C1V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAT | sing | 1.35Å | 1.40Å | |
| CAT | CAZ | sing | 1.42Å | 1.44Å | |
| CAT | CAU | doub | 1.40Å | 1.43Å | |
| CAZ | CAY | doub | 1.38Å | 1.40Å | Aromatic |
| CAZ | CAW | sing | 1.46Å | 1.50Å | Aromatic |
| CAU | CAE | sing | 1.43Å | 1.52Å | |
| CAU | CAX | sing | 1.42Å | 1.40Å | |
| CAE | NAA | trip | 1.14Å | 1.14Å | |
| CAX | OAB | doub | 1.22Å | 1.40Å | |
| CAX | NAO | sing | 1.34Å | 1.32Å | |
| NAO | CAY | sing | 1.38Å | 1.34Å | |
| CAY | SAP | sing | 1.76Å | 1.70Å | Aromatic |
| SAP | CAN | sing | 1.75Å | 1.69Å | Aromatic |
| CAN | CAW | doub | 1.33Å | 1.40Å | Aromatic |
| CAW | CAS | sing | 1.48Å | 1.55Å | |
| CAS | CAL | sing | 1.40Å | 1.39Å | Aromatic |
| CAS | CAK | doub | 1.40Å | 1.39Å | Aromatic |
| CAL | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAR | sing | 1.40Å | 1.39Å | Aromatic |
| CAK | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAR | CAV | sing | 1.48Å | 1.55Å | |
| CAV | CAM | sing | 1.39Å | 1.38Å | Aromatic |
| CAV | CAQ | doub | 1.40Å | 1.39Å | Aromatic |
| CAM | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAQ | sing | 1.39Å | 1.38Å | Aromatic |
| CAQ | OAC | sing | 1.36Å | 1.42Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å | |
| NAO | HAO | sing | 0.97Å | 1.00Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAT | CAZ | 121.6° | 120.2° |
| OAD | CAT | CAU | 121.4° | 120.3° |
| CAT | OAD | HAD | 109.5° | 114.0° |
| CAZ | CAT | CAU | 117.0° | 119.5° |
| CAT | CAZ | CAY | 119.6° | 118.9° |
| CAT | CAZ | CAW | 127.8° | 128.8° |
| CAT | CAU | CAE | 125.8° | 120.4° |
| CAT | CAU | CAX | 118.7° | 119.2° |
| CAY | CAZ | CAW | 112.5° | 112.2° |
| CAZ | CAY | NAO | 120.2° | 120.5° |
| CAZ | CAY | SAP | 107.7° | 109.9° |
| CAZ | CAW | CAN | 112.7° | 114.4° |
| CAZ | CAW | CAS | 127.5° | 122.8° |
| CAE | CAU | CAX | 115.5° | 120.4° |
| CAU | CAE | NAA | 175.9° | 180.0° |
| CAU | CAX | OAB | 118.9° | 119.9° |
| CAU | CAX | NAO | 121.7° | 120.2° |
| OAB | CAX | NAO | 119.4° | 119.9° |
| CAX | NAO | CAY | 122.8° | 121.7° |
| CAX | NAO | HAO | 118.6° | 119.1° |
| NAO | CAY | SAP | 132.1° | 129.6° |
| CAY | NAO | HAO | 118.6° | 119.2° |
| CAY | SAP | CAN | 99.1° | 92.4° |
| SAP | CAN | CAW | 107.9° | 111.1° |
| SAP | CAN | HAN | 126.1° | 124.5° |
| CAN | CAW | CAS | 119.8° | 122.8° |
| CAW | CAN | HAN | 126.0° | 124.4° |
| CAW | CAS | CAL | 118.5° | 120.0° |
| CAW | CAS | CAK | 121.5° | 120.0° |
| CAL | CAS | CAK | 119.9° | 120.0° |
| CAS | CAL | CAJ | 120.3° | 120.0° |
| CAS | CAL | HAL | 119.8° | 120.0° |
| CAS | CAK | CAI | 119.8° | 120.0° |
| CAS | CAK | HAK | 120.1° | 119.9° |
| CAL | CAJ | CAR | 119.8° | 120.0° |
| CAJ | CAL | HAL | 119.8° | 120.0° |
| CAL | CAJ | HAJ | 120.1° | 120.0° |
| CAJ | CAR | CAI | 120.0° | 120.0° |
| CAJ | CAR | CAV | 119.7° | 120.0° |
| CAR | CAJ | HAJ | 120.1° | 120.0° |
| CAK | CAI | CAR | 120.1° | 120.1° |
| CAI | CAK | HAK | 120.1° | 120.1° |
| CAK | CAI | HAI | 120.0° | 119.9° |
| CAI | CAR | CAV | 120.3° | 120.0° |
| CAR | CAI | HAI | 119.9° | 120.0° |
| CAR | CAV | CAM | 118.1° | 120.2° |
| CAR | CAV | CAQ | 121.9° | 120.1° |
| CAM | CAV | CAQ | 120.0° | 119.7° |
| CAV | CAM | CAG | 120.2° | 119.9° |
| CAV | CAM | HAM | 119.9° | 120.0° |
| CAV | CAQ | CAH | 119.8° | 119.7° |
| CAV | CAQ | OAC | 120.7° | 120.2° |
| CAM | CAG | CAF | 119.9° | 120.3° |
| CAG | CAM | HAM | 119.9° | 120.1° |
| CAM | CAG | HAG | 120.1° | 119.9° |
| CAG | CAF | CAH | 119.9° | 120.3° |
| CAF | CAG | HAG | 120.0° | 119.8° |
| CAG | CAF | HAF | 120.1° | 119.9° |
| CAF | CAH | CAQ | 120.3° | 120.1° |
| CAH | CAF | HAF | 120.0° | 119.9° |
| CAF | CAH | HAH | 119.9° | 120.0° |
| CAH | CAQ | OAC | 119.5° | 120.2° |
| CAQ | CAH | HAH | 119.9° | 119.9° |
| CAQ | OAC | HAC | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAT | CAZ | CAU | 179.9° | 179.8° |
| OAD | CAT | CAZ | CAY | 179.9° | 180.0° |
| OAD | CAT | CAZ | CAW | 0.3° | 0.0° |
| OAD | CAT | CAU | CAE | 0.1° | 0.0° |
| OAD | CAT | CAU | CAX | 179.9° | 180.0° |
| CAT | CAZ | CAY | CAW | 179.7° | 180.0° |
| CAZ | CAT | CAU | CAE | 179.8° | 179.8° |
| CAZ | CAT | CAU | CAX | 0.0° | 0.2° |
| CAT | CAZ | CAY | NAO | 0.2° | 0.0° |
| CAT | CAZ | CAY | SAP | 179.9° | 180.0° |
| CAT | CAZ | CAW | CAN | 180.0° | 179.9° |
| CAT | CAZ | CAW | CAS | 0.8° | 0.1° |
| CAZ | CAT | OAD | HAD | 180.0° | 180.0° |
| CAU | CAT | CAZ | CAY | 0.1° | 0.2° |
| CAU | CAT | CAZ | CAW | 179.7° | 179.7° |
| CAT | CAU | CAE | CAX | 179.8° | 180.0° |
| CAT | CAU | CAE | NAA | 177.1° | 149.0° |
| CAT | CAU | CAX | OAB | 180.0° | 180.0° |
| CAT | CAU | CAX | NAO | 0.1° | 0.0° |
| CAU | CAT | OAD | HAD | 0.1° | 0.2° |
| CAZ | CAY | NAO | CAX | 0.1° | 0.3° |
| CAZ | CAY | NAO | SAP | 179.9° | 180.0° |
| CAZ | CAY | SAP | CAN | 0.1° | 0.0° |
| CAY | CAZ | CAW | CAN | 0.3° | 0.0° |
| CAY | CAZ | CAW | CAS | 179.6° | 180.0° |
| CAZ | CAY | NAO | HAO | 180.0° | 180.0° |
| CAW | CAZ | CAY | NAO | 179.8° | 180.0° |
| CAW | CAZ | CAY | SAP | 0.2° | 0.0° |
| CAZ | CAW | CAN | SAP | 0.3° | 0.0° |
| CAZ | CAW | CAN | CAS | 179.3° | 180.0° |
| CAZ | CAW | CAS | CAL | 108.6° | 130.0° |
| CAZ | CAW | CAS | CAK | 73.3° | 50.3° |
| CAZ | CAW | CAN | HAN | 179.7° | 180.0° |
| CAE | CAU | CAX | OAB | 0.1° | 0.0° |
| CAE | CAU | CAX | NAO | 179.9° | 180.0° |
| CAX | CAU | CAE | NAA | 2.7° | 31.0° |
| CAU | CAX | OAB | NAO | 180.0° | 180.0° |
| CAU | CAX | NAO | CAY | 0.0° | 0.2° |
| CAU | CAX | NAO | HAO | 179.9° | 180.0° |
| OAB | CAX | NAO | CAY | 180.0° | 179.8° |
| OAB | CAX | NAO | HAO | 0.0° | 0.0° |
| CAX | NAO | CAY | HAO | 180.0° | 179.8° |
| CAX | NAO | CAY | SAP | 180.0° | 179.7° |
| NAO | CAY | SAP | CAN | 180.0° | 180.0° |
| CAY | SAP | CAN | CAW | 0.1° | 0.0° |
| SAP | CAY | NAO | HAO | 0.0° | 0.0° |
| CAY | SAP | CAN | HAN | 179.9° | 180.0° |
| SAP | CAN | CAW | HAN | 180.0° | 179.9° |
| SAP | CAN | CAW | CAS | 179.6° | 179.9° |
| CAN | CAW | CAS | CAL | 70.6° | 50.0° |
| CAN | CAW | CAS | CAK | 107.5° | 129.7° |
| CAW | CAS | CAL | CAK | 178.2° | 179.7° |
| CAW | CAS | CAL | CAJ | 179.1° | 180.0° |
| CAW | CAS | CAK | CAI | 179.3° | 180.0° |
| CAS | CAW | CAN | HAN | 0.4° | 0.0° |
| CAW | CAS | CAL | HAL | 0.9° | 0.0° |
| CAW | CAS | CAK | HAK | 0.7° | 0.0° |
| CAS | CAL | CAJ | HAL | 180.0° | 180.0° |
| CAS | CAL | CAJ | CAR | 0.1° | 0.0° |
| CAL | CAS | CAK | CAI | 1.2° | 0.3° |
| CAL | CAS | CAK | HAK | 178.8° | 179.7° |
| CAS | CAL | CAJ | HAJ | 179.9° | 180.0° |
| CAK | CAS | CAL | CAJ | 0.9° | 0.3° |
| CAS | CAK | CAI | HAK | 180.0° | 180.0° |
| CAS | CAK | CAI | CAR | 0.5° | 0.0° |
| CAK | CAS | CAL | HAL | 179.1° | 179.7° |
| CAS | CAK | CAI | HAI | 179.6° | 180.0° |
| CAL | CAJ | CAR | HAJ | 180.0° | 180.0° |
| CAL | CAJ | CAR | CAI | 0.8° | 0.3° |
| CAL | CAJ | CAR | CAV | 179.8° | 179.9° |
| CAJ | CAR | CAI | CAK | 0.6° | 0.3° |
| CAJ | CAR | CAI | CAV | 178.9° | 179.8° |
| CAJ | CAR | CAV | CAM | 122.0° | 50.0° |
| CAJ | CAR | CAV | CAQ | 57.6° | 129.8° |
| CAR | CAJ | CAL | HAL | 179.9° | 180.0° |
| CAJ | CAR | CAI | HAI | 179.4° | 179.7° |
| CAK | CAI | CAR | HAI | 180.0° | 180.0° |
| CAK | CAI | CAR | CAV | 179.5° | 179.9° |
| CAI | CAR | CAV | CAM | 57.0° | 130.3° |
| CAI | CAR | CAV | CAQ | 123.5° | 50.0° |
| CAR | CAI | CAK | HAK | 179.5° | 180.0° |
| CAI | CAR | CAJ | HAJ | 179.1° | 179.7° |
| CAR | CAV | CAM | CAQ | 179.5° | 179.7° |
| CAR | CAV | CAM | CAG | 179.9° | 179.9° |
| CAR | CAV | CAQ | CAH | 179.7° | 179.8° |
| CAR | CAV | CAQ | OAC | 0.3° | 0.0° |
| CAV | CAR | CAJ | HAJ | 0.2° | 0.0° |
| CAV | CAR | CAI | HAI | 0.5° | 0.1° |
| CAR | CAV | CAM | HAM | 0.1° | 0.0° |
| CAV | CAM | CAG | HAM | 180.0° | 180.0° |
| CAV | CAM | CAG | CAF | 0.3° | 0.1° |
| CAM | CAV | CAQ | CAH | 0.2° | 0.5° |
| CAM | CAV | CAQ | OAC | 179.8° | 179.7° |
| CAV | CAM | CAG | HAG | 179.7° | 180.0° |
| CAQ | CAV | CAM | CAG | 0.3° | 0.2° |
| CAV | CAQ | CAH | CAF | 0.0° | 0.5° |
| CAV | CAQ | CAH | OAC | 180.0° | 179.8° |
| CAQ | CAV | CAM | HAM | 179.7° | 179.8° |
| CAV | CAQ | CAH | HAH | 180.0° | 179.8° |
| CAV | CAQ | OAC | HAC | 180.0° | 90.1° |
| CAM | CAG | CAF | HAG | 180.0° | 179.9° |
| CAM | CAG | CAF | CAH | 0.0° | 0.1° |
| CAM | CAG | CAF | HAF | 180.0° | 179.9° |
| CAG | CAF | CAH | HAF | 180.0° | 180.0° |
| CAG | CAF | CAH | CAQ | 0.1° | 0.2° |
| CAF | CAG | CAM | HAM | 179.8° | 179.9° |
| CAG | CAF | CAH | HAH | 179.9° | 179.9° |
| CAF | CAH | CAQ | HAH | 180.0° | 179.7° |
| CAF | CAH | CAQ | OAC | 180.0° | 179.7° |
| CAH | CAF | CAG | HAG | 180.0° | 180.0° |
| CAQ | CAH | CAF | HAF | 179.9° | 179.8° |
| CAH | CAQ | OAC | HAC | 0.0° | 89.7° |
| OAC | CAQ | CAH | HAH | 0.0° | 0.0° |
| HAL | CAL | CAJ | HAJ | 0.1° | 0.0° |
| HAK | CAK | CAI | HAI | 0.4° | 0.0° |
| HAM | CAM | CAG | HAG | 0.2° | 0.0° |
| HAG | CAG | CAF | HAF | 0.0° | 0.0° |
| HAF | CAF | CAH | HAH | 0.1° | 0.0° |
