AX8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CLAC | sing | 1.74Å | 1.73Å | |
| CAO | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CLAB | sing | 1.74Å | 1.74Å | |
| CAN | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | CAK | sing | 1.51Å | 1.54Å | |
| CAK | NAS | sing | 1.47Å | 1.46Å | |
| NAS | CAR | sing | 1.39Å | 1.34Å | Aromatic |
| NAS | CAP | sing | 1.36Å | 1.33Å | Aromatic |
| CAR | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| CAR | CAQ | sing | 1.40Å | 1.40Å | Aromatic |
| CAI | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAD | doub | 1.39Å | 1.40Å | Aromatic |
| CAD | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAQ | doub | 1.40Å | 1.39Å | Aromatic |
| CAQ | NAL | sing | 1.36Å | 1.34Å | Aromatic |
| NAL | CAP | doub | 1.31Å | 1.34Å | Aromatic |
| CAP | NAA | sing | 1.38Å | 1.34Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | CAJ | CAM | 119.9° | 120.0° |
| CAJ | CAO | CLAC | 118.3° | 120.0° |
| CAJ | CAO | CAN | 120.9° | 120.0° |
| CAO | CAJ | HAJ | 120.0° | 120.0° |
| CAJ | CAM | CAF | 119.3° | 120.0° |
| CAJ | CAM | CAK | 118.7° | 120.0° |
| CAM | CAJ | HAJ | 120.1° | 119.9° |
| CLAC | CAO | CAN | 120.8° | 120.0° |
| CAO | CAN | CLAB | 121.3° | 120.0° |
| CAO | CAN | CAG | 119.6° | 119.9° |
| CLAB | CAN | CAG | 119.1° | 120.1° |
| CAN | CAG | CAF | 119.7° | 120.1° |
| CAN | CAG | HAG | 120.1° | 119.9° |
| CAG | CAF | CAM | 120.7° | 120.0° |
| CAF | CAG | HAG | 120.2° | 120.0° |
| CAG | CAF | HAF | 119.7° | 120.0° |
| CAF | CAM | CAK | 122.1° | 119.9° |
| CAM | CAF | HAF | 119.7° | 120.0° |
| CAM | CAK | NAS | 110.4° | 109.4° |
| CAM | CAK | HAK | 109.2° | 109.5° |
| CAM | CAK | HAKA | 109.0° | 109.5° |
| CAK | NAS | CAR | 125.6° | 126.3° |
| CAK | NAS | CAP | 125.1° | 126.3° |
| NAS | CAK | HAK | 109.2° | 109.5° |
| NAS | CAK | HAKA | 108.9° | 109.5° |
| CAR | NAS | CAP | 109.2° | 107.3° |
| NAS | CAR | CAI | 133.5° | 133.9° |
| NAS | CAR | CAQ | 105.6° | 106.1° |
| NAS | CAP | NAL | 109.6° | 109.8° |
| NAS | CAP | NAA | 125.0° | 125.1° |
| CAI | CAR | CAQ | 120.9° | 120.0° |
| CAR | CAI | CAE | 119.3° | 119.9° |
| CAR | CAI | HAI | 120.4° | 120.1° |
| CAR | CAQ | CAH | 119.6° | 119.5° |
| CAR | CAQ | NAL | 108.6° | 107.1° |
| CAI | CAE | CAD | 119.4° | 120.4° |
| CAE | CAI | HAI | 120.3° | 120.1° |
| CAI | CAE | HAE | 120.3° | 119.8° |
| CAE | CAD | CAH | 121.1° | 120.5° |
| CAD | CAE | HAE | 120.3° | 119.8° |
| CAE | CAD | HAD | 119.4° | 119.7° |
| CAD | CAH | CAQ | 119.6° | 119.8° |
| CAH | CAD | HAD | 119.4° | 119.7° |
| CAD | CAH | HAH | 120.2° | 120.1° |
| CAH | CAQ | NAL | 131.9° | 133.4° |
| CAQ | CAH | HAH | 120.2° | 120.1° |
| CAQ | NAL | CAP | 107.0° | 109.7° |
| NAL | CAP | NAA | 125.4° | 125.1° |
| CAP | NAA | HNAA | 109.5° | 120.0° |
| CAP | NAA | HNAB | 109.5° | 120.0° |
| HAK | CAK | HAKA | 110.2° | 109.5° |
| HNAA | NAA | HNAB | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | CAJ | CAM | HAJ | 180.0° | 179.8° |
| CAJ | CAO | CLAC | CAN | 179.9° | 180.0° |
| CAJ | CAO | CAN | CLAB | 179.6° | 180.0° |
| CAJ | CAO | CAN | CAG | 0.6° | 0.0° |
| CAO | CAJ | CAM | CAF | 0.6° | 0.0° |
| CAO | CAJ | CAM | CAK | 179.8° | 180.0° |
| CAM | CAJ | CAO | CLAC | 179.3° | 180.0° |
| CAM | CAJ | CAO | CAN | 0.6° | 0.0° |
| CAJ | CAM | CAF | CAG | 0.6° | 0.0° |
| CAJ | CAM | CAF | CAK | 179.1° | 180.0° |
| CAJ | CAM | CAK | NAS | 175.3° | 90.0° |
| CAJ | CAM | CAF | HAF | 179.3° | 180.0° |
| CAJ | CAM | CAK | HAK | 64.7° | 150.0° |
| CAJ | CAM | CAK | HAKA | 55.7° | 29.9° |
| CLAC | CAO | CAN | CLAB | 0.3° | 0.0° |
| CLAC | CAO | CAN | CAG | 179.3° | 180.0° |
| CLAC | CAO | CAJ | HAJ | 0.7° | 0.2° |
| CAO | CAN | CLAB | CAG | 179.0° | 180.0° |
| CAO | CAN | CAG | CAF | 0.7° | 0.0° |
| CAN | CAO | CAJ | HAJ | 179.4° | 179.7° |
| CAO | CAN | CAG | HAG | 179.3° | 179.9° |
| CLAB | CAN | CAG | CAF | 179.7° | 180.0° |
| CLAB | CAN | CAG | HAG | 0.3° | 0.0° |
| CAN | CAG | CAF | HAG | 180.0° | 180.0° |
| CAN | CAG | CAF | CAM | 0.7° | 0.0° |
| CAN | CAG | CAF | HAF | 179.3° | 180.0° |
| CAG | CAF | CAM | HAF | 180.0° | 180.0° |
| CAG | CAF | CAM | CAK | 179.8° | 180.0° |
| CAF | CAM | CAK | NAS | 5.6° | 90.0° |
| CAF | CAM | CAJ | HAJ | 179.4° | 179.7° |
| CAM | CAF | CAG | HAG | 179.3° | 180.0° |
| CAF | CAM | CAK | HAK | 114.5° | 30.0° |
| CAF | CAM | CAK | HAKA | 125.2° | 150.0° |
| CAM | CAK | NAS | HAK | 120.0° | 120.0° |
| CAM | CAK | NAS | HAKA | 119.6° | 120.0° |
| CAM | CAK | NAS | CAR | 87.4° | 90.0° |
| CAM | CAK | NAS | CAP | 90.5° | 90.3° |
| CAK | CAM | CAJ | HAJ | 0.2° | 0.2° |
| CAK | CAM | CAF | HAF | 0.2° | 0.0° |
| CAM | CAK | HAK | HAKA | 119.6° | 120.0° |
| CAK | NAS | CAR | CAP | 178.2° | 179.7° |
| CAK | NAS | CAR | CAI | 1.9° | 0.0° |
| CAK | NAS | CAR | CAQ | 179.0° | 180.0° |
| CAK | NAS | CAP | NAL | 178.9° | 179.9° |
| CAK | NAS | CAP | NAA | 2.0° | 0.0° |
| NAS | CAK | HAK | HAKA | 119.6° | 120.0° |
| NAS | CAR | CAI | CAQ | 179.0° | 180.0° |
| NAS | CAR | CAI | CAE | 179.4° | 180.0° |
| NAS | CAR | CAQ | CAH | 179.8° | 179.9° |
| NAS | CAR | CAQ | NAL | 0.7° | 0.0° |
| CAR | NAS | CAP | NAL | 0.7° | 0.4° |
| CAR | NAS | CAP | NAA | 179.8° | 179.7° |
| CAR | NAS | CAK | HAK | 32.6° | 30.0° |
| CAR | NAS | CAK | HAKA | 153.0° | 150.0° |
| NAS | CAR | CAI | HAI | 0.6° | 0.0° |
| CAP | NAS | CAR | CAI | 179.9° | 179.7° |
| CAP | NAS | CAR | CAQ | 0.8° | 0.3° |
| NAS | CAP | NAL | CAQ | 0.3° | 0.4° |
| NAS | CAP | NAL | NAA | 179.1° | 179.8° |
| CAP | NAS | CAK | HAK | 149.5° | 149.7° |
| CAP | NAS | CAK | HAKA | 29.1° | 29.6° |
| NAS | CAP | NAA | HNAA | 82.5° | 0.0° |
| NAS | CAP | NAA | HNAB | 37.5° | 180.0° |
| CAR | CAI | CAE | HAI | 180.0° | 179.9° |
| CAR | CAI | CAE | CAD | 0.3° | 0.1° |
| CAI | CAR | CAQ | CAH | 1.0° | 0.1° |
| CAI | CAR | CAQ | NAL | 179.9° | 180.0° |
| CAR | CAI | CAE | HAE | 179.7° | 179.9° |
| CAQ | CAR | CAI | CAE | 0.4° | 0.1° |
| CAR | CAQ | CAH | CAD | 0.7° | 0.1° |
| CAR | CAQ | CAH | NAL | 178.9° | 179.9° |
| CAR | CAQ | NAL | CAP | 0.3° | 0.3° |
| CAQ | CAR | CAI | HAI | 179.5° | 180.0° |
| CAR | CAQ | CAH | HAH | 179.3° | 180.0° |
| CAI | CAE | CAD | HAE | 180.0° | 180.0° |
| CAI | CAE | CAD | CAH | 0.5° | 0.1° |
| CAI | CAE | CAD | HAD | 179.6° | 180.0° |
| CAE | CAD | CAH | HAD | 180.0° | 179.9° |
| CAE | CAD | CAH | CAQ | 0.0° | 0.1° |
| CAD | CAE | CAI | HAI | 179.8° | 180.0° |
| CAE | CAD | CAH | HAH | 180.0° | 179.9° |
| CAD | CAH | CAQ | HAH | 180.0° | 179.9° |
| CAD | CAH | CAQ | NAL | 179.7° | 180.0° |
| CAH | CAD | CAE | HAE | 179.5° | 179.9° |
| CAH | CAQ | NAL | CAP | 179.3° | 179.8° |
| CAQ | CAH | CAD | HAD | 179.9° | 180.0° |
| CAQ | NAL | CAP | NAA | 179.3° | 179.7° |
| NAL | CAQ | CAH | HAH | 0.4° | 0.1° |
| NAL | CAP | NAA | HNAA | 96.4° | 179.8° |
| NAL | CAP | NAA | HNAB | 143.6° | 0.2° |
| CAP | NAA | HNAA | HNAB | 120.0° | 180.0° |
| HAG | CAG | CAF | HAF | 0.7° | 0.0° |
| HAI | CAI | CAE | HAE | 0.3° | 0.0° |
| HAE | CAE | CAD | HAD | 0.5° | 0.0° |
| HAD | CAD | CAH | HAH | 0.0° | 0.1° |
