | 119.4° | 48.5° |
| CAS | OAQ | CBE | CBF | 167.4° | 151.1° |
| CAS | OAQ | CBE | HBE | 51.0° | 30.6° |
| OAQ | CBE | CBF | OAR | 90.9° | 175.4° |
| CBE | OAQ | CAS | CAZ | 15.8° | 180.0° |
| OAQ | CBE | CBF | CBA | 142.3° | 55.8° |
| OAQ | CBE | CBF | HBE | 116.9° | 120.5° |
| OAQ | CBE | CBF | HBF | 24.4° | 64.8° |
| OAR | CBF | CBA | CBE | 130.3° | 118.7° |
| OAR | CBF | CBA | HBF | 116.4° | 120.7° |
| CBF | OAR | CBC | CBD | 33.9° | 17.7° |
| OAR | CBF | CBE | HBF | 115.3° | 119.9° |
| OAR | CBF | CBE | HBE | 152.2° | 54.8° |
| OAR | CBC | CBD | CAY | 179.6° | 179.4° |
| CBC | OAR | CBF | CBA | 75.2° | 169.2° |
| CBC | OAR | CBF | CBE | 53.5° | 49.6° |
| CBC | OAR | CBF | HBF | 166.3° | 70.1° |
| CBA | CBF | CBE | HBF | 117.9° | 120.6° |
| CBA | CBF | CBE | HBE | 25.4° | 64.7° |
| HBE | CBE | CBF | HBF | 92.5° | 174.7° |
