22E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAU | sing | 1.51Å | 1.43Å | |
| CAB | CAV | sing | 1.51Å | 1.44Å | |
| OAC | CAR | doub | 1.21Å | 1.24Å | |
| OAD | CAW | doub | 1.21Å | 1.24Å | |
| CAE | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAL | doub | 1.35Å | 1.38Å | |
| CAH | NAO | sing | 1.38Å | 1.33Å | |
| CAI | CAT | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAT | sing | 1.40Å | 1.41Å | Aromatic |
| CAK | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CAY | sing | 1.42Å | 1.40Å | |
| CAM | CAX | sing | 1.40Å | 1.35Å | Aromatic |
| CAN | CAS | doub | 1.39Å | 1.42Å | Aromatic |
| CAN | CAZ | sing | 1.39Å | 1.35Å | Aromatic |
| NAO | CAW | sing | 1.35Å | 1.38Å | |
| NAP | CAX | sing | 1.35Å | 1.33Å | |
| NAP | CBA | doub | 1.31Å | 1.35Å | |
| OAQ | CAR | sing | 1.35Å | 1.38Å | |
| OAQ | CAS | sing | 1.36Å | 1.38Å | |
| CAR | CAT | sing | 1.48Å | 1.42Å | |
| CAU | CAY | doub | 1.36Å | 1.38Å | |
| CAU | CBA | sing | 1.42Å | 1.34Å | |
| CAV | CBB | sing | 1.49Å | 1.42Å | |
| CAV | CBC | doub | 1.34Å | 1.36Å | |
| CAW | CBB | sing | 1.50Å | 1.41Å | |
| CAX | CAZ | doub | 1.43Å | 1.35Å | Aromatic |
| CAY | CBB | sing | 1.50Å | 1.41Å | |
| CAZ | CBC | sing | 1.45Å | 1.37Å | |
| CBA | CBC | sing | 1.50Å | 1.36Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| 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 | 1.08Å | 1.08Å | |
| NAO | HNAO | sing | 0.97Å | 1.00Å | |
| CBB | HBB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAU | CAY | 118.5° | 120.9° |
| CAA | CAU | CBA | 121.0° | 121.0° |
| CAU | CAA | HAA | 109.5° | 109.5° |
| CAU | CAA | HAAA | 109.5° | 109.4° |
| CAU | CAA | HAAB | 109.5° | 109.5° |
| CAB | CAV | CBB | 120.0° | 120.3° |
| CAB | CAV | CBC | 119.6° | 120.3° |
| CAV | CAB | HAB | 109.5° | 109.4° |
| CAV | CAB | HABA | 109.4° | 109.5° |
| CAV | CAB | HABB | 109.5° | 109.4° |
| OAC | CAR | OAQ | 124.3° | 120.0° |
| OAC | CAR | CAT | 118.9° | 120.0° |
| OAD | CAW | NAO | 114.0° | 119.9° |
| OAD | CAW | CBB | 123.8° | 120.0° |
| CAF | CAE | CAG | 119.7° | 120.3° |
| CAE | CAF | CAI | 120.6° | 120.2° |
| CAF | CAE | HAE | 120.2° | 119.9° |
| CAE | CAF | HAF | 119.7° | 119.9° |
| CAE | CAG | CAJ | 119.3° | 120.2° |
| CAG | CAE | HAE | 120.2° | 119.9° |
| CAE | CAG | HAG | 120.3° | 119.9° |
| CAF | CAI | CAT | 120.8° | 119.9° |
| CAI | CAF | HAF | 119.7° | 119.9° |
| CAF | CAI | HAI | 119.6° | 120.1° |
| CAG | CAJ | CAT | 121.7° | 119.9° |
| CAJ | CAG | HAG | 120.3° | 119.9° |
| CAG | CAJ | HAJ | 119.2° | 120.1° |
| CAL | CAH | NAO | 118.0° | 121.5° |
| CAH | CAL | CAY | 122.1° | 119.2° |
| CAL | CAH | HAH | 121.0° | 119.2° |
| CAH | CAL | HAL | 118.9° | 120.3° |
| CAH | NAO | CAW | 122.3° | 121.6° |
| NAO | CAH | HAH | 121.0° | 119.3° |
| CAH | NAO | HNAO | 118.9° | 119.2° |
| CAI | CAT | CAJ | 117.9° | 119.7° |
| CAI | CAT | CAR | 122.1° | 120.1° |
| CAT | CAI | HAI | 119.6° | 120.1° |
| CAJ | CAT | CAR | 120.0° | 120.2° |
| CAT | CAJ | HAJ | 119.1° | 120.1° |
| CAM | CAK | CAS | 117.6° | 122.3° |
| CAK | CAM | CAX | 121.7° | 117.3° |
| CAM | CAK | HAK | 121.2° | 118.9° |
| CAK | CAM | HAM | 119.1° | 121.4° |
| CAK | CAS | CAN | 118.1° | 121.7° |
| CAK | CAS | OAQ | 119.8° | 119.1° |
| CAS | CAK | HAK | 121.2° | 118.9° |
| CAL | CAY | CAU | 121.1° | 119.0° |
| CAL | CAY | CBB | 120.2° | 117.7° |
| CAY | CAL | HAL | 119.0° | 120.4° |
| CAM | CAX | NAP | 130.0° | 130.0° |
| CAM | CAX | CAZ | 122.0° | 120.2° |
| CAX | CAM | HAM | 119.2° | 121.4° |
| CAS | CAN | CAZ | 122.7° | 117.1° |
| CAN | CAS | OAQ | 122.1° | 119.2° |
| CAS | CAN | HAN | 118.7° | 121.5° |
| CAN | CAZ | CAX | 117.9° | 121.6° |
| CAN | CAZ | CBC | 134.0° | 133.1° |
| CAZ | CAN | HAN | 118.6° | 121.4° |
| NAO | CAW | CBB | 122.2° | 120.1° |
| CAW | NAO | HNAO | 118.8° | 119.2° |
| CAX | NAP | CBA | 108.9° | 112.3° |
| NAP | CAX | CAZ | 108.0° | 109.8° |
| NAP | CBA | CAU | 128.7° | 131.6° |
| NAP | CBA | CBC | 108.4° | 108.0° |
| CAR | OAQ | CAS | 113.3° | 117.0° |
| OAQ | CAR | CAT | 116.8° | 119.9° |
| CAY | CAU | CBA | 120.5° | 118.1° |
| CAU | CAY | CBB | 118.6° | 123.2° |
| CAU | CBA | CBC | 122.9° | 120.3° |
| CBB | CAV | CBC | 120.4° | 119.4° |
| CAV | CBB | CAW | 126.6° | 112.5° |
| CAV | CBB | CAY | 118.3° | 115.0° |
| CAV | CBB | HBB | 90.6° | 106.3° |
| CAV | CBC | CAZ | 134.2° | 134.4° |
| CAV | CBC | CBA | 119.3° | 121.3° |
| CAW | CBB | CAY | 115.1° | 110.5° |
| CAW | CBB | HBB | 90.5° | 106.2° |
| CAX | CAZ | CBC | 108.2° | 105.4° |
| CAY | CBB | HBB | 90.5° | 105.7° |
| CAZ | CBC | CBA | 106.5° | 104.3° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAB | CAB | HABA | 109.5° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAU | CAY | CAL | 2.1° | 7.1° |
| CAA | CAU | CBA | NAP | 0.0° | 1.2° |
| CAA | CAU | CAY | CBA | 179.4° | 180.0° |
| CAA | CAU | CAY | CBB | 180.0° | 170.3° |
| CAA | CAU | CBA | CBC | 179.8° | 177.6° |
| CAU | CAA | HAA | HAAA | 120.0° | 119.9° |
| CAU | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAU | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAB | CAV | CBB | CBC | 178.3° | 180.0° |
| CAB | CAV | CBB | CAW | 2.3° | 35.6° |
| CAB | CAV | CBB | CAY | 179.7° | 163.2° |
| CAB | CAV | CBC | CAZ | 1.0° | 4.3° |
| CAB | CAV | CBC | CBA | 179.6° | 173.8° |
| CAV | CAB | HAB | HABA | 120.0° | 120.0° |
| CAV | CAB | HAB | HABB | 120.0° | 119.9° |
| CAV | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CAV | CBB | HBB | 88.8° | 80.2° |
| OAC | CAR | CAT | CAI | 164.3° | 0.0° |
| OAC | CAR | CAT | CAJ | 15.7° | 180.0° |
| OAC | CAR | OAQ | CAT | 179.4° | 180.0° |
| OAC | CAR | OAQ | CAS | 14.4° | 4.8° |
| OAD | CAW | NAO | CAH | 179.0° | 179.8° |
| OAD | CAW | NAO | CBB | 178.3° | 179.9° |
| OAD | CAW | CBB | CAV | 1.1° | 26.3° |
| OAD | CAW | CBB | CAY | 179.3° | 156.3° |
| OAD | CAW | NAO | HNAO | 1.0° | 0.2° |
| OAD | CAW | CBB | HBB | 89.9° | 89.6° |
| CAF | CAE | CAG | HAE | 180.0° | 179.8° |
| CAE | CAF | CAI | HAF | 180.0° | 179.9° |
| CAF | CAE | CAG | CAJ | 0.2° | 0.0° |
| CAE | CAF | CAI | CAT | 0.3° | 0.0° |
| CAF | CAE | CAG | HAG | 179.7° | 180.0° |
| CAE | CAF | CAI | HAI | 179.7° | 180.0° |
| CAG | CAE | CAF | CAI | 0.1° | 0.0° |
| CAE | CAG | CAJ | HAG | 180.0° | 180.0° |
| CAE | CAG | CAJ | CAT | 0.4° | 0.0° |
| CAG | CAE | CAF | HAF | 179.9° | 179.9° |
| CAE | CAG | CAJ | HAJ | 179.6° | 180.0° |
| CAF | CAI | CAT | HAI | 180.0° | 180.0° |
| CAF | CAI | CAT | CAJ | 0.1° | 0.0° |
| CAF | CAI | CAT | CAR | 179.9° | 180.0° |
| CAI | CAF | CAE | HAE | 179.9° | 179.7° |
| CAG | CAJ | CAT | CAI | 0.3° | 0.0° |
| CAG | CAJ | CAT | HAJ | 180.0° | 180.0° |
| CAG | CAJ | CAT | CAR | 179.8° | 180.0° |
| CAJ | CAG | CAE | HAE | 179.8° | 179.7° |
| CAL | CAH | NAO | HAH | 180.0° | 179.6° |
| CAH | CAL | CAY | HAL | 180.0° | 179.9° |
| CAL | CAH | NAO | CAW | 1.1° | 14.9° |
| CAH | CAL | CAY | CAU | 179.1° | 159.4° |
| CAH | CAL | CAY | CBB | 1.2° | 23.1° |
| CAL | CAH | NAO | HNAO | 178.9° | 165.0° |
| NAO | CAH | CAL | CAY | 0.9° | 2.9° |
| CAH | NAO | CAW | HNAO | 180.0° | 179.9° |
| CAH | NAO | CAW | CBB | 0.7° | 0.3° |
| NAO | CAH | CAL | HAL | 179.1° | 177.0° |
| CAI | CAT | CAJ | CAR | 180.0° | 180.0° |
| CAI | CAT | CAR | OAQ | 16.3° | 180.0° |
| CAT | CAI | CAF | HAF | 179.7° | 179.9° |
| CAI | CAT | CAJ | HAJ | 179.7° | 180.0° |
| CAJ | CAT | CAR | OAQ | 163.8° | 0.0° |
| CAT | CAJ | CAG | HAG | 179.5° | 180.0° |
| CAJ | CAT | CAI | HAI | 179.9° | 180.0° |
| CAM | CAK | CAS | HAK | 180.0° | 180.0° |
| CAK | CAM | CAX | HAM | 180.0° | 180.0° |
| CAM | CAK | CAS | CAN | 1.6° | 0.4° |
| CAK | CAM | CAX | NAP | 179.8° | 179.0° |
| CAM | CAK | CAS | OAQ | 179.8° | 179.6° |
| CAK | CAM | CAX | CAZ | 1.1° | 0.8° |
| CAS | CAK | CAM | CAX | 1.7° | 0.0° |
| CAK | CAS | CAN | OAQ | 178.6° | 180.0° |
| CAK | CAS | CAN | CAZ | 1.0° | 0.0° |
| CAK | CAS | OAQ | CAR | 75.8° | 102.9° |
| CAS | CAK | CAM | HAM | 178.3° | 180.0° |
| CAK | CAS | CAN | HAN | 179.0° | 180.0° |
| CAL | CAY | CAU | CBB | 177.9° | 177.4° |
| CAL | CAY | CAU | CBA | 178.4° | 172.9° |
| CAL | CAY | CBB | CAV | 178.9° | 163.3° |
| CAL | CAY | CBB | CAW | 2.8° | 34.7° |
| CAY | CAL | CAH | HAH | 179.1° | 176.8° |
| CAL | CAY | CBB | HBB | 88.0° | 79.7° |
| CAM | CAX | CAZ | CAN | 0.4° | 1.2° |
| CAM | CAX | NAP | CAZ | 179.2° | 179.7° |
| CAM | CAX | NAP | CBA | 179.0° | 178.9° |
| CAM | CAX | CAZ | CBC | 179.4° | 178.1° |
| CAX | CAM | CAK | HAK | 178.3° | 180.0° |
| CAS | CAN | CAZ | HAN | 180.0° | 179.9° |
| CAN | CAS | OAQ | CAR | 105.6° | 77.1° |
| CAS | CAN | CAZ | CAX | 0.4° | 0.7° |
| CAS | CAN | CAZ | CBC | 179.3° | 178.2° |
| CAN | CAS | CAK | HAK | 178.4° | 179.6° |
| CAN | CAZ | CAX | NAP | 179.7° | 178.6° |
| CAZ | CAN | CAS | OAQ | 179.6° | 180.0° |
| CAN | CAZ | CBC | CAV | 1.2° | 1.3° |
| CAN | CAZ | CAX | CBC | 179.8° | 179.2° |
| CAN | CAZ | CBC | CBA | 179.4° | 177.0° |
| NAO | CAW | CBB | CAV | 179.3° | 153.8° |
| NAO | CAW | CBB | CAY | 2.6° | 23.8° |
| CAW | NAO | CAH | HAH | 178.9° | 164.8° |
| NAO | CAW | CBB | HBB | 88.2° | 90.3° |
| CAX | NAP | CBA | CAU | 179.7° | 175.4° |
| NAP | CAX | CAZ | CBC | 0.1° | 2.2° |
| CAX | NAP | CBA | CBC | 0.5° | 3.4° |
| NAP | CAX | CAM | HAM | 0.2° | 1.0° |
| NAP | CBA | CAU | CAY | 179.4° | 178.8° |
| NAP | CBA | CAU | CBC | 179.8° | 178.8° |
| NAP | CBA | CBC | CAV | 179.0° | 176.9° |
| CBA | NAP | CAX | CAZ | 0.2° | 0.9° |
| NAP | CBA | CBC | CAZ | 0.5° | 4.6° |
| CAS | OAQ | CAR | CAT | 166.2° | 175.1° |
| OAQ | CAS | CAK | HAK | 0.2° | 0.3° |
| OAQ | CAS | CAN | HAN | 0.4° | 0.1° |
| CAR | CAT | CAI | HAI | 0.1° | 0.0° |
| CAR | CAT | CAJ | HAJ | 0.2° | 0.0° |
| CAU | CAY | CBB | CAV | 1.0° | 19.2° |
| CAU | CAY | CBB | CAW | 179.3° | 147.9° |
| CAY | CAU | CBA | CBC | 0.4° | 2.4° |
| CAY | CAU | CAA | HAA | 180.0° | 90.0° |
| CAY | CAU | CAA | HAAA | 60.0° | 150.1° |
| CAY | CAU | CAA | HAAB | 60.0° | 30.0° |
| CAU | CAY | CAL | HAL | 0.9° | 20.5° |
| CAU | CAY | CBB | HBB | 89.9° | 97.7° |
| CAU | CBA | CBC | CAV | 0.8° | 4.1° |
| CBA | CAU | CAY | CBB | 0.5° | 9.7° |
| CAU | CBA | CBC | CAZ | 179.7° | 174.5° |
| CBA | CAU | CAA | HAA | 0.5° | 90.0° |
| CBA | CAU | CAA | HAAA | 119.5° | 30.0° |
| CBA | CAU | CAA | HAAB | 120.5° | 150.0° |
| CAV | CBB | CAW | CAY | 178.1° | 130.0° |
| CAV | CBB | CAW | HBB | 91.1° | 115.9° |
| CAV | CBB | CAY | HBB | 90.9° | 116.9° |
| CBB | CAV | CBC | CAZ | 179.3° | 175.7° |
| CBB | CAV | CBC | CBA | 1.3° | 6.2° |
| CBB | CAV | CAB | HAB | 180.0° | 90.0° |
| CBB | CAV | CAB | HABA | 60.0° | 150.0° |
| CBB | CAV | CAB | HABB | 60.0° | 30.0° |
| CBC | CAV | CBB | CAW | 179.4° | 144.5° |
| CAV | CBC | CAZ | CAX | 179.1° | 177.8° |
| CBC | CAV | CBB | CAY | 1.4° | 16.9° |
| CAV | CBC | CAZ | CBA | 179.5° | 178.3° |
| CBC | CAV | CAB | HAB | 1.7° | 90.0° |
| CBC | CAV | CAB | HABA | 118.3° | 29.9° |
| CBC | CAV | CAB | HABB | 121.7° | 150.0° |
| CBC | CAV | CBB | HBB | 89.5° | 99.7° |
| CAW | CBB | CAY | HBB | 90.8° | 114.4° |
| CBB | CAW | NAO | HNAO | 179.2° | 179.7° |
| CAX | CAZ | CBC | CBA | 0.4° | 3.9° |
| CAZ | CAX | CAM | HAM | 178.9° | 179.3° |
| CAX | CAZ | CAN | HAN | 179.6° | 179.2° |
| CBB | CAY | CAL | HAL | 178.8° | 157.0° |
| CBC | CAZ | CAN | HAN | 0.7° | 1.8° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAE | CAE | CAF | HAF | 0.1° | 0.3° |
| HAE | CAE | CAG | HAG | 0.3° | 0.2° |
| HAF | CAF | CAI | HAI | 0.3° | 0.0° |
| HAG | CAG | CAJ | HAJ | 0.5° | 0.0° |
| HAH | CAH | CAL | HAL | 0.9° | 3.3° |
| HAH | CAH | NAO | HNAO | 1.1° | 15.3° |
| HAK | CAK | CAM | HAM | 1.7° | 0.0° |
