X8W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAH | sing | 1.38Å | 1.42Å | Aromatic |
| CAJ | CAQ | doub | 1.40Å | 1.39Å | Aromatic |
| CAH | CAO | doub | 1.39Å | 1.41Å | Aromatic |
| CAO | OAB | sing | 1.36Å | 1.40Å | |
| CAO | CAI | sing | 1.39Å | 1.38Å | Aromatic |
| CAI | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAQ | sing | 1.40Å | 1.38Å | Aromatic |
| CAQ | CAG | sing | 1.47Å | 1.38Å | |
| CAG | CAF | doub | 1.35Å | 1.52Å | |
| CAF | CAN | sing | 1.46Å | 1.58Å | |
| CAN | OAA | doub | 1.22Å | 1.23Å | |
| CAN | CAT | sing | 1.47Å | 1.42Å | |
| CAT | CAR | sing | 1.40Å | 1.41Å | Aromatic |
| CAT | CAS | doub | 1.40Å | 1.40Å | Aromatic |
| CAR | OAD | sing | 1.36Å | 1.34Å | |
| CAR | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAP | sing | 1.39Å | 1.38Å | Aromatic |
| CAP | OAC | sing | 1.36Å | 1.31Å | |
| CAP | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | CAS | sing | 1.38Å | 1.37Å | Aromatic |
| CAS | OAE | sing | 1.36Å | 1.35Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| OAB | HAB | sing | 0.97Å | 0.95Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| OAE | HAE | sing | 0.97Å | 0.95Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | CAJ | CAQ | 119.0° | 119.9° |
| CAJ | CAH | CAO | 122.8° | 120.1° |
| CAH | CAJ | HAJ | 120.5° | 120.1° |
| CAJ | CAH | HAH | 118.6° | 119.9° |
| CAJ | CAQ | CAK | 117.5° | 119.8° |
| CAJ | CAQ | CAG | 128.3° | 120.1° |
| CAQ | CAJ | HAJ | 120.5° | 120.0° |
| CAH | CAO | OAB | 126.0° | 119.9° |
| CAH | CAO | CAI | 116.3° | 120.3° |
| CAO | CAH | HAH | 118.6° | 120.0° |
| OAB | CAO | CAI | 117.7° | 119.9° |
| CAO | OAB | HAB | 109.5° | 114.0° |
| CAO | CAI | CAK | 120.8° | 120.1° |
| CAO | CAI | HAI | 119.6° | 119.9° |
| CAI | CAK | CAQ | 123.6° | 119.9° |
| CAK | CAI | HAI | 119.6° | 120.0° |
| CAI | CAK | HAK | 118.2° | 120.1° |
| CAK | CAQ | CAG | 114.1° | 120.1° |
| CAQ | CAK | HAK | 118.2° | 120.1° |
| CAQ | CAG | CAF | 122.8° | 120.0° |
| CAQ | CAG | HAG | 118.6° | 120.0° |
| CAG | CAF | CAN | 117.4° | 120.0° |
| CAF | CAG | HAG | 118.6° | 120.0° |
| CAG | CAF | HAF | 121.3° | 120.0° |
| CAF | CAN | OAA | 117.1° | 120.0° |
| CAF | CAN | CAT | 124.5° | 120.0° |
| CAN | CAF | HAF | 121.3° | 120.0° |
| OAA | CAN | CAT | 118.4° | 120.0° |
| CAN | CAT | CAR | 122.0° | 120.1° |
| CAN | CAT | CAS | 119.8° | 120.2° |
| CAR | CAT | CAS | 118.2° | 119.7° |
| CAT | CAR | OAD | 121.3° | 120.1° |
| CAT | CAR | CAL | 121.4° | 119.8° |
| CAT | CAS | CAM | 121.1° | 119.8° |
| CAT | CAS | OAE | 121.9° | 120.1° |
| OAD | CAR | CAL | 117.2° | 120.1° |
| CAR | OAD | HAD | 109.5° | 114.0° |
| CAR | CAL | CAP | 117.5° | 120.1° |
| CAR | CAL | HAL | 121.3° | 119.9° |
| CAL | CAP | OAC | 119.1° | 119.8° |
| CAL | CAP | CAM | 123.0° | 120.4° |
| CAP | CAL | HAL | 121.2° | 119.9° |
| OAC | CAP | CAM | 117.9° | 119.8° |
| CAP | OAC | HAC | 109.5° | 114.0° |
| CAP | CAM | CAS | 118.8° | 120.2° |
| CAP | CAM | HAM | 120.6° | 119.9° |
| CAM | CAS | OAE | 117.0° | 120.1° |
| CAS | CAM | HAM | 120.6° | 119.9° |
| CAS | OAE | HAE | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAJ | CAQ | HAJ | 180.0° | 179.8° |
| CAJ | CAH | CAO | HAH | 180.0° | 180.0° |
| CAJ | CAH | CAO | OAB | 176.7° | 180.0° |
| CAJ | CAH | CAO | CAI | 1.1° | 0.0° |
| CAH | CAJ | CAQ | CAK | 3.0° | 0.0° |
| CAH | CAJ | CAQ | CAG | 179.7° | 180.0° |
| CAQ | CAJ | CAH | CAO | 2.7° | 0.0° |
| CAJ | CAQ | CAK | CAI | 2.1° | 0.0° |
| CAJ | CAQ | CAK | CAG | 177.2° | 180.0° |
| CAJ | CAQ | CAG | CAF | 86.9° | 180.0° |
| CAQ | CAJ | CAH | HAH | 177.3° | 180.0° |
| CAJ | CAQ | CAK | HAK | 177.9° | 179.9° |
| CAJ | CAQ | CAG | HAG | 93.1° | 0.0° |
| CAH | CAO | OAB | CAI | 177.8° | 179.9° |
| CAH | CAO | CAI | CAK | 0.1° | 0.1° |
| CAO | CAH | CAJ | HAJ | 177.3° | 179.8° |
| CAH | CAO | OAB | HAB | 180.0° | 90.0° |
| CAH | CAO | CAI | HAI | 179.9° | 180.0° |
| OAB | CAO | CAI | CAK | 178.0° | 180.0° |
| OAB | CAO | CAH | HAH | 3.3° | 0.0° |
| OAB | CAO | CAI | HAI | 2.0° | 0.0° |
| CAO | CAI | CAK | HAI | 180.0° | 179.9° |
| CAO | CAI | CAK | CAQ | 0.6° | 0.1° |
| CAI | CAO | CAH | HAH | 178.9° | 180.0° |
| CAI | CAO | OAB | HAB | 2.2° | 90.0° |
| CAO | CAI | CAK | HAK | 179.4° | 179.9° |
| CAI | CAK | CAQ | HAK | 180.0° | 179.9° |
| CAI | CAK | CAQ | CAG | 179.3° | 180.0° |
| CAK | CAQ | CAG | CAF | 96.3° | 0.0° |
| CAK | CAQ | CAJ | HAJ | 177.0° | 179.8° |
| CAQ | CAK | CAI | HAI | 179.4° | 180.0° |
| CAK | CAQ | CAG | HAG | 83.7° | 180.0° |
| CAQ | CAG | CAF | HAG | 180.0° | 180.0° |
| CAQ | CAG | CAF | CAN | 175.0° | 180.0° |
| CAG | CAQ | CAJ | HAJ | 0.3° | 0.2° |
| CAG | CAQ | CAK | HAK | 0.8° | 0.1° |
| CAQ | CAG | CAF | HAF | 5.0° | 0.0° |
| CAG | CAF | CAN | HAF | 180.0° | 180.0° |
| CAG | CAF | CAN | OAA | 5.1° | 5.2° |
| CAG | CAF | CAN | CAT | 177.5° | 174.8° |
| CAF | CAN | OAA | CAT | 177.5° | 180.0° |
| CAF | CAN | CAT | CAR | 150.4° | 94.7° |
| CAF | CAN | CAT | CAS | 29.4° | 85.5° |
| CAN | CAF | CAG | HAG | 5.0° | 0.0° |
| OAA | CAN | CAT | CAR | 32.3° | 85.3° |
| OAA | CAN | CAT | CAS | 147.9° | 94.5° |
| OAA | CAN | CAF | HAF | 174.9° | 174.8° |
| CAN | CAT | CAR | CAS | 179.8° | 179.8° |
| CAN | CAT | CAR | OAD | 0.7° | 0.0° |
| CAN | CAT | CAR | CAL | 179.0° | 180.0° |
| CAN | CAT | CAS | CAM | 179.7° | 179.7° |
| CAN | CAT | CAS | OAE | 0.2° | 0.1° |
| CAT | CAN | CAF | HAF | 2.5° | 5.2° |
| CAT | CAR | OAD | CAL | 179.7° | 180.0° |
| CAT | CAR | CAL | CAP | 0.5° | 0.0° |
| CAR | CAT | CAS | CAM | 0.1° | 0.5° |
| CAR | CAT | CAS | OAE | 179.6° | 179.7° |
| CAT | CAR | OAD | HAD | 11.9° | 90.0° |
| CAT | CAR | CAL | HAL | 179.5° | 179.9° |
| CAS | CAT | CAR | OAD | 179.5° | 179.8° |
| CAS | CAT | CAR | CAL | 0.8° | 0.2° |
| CAT | CAS | CAM | CAP | 0.9° | 0.5° |
| CAT | CAS | CAM | OAE | 179.5° | 179.8° |
| CAT | CAS | CAM | HAM | 179.1° | 179.8° |
| CAT | CAS | OAE | HAE | 180.0° | 90.0° |
| OAD | CAR | CAL | CAP | 179.7° | 180.0° |
| OAD | CAR | CAL | HAL | 0.3° | 0.0° |
| CAR | CAL | CAP | HAL | 180.0° | 179.9° |
| CAR | CAL | CAP | OAC | 179.8° | 180.0° |
| CAR | CAL | CAP | CAM | 0.5° | 0.1° |
| CAL | CAR | OAD | HAD | 168.3° | 90.0° |
| CAL | CAP | OAC | CAM | 179.7° | 179.9° |
| CAL | CAP | CAM | CAS | 1.3° | 0.3° |
| CAL | CAP | OAC | HAC | 180.0° | 90.1° |
| CAL | CAP | CAM | HAM | 178.8° | 180.0° |
| OAC | CAP | CAM | CAS | 179.1° | 179.7° |
| OAC | CAP | CAL | HAL | 0.2° | 0.1° |
| OAC | CAP | CAM | HAM | 0.9° | 0.0° |
| CAP | CAM | CAS | HAM | 180.0° | 179.7° |
| CAP | CAM | CAS | OAE | 178.6° | 179.7° |
| CAM | CAP | CAL | HAL | 179.5° | 180.0° |
| CAM | CAP | OAC | HAC | 0.3° | 90.0° |
| CAM | CAS | OAE | HAE | 0.5° | 89.7° |
| OAE | CAS | CAM | HAM | 1.4° | 0.0° |
| HAJ | CAJ | CAH | HAH | 2.7° | 0.2° |
| HAI | CAI | CAK | HAK | 0.6° | 0.1° |
| HAG | CAG | CAF | HAF | 175.0° | 179.9° |
