EQO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CBE | sing | 1.53Å | 1.53Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | CBE | sing | 1.53Å | 1.52Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| OAC | CAW | doub | 1.21Å | 1.24Å | |
| OAD | CAW | sing | 1.35Å | 1.25Å | |
| CAE | CAF | trip | 1.17Å | 1.20Å | |
| CAE | CAX | sing | 1.43Å | 1.29Å | |
| CAF | CAY | sing | 1.43Å | 1.30Å | |
| CAG | CAH | doub | 1.34Å | 1.34Å | |
| CAG | CAZ | sing | 1.47Å | 1.49Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CBA | sing | 1.47Å | 1.49Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAV | sing | 1.50Å | 1.40Å | |
| CAI | CAX | doub | 1.34Å | 1.38Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | CAY | doub | 1.40Å | 1.40Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | CAY | sing | 1.40Å | 1.40Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | CAR | doub | 1.37Å | 1.41Å | Aromatic |
| CAO | CAZ | sing | 1.40Å | 1.40Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | CAS | sing | 1.37Å | 1.39Å | Aromatic |
| CAP | CAZ | doub | 1.40Å | 1.39Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAQ | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CBA | sing | 1.40Å | 1.39Å | Aromatic |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAR | CBB | sing | 1.40Å | 1.41Å | Aromatic |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAS | CBB | doub | 1.40Å | 1.39Å | Aromatic |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAT | CBD | sing | 1.38Å | 1.40Å | Aromatic |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAU | CBA | doub | 1.40Å | 1.40Å | Aromatic |
| CAU | CBC | sing | 1.39Å | 1.41Å | Aromatic |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAV | CBE | sing | 1.53Å | 1.46Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| CAV | HAVA | sing | 1.09Å | 1.10Å | |
| CAW | CBB | sing | 1.47Å | 1.51Å | |
| CAX | CBC | sing | 1.49Å | 1.49Å | |
| CBC | CBD | doub | 1.40Å | 1.41Å | Aromatic |
| CBD | CBE | sing | 1.51Å | 1.48Å | |
| OAD | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBE | CAA | HAA | 109.5° | 109.5° |
| CBE | CAA | HAAA | 109.5° | 109.5° |
| CBE | CAA | HAAB | 109.5° | 109.4° |
| CAA | CBE | CAB | 108.8° | 109.4° |
| CAA | CBE | CAV | 100.0° | 109.4° |
| CAA | CBE | CBD | 108.6° | 109.4° |
| HAA | CAA | HAAA | 109.5° | 109.4° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| CBE | CAB | HAB | 109.5° | 109.5° |
| CBE | CAB | HABA | 109.5° | 109.5° |
| CBE | CAB | HABB | 109.5° | 109.5° |
| CAB | CBE | CAV | 112.0° | 109.4° |
| CAB | CBE | CBD | 112.4° | 109.3° |
| HAB | CAB | HABA | 109.5° | 109.4° |
| HAB | CAB | HABB | 109.4° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| OAC | CAW | OAD | 119.8° | 120.0° |
| OAC | CAW | CBB | 119.6° | 120.0° |
| OAD | CAW | CBB | 120.4° | 120.0° |
| CAW | OAD | H24 | 109.5° | 117.0° |
| CAF | CAE | CAX | 168.3° | 180.0° |
| CAE | CAF | CAY | 176.4° | 180.0° |
| CAE | CAX | CAI | 117.7° | 120.4° |
| CAE | CAX | CBC | 123.4° | 120.4° |
| CAF | CAY | CAM | 120.2° | 120.2° |
| CAF | CAY | CAN | 120.3° | 120.1° |
| CAH | CAG | CAZ | 123.1° | 120.0° |
| CAH | CAG | HAG | 118.4° | 120.0° |
| CAG | CAH | CBA | 120.8° | 120.0° |
| CAG | CAH | HAH | 119.6° | 120.0° |
| CAZ | CAG | HAG | 118.5° | 120.0° |
| CAG | CAZ | CAO | 125.4° | 120.0° |
| CAG | CAZ | CAP | 115.2° | 120.0° |
| CBA | CAH | HAH | 119.6° | 120.0° |
| CAH | CBA | CAQ | 116.2° | 120.1° |
| CAH | CBA | CAU | 124.1° | 120.2° |
| CAV | CAI | CAX | 121.6° | 120.7° |
| CAV | CAI | HAI | 119.2° | 119.6° |
| CAI | CAV | CBE | 123.6° | 110.7° |
| CAI | CAV | HAV | 105.0° | 109.2° |
| CAI | CAV | HAVA | 105.0° | 109.2° |
| CAX | CAI | HAI | 119.2° | 119.6° |
| CAI | CAX | CBC | 118.9° | 119.2° |
| CAK | CAJ | CAL | 119.4° | 120.3° |
| CAK | CAJ | HAJ | 120.3° | 119.8° |
| CAJ | CAK | CAM | 120.5° | 120.2° |
| CAJ | CAK | HAK | 119.7° | 119.9° |
| CAL | CAJ | HAJ | 120.3° | 119.9° |
| CAJ | CAL | CAN | 120.4° | 120.2° |
| CAJ | CAL | HAL | 119.8° | 120.0° |
| CAM | CAK | HAK | 119.7° | 119.9° |
| CAK | CAM | CAY | 120.0° | 119.8° |
| CAK | CAM | HAM | 120.0° | 120.1° |
| CAN | CAL | HAL | 119.8° | 119.9° |
| CAL | CAN | CAY | 120.2° | 119.8° |
| CAL | CAN | HAN | 119.9° | 120.1° |
| CAY | CAM | HAM | 120.0° | 120.1° |
| CAM | CAY | CAN | 119.6° | 119.7° |
| CAY | CAN | HAN | 119.9° | 120.1° |
| CAR | CAO | CAZ | 119.3° | 120.0° |
| CAR | CAO | HAO | 120.3° | 120.0° |
| CAO | CAR | CBB | 120.6° | 120.0° |
| CAO | CAR | HAR | 119.7° | 120.0° |
| CAZ | CAO | HAO | 120.4° | 120.0° |
| CAO | CAZ | CAP | 119.2° | 120.0° |
| CAS | CAP | CAZ | 121.7° | 120.0° |
| CAS | CAP | HAP | 119.1° | 119.9° |
| CAP | CAS | CBB | 120.0° | 120.0° |
| CAP | CAS | HAS | 120.0° | 120.1° |
| CAZ | CAP | HAP | 119.2° | 120.0° |
| CAT | CAQ | CBA | 120.9° | 120.2° |
| CAT | CAQ | HAQ | 119.6° | 119.9° |
| CAQ | CAT | CBD | 120.9° | 120.2° |
| CAQ | CAT | HAT | 119.6° | 119.9° |
| CBA | CAQ | HAQ | 119.5° | 119.9° |
| CAQ | CBA | CAU | 119.5° | 119.7° |
| CBB | CAR | HAR | 119.7° | 120.0° |
| CAR | CBB | CAS | 119.1° | 120.0° |
| CAR | CBB | CAW | 123.4° | 120.0° |
| CBB | CAS | HAS | 120.0° | 120.0° |
| CAS | CBB | CAW | 117.4° | 120.0° |
| CBD | CAT | HAT | 119.6° | 119.9° |
| CAT | CBD | CBC | 118.4° | 120.0° |
| CAT | CBD | CBE | 118.9° | 120.5° |
| CBA | CAU | CBC | 119.7° | 119.5° |
| CBA | CAU | HAU | 120.2° | 120.2° |
| CBC | CAU | HAU | 120.1° | 120.2° |
| CAU | CBC | CAX | 120.4° | 120.7° |
| CAU | CBC | CBD | 120.6° | 120.2° |
| CBE | CAV | HAV | 105.0° | 109.2° |
| CBE | CAV | HAVA | 105.0° | 109.2° |
| CAV | CBE | CBD | 114.1° | 110.0° |
| HAV | CAV | HAVA | 113.5° | 109.2° |
| CAX | CBC | CBD | 118.9° | 119.0° |
| CBC | CBD | CBE | 122.7° | 119.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBE | CAA | HAA | HAAA | 120.0° | 120.0° |
| CBE | CAA | HAA | HAAB | 120.0° | 119.9° |
| CBE | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CBE | CAB | CAV | 109.6° | 119.8° |
| CAA | CBE | CAB | CBD | 120.4° | 119.7° |
| CAA | CBE | CAB | HAB | 180.0° | 60.0° |
| CAA | CBE | CAB | HABA | 60.0° | 180.0° |
| CAA | CBE | CAB | HABB | 60.0° | 60.0° |
| CAA | CBE | CAV | CAI | 110.9° | 69.2° |
| CAA | CBE | CBD | CAT | 71.7° | 94.8° |
| CAA | CBE | CAV | CBD | 115.7° | 120.2° |
| CAA | CBE | CAV | HAV | 129.1° | 170.5° |
| CAA | CBE | CAV | HAVA | 9.1° | 51.1° |
| CAA | CBE | CBD | CBC | 106.0° | 85.1° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CBE | CAB | 180.0° | 60.0° |
| HAA | CAA | CBE | CAV | 62.5° | 59.8° |
| HAA | CAA | CBE | CBD | 57.3° | 179.7° |
| HAAA | CAA | CBE | CAB | 60.0° | 180.0° |
| HAAA | CAA | CBE | CAV | 177.5° | 60.2° |
| HAAA | CAA | CBE | CBD | 62.7° | 60.4° |
| HAAB | CAA | CBE | CAB | 60.0° | 60.0° |
| HAAB | CAA | CBE | CAV | 57.6° | 179.8° |
| HAAB | CAA | CBE | CBD | 177.4° | 59.7° |
| CBE | CAB | HAB | HABA | 120.0° | 120.0° |
| CBE | CAB | HAB | HABB | 120.0° | 120.0° |
| CBE | CAB | HABA | HABB | 120.0° | 120.1° |
| CAB | CBE | CAV | CAI | 133.9° | 171.0° |
| CAB | CBE | CBD | CAT | 48.8° | 24.9° |
| CAB | CBE | CAV | CBD | 129.1° | 120.1° |
| CAB | CBE | CAV | HAV | 13.9° | 50.7° |
| CAB | CBE | CAV | HAVA | 106.1° | 68.6° |
| CAB | CBE | CBD | CBC | 133.5° | 155.2° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAB | CAB | CBE | CAV | 70.4° | 179.8° |
| HAB | CAB | CBE | CBD | 59.6° | 59.7° |
| HABA | CAB | CBE | CAV | 49.6° | 60.3° |
| HABA | CAB | CBE | CBD | 179.6° | 60.2° |
| HABB | CAB | CBE | CAV | 169.6° | 59.8° |
| HABB | CAB | CBE | CBD | 60.4° | 179.7° |
| OAC | CAW | OAD | CBB | 175.1° | 180.0° |
| OAC | CAW | CBB | CAR | 2.4° | 0.0° |
| OAC | CAW | CBB | CAS | 175.8° | 180.0° |
| OAC | CAW | OAD | H24 | 0.0° | 0.1° |
| OAD | CAW | CBB | CAR | 177.5° | 180.0° |
| OAD | CAW | CBB | CAS | 0.8° | 0.0° |
| CAF | CAE | CAX | CAI | 109.8° | 54.0° |
| CAE | CAF | CAY | CAM | 8.0° | 61.1° |
| CAE | CAF | CAY | CAN | 172.5° | 118.9° |
| CAF | CAE | CAX | CBC | 68.8° | 126.0° |
| CAX | CAE | CAF | CAY | 174.0° | 7.0° |
| CAE | CAX | CAI | CAV | 178.6° | 179.6° |
| CAE | CAX | CAI | CBC | 178.7° | 180.0° |
| CAE | CAX | CAI | HAI | 1.4° | 0.7° |
| CAE | CAX | CBC | CAU | 2.1° | 19.0° |
| CAE | CAX | CBC | CBD | 178.4° | 161.0° |
| CAF | CAY | CAM | CAK | 179.8° | 180.0° |
| CAF | CAY | CAN | CAL | 179.5° | 180.0° |
| CAF | CAY | CAM | CAN | 179.5° | 180.0° |
| CAF | CAY | CAM | HAM | 0.2° | 0.1° |
| CAF | CAY | CAN | HAN | 0.4° | 0.0° |
| CAH | CAG | CAZ | HAG | 180.0° | 179.9° |
| CAG | CAH | CBA | HAH | 180.0° | 179.9° |
| CAH | CAG | CAZ | CAO | 12.5° | 180.0° |
| CAH | CAG | CAZ | CAP | 161.5° | 0.1° |
| CAG | CAH | CBA | CAQ | 157.0° | 0.1° |
| CAG | CAH | CBA | CAU | 17.4° | 179.9° |
| CAZ | CAG | CAH | CBA | 173.8° | 180.0° |
| CAZ | CAG | CAH | HAH | 6.2° | 0.1° |
| CAG | CAZ | CAO | CAR | 176.2° | 179.9° |
| CAG | CAZ | CAO | CAP | 173.8° | 180.0° |
| CAG | CAZ | CAO | HAO | 3.8° | 0.3° |
| CAG | CAZ | CAP | CAS | 177.3° | 180.0° |
| CAG | CAZ | CAP | HAP | 2.7° | 0.1° |
| HAG | CAG | CAH | CBA | 6.2° | 0.1° |
| HAG | CAG | CAH | HAH | 173.8° | NaN° |
| HAG | CAG | CAZ | CAO | 167.5° | 0.0° |
| HAG | CAG | CAZ | CAP | 18.5° | 180.0° |
| CAH | CBA | CAQ | CAT | 177.0° | 179.9° |
| CAH | CBA | CAQ | CAU | 174.6° | 180.0° |
| CAH | CBA | CAQ | HAQ | 3.0° | 0.0° |
| CAH | CBA | CAU | CBC | 176.5° | 180.0° |
| CAH | CBA | CAU | HAU | 3.5° | 0.1° |
| HAH | CAH | CBA | CAQ | 23.0° | 180.0° |
| HAH | CAH | CBA | CAU | 162.6° | 0.0° |
| CAV | CAI | CAX | HAI | 180.0° | 179.7° |
| CAI | CAV | CBE | HAV | 120.0° | 120.3° |
| CAI | CAV | CBE | HAVA | 120.0° | 120.3° |
| CAI | CAV | HAV | HAVA | 114.1° | 119.4° |
| CAV | CAI | CAX | CBC | 0.1° | 0.4° |
| CAI | CAV | CBE | CBD | 4.8° | 51.0° |
| CAI | CAX | CBC | CAU | 179.3° | 160.9° |
| CAX | CAI | CAV | CBE | 2.7° | 35.9° |
| CAX | CAI | CAV | HAV | 117.3° | 84.4° |
| CAX | CAI | CAV | HAVA | 122.7° | 156.2° |
| CAI | CAX | CBC | CBD | 0.2° | 19.0° |
| HAI | CAI | CAV | CBE | 177.3° | 143.8° |
| HAI | CAI | CAV | HAV | 62.7° | 95.8° |
| HAI | CAI | CAV | HAVA | 57.3° | 23.5° |
| HAI | CAI | CAX | CBC | 179.9° | 179.4° |
| CAK | CAJ | CAL | HAJ | 180.0° | 179.7° |
| CAJ | CAK | CAM | HAK | 180.0° | 180.0° |
| CAK | CAJ | CAL | CAN | 0.6° | 0.0° |
| CAK | CAJ | CAL | HAL | 179.4° | 180.0° |
| CAJ | CAK | CAM | CAY | 0.2° | 0.0° |
| CAJ | CAK | CAM | HAM | 179.8° | 179.9° |
| CAL | CAJ | CAK | CAM | 0.9° | 0.0° |
| CAL | CAJ | CAK | HAK | 179.1° | 180.0° |
| CAJ | CAL | CAN | HAL | 180.0° | 180.0° |
| CAJ | CAL | CAN | CAY | 0.3° | 0.0° |
| CAJ | CAL | CAN | HAN | 179.8° | 180.0° |
| HAJ | CAJ | CAK | CAM | 179.1° | 179.7° |
| HAJ | CAJ | CAK | HAK | 0.9° | 0.3° |
| HAJ | CAJ | CAL | CAN | 179.4° | 179.7° |
| HAJ | CAJ | CAL | HAL | 0.6° | 0.3° |
| CAK | CAM | CAY | HAM | 180.0° | 179.9° |
| CAK | CAM | CAY | CAN | 0.7° | 0.0° |
| HAK | CAK | CAM | CAY | 179.7° | 180.0° |
| HAK | CAK | CAM | HAM | 0.3° | 0.1° |
| CAL | CAN | CAY | CAM | 0.9° | 0.0° |
| CAL | CAN | CAY | HAN | 180.0° | 180.0° |
| HAL | CAL | CAN | CAY | 179.8° | 180.0° |
| HAL | CAL | CAN | HAN | 0.2° | 0.0° |
| CAM | CAY | CAN | HAN | 179.1° | 180.0° |
| HAM | CAM | CAY | CAN | 179.3° | 179.9° |
| CAR | CAO | CAZ | HAO | 180.0° | 179.6° |
| CAR | CAO | CAZ | CAP | 2.4° | 0.0° |
| CAO | CAR | CBB | HAR | 180.0° | 179.9° |
| CAO | CAR | CBB | CAS | 0.3° | 0.1° |
| CAO | CAR | CBB | CAW | 178.6° | 179.9° |
| CAO | CAZ | CAP | CAS | 2.9° | 0.0° |
| CAO | CAZ | CAP | HAP | 177.1° | 180.0° |
| CAZ | CAO | CAR | CBB | 0.8° | 0.1° |
| CAZ | CAO | CAR | HAR | 179.2° | 180.0° |
| HAO | CAO | CAZ | CAP | 177.6° | 179.7° |
| HAO | CAO | CAR | CBB | 179.2° | 179.7° |
| HAO | CAO | CAR | HAR | 0.8° | 0.4° |
| CAS | CAP | CAZ | HAP | 180.0° | 180.0° |
| CAP | CAS | CBB | CAR | 0.1° | 0.1° |
| CAP | CAS | CBB | HAS | 180.0° | 180.0° |
| CAP | CAS | CBB | CAW | 178.3° | 180.0° |
| CAZ | CAP | CAS | CBB | 1.7° | 0.0° |
| CAZ | CAP | CAS | HAS | 178.3° | 180.0° |
| HAP | CAP | CAS | CBB | 178.3° | 180.0° |
| HAP | CAP | CAS | HAS | 1.7° | 0.1° |
| CAT | CAQ | CBA | HAQ | 180.0° | 179.9° |
| CAQ | CAT | CBD | HAT | 180.0° | 179.9° |
| CAT | CAQ | CBA | CAU | 2.3° | 0.1° |
| CAQ | CAT | CBD | CBC | 0.5° | 0.0° |
| CAQ | CAT | CBD | CBE | 178.2° | 179.9° |
| CBA | CAQ | CAT | CBD | 1.4° | 0.1° |
| CBA | CAQ | CAT | HAT | 178.6° | 180.0° |
| CAQ | CBA | CAU | CBC | 2.3° | 0.0° |
| CAQ | CBA | CAU | HAU | 177.7° | 179.9° |
| HAQ | CAQ | CAT | CBD | 178.6° | 180.0° |
| HAQ | CAQ | CAT | HAT | 1.4° | 0.1° |
| HAQ | CAQ | CBA | CAU | 177.7° | 180.0° |
| CAR | CBB | CAS | CAW | 178.3° | 180.0° |
| CAR | CBB | CAS | HAS | 180.0° | 179.9° |
| HAR | CAR | CBB | CAS | 179.7° | 180.0° |
| HAR | CAR | CBB | CAW | 1.4° | 0.0° |
| HAS | CAS | CBB | CAW | 1.7° | 0.1° |
| CAT | CBD | CBC | CAU | 0.6° | 0.1° |
| CAT | CBD | CBE | CAV | 177.8° | 145.0° |
| CAT | CBD | CBC | CAX | 179.9° | 179.9° |
| CAT | CBD | CBC | CBE | 177.6° | 179.9° |
| HAT | CAT | CBD | CBC | 179.5° | 179.9° |
| HAT | CAT | CBD | CBE | 1.8° | 0.2° |
| CBA | CAU | CBC | HAU | 180.0° | 179.9° |
| CBA | CAU | CBC | CAX | 179.0° | 179.9° |
| CBA | CAU | CBC | CBD | 1.5° | 0.1° |
| CAU | CBC | CAX | CBD | 179.5° | 180.0° |
| CAU | CBC | CBD | CBE | 178.2° | 179.8° |
| HAU | CAU | CBC | CAX | 1.0° | 0.0° |
| HAU | CAU | CBC | CBD | 178.6° | 180.0° |
| CBE | CAV | HAV | HAVA | 114.2° | 119.4° |
| CAV | CBE | CBD | CBC | 4.6° | 35.1° |
| HAV | CAV | CBE | CBD | 115.2° | 69.4° |
| HAVA | CAV | CBE | CBD | 124.8° | 171.3° |
| CBB | CAW | OAD | H24 | 175.1° | 180.0° |
| CAX | CBC | CBD | CBE | 2.3° | 0.2° |
