AD6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAI | CAH | sing | 0.00Å | 1.35Å | Aromatic |
| NAI | CAQ | doub | 0.00Å | 1.34Å | Aromatic |
| CAH | CAN | doub | 0.00Å | 1.34Å | Aromatic |
| CAN | SAL | sing | 0.00Å | 1.62Å | Aromatic |
| CAN | BR | sing | 0.00Å | 1.89Å | |
| SAL | CAQ | sing | 0.00Å | 1.69Å | Aromatic |
| CAQ | NAK | sing | 0.00Å | 1.36Å | |
| NAK | CAO | sing | 0.00Å | 1.35Å | |
| CAO | CAE | sing | 0.00Å | 1.40Å | Aromatic |
| CAO | CAD | doub | 0.00Å | 1.40Å | Aromatic |
| CAE | CAG | doub | 0.00Å | 1.40Å | Aromatic |
| CAG | CAP | sing | 0.00Å | 1.40Å | Aromatic |
| CAD | CAF | sing | 0.00Å | 1.40Å | Aromatic |
| CAF | CAP | doub | 0.00Å | 1.40Å | Aromatic |
| CAP | CAM | sing | 0.00Å | 1.40Å | |
| CAM | OAB | doub | 0.00Å | 1.24Å | |
| CAM | NAJ | sing | 0.00Å | 1.35Å | |
| NAJ | CAA | sing | 0.00Å | 1.48Å | |
| CAH | HAH | sing | 0.00Å | 1.08Å | |
| NAK | HAK | sing | 0.00Å | 1.00Å | |
| CAE | HAE | sing | 0.00Å | 1.08Å | |
| CAD | HAD | sing | 0.00Å | 1.08Å | |
| CAG | HAG | sing | 0.00Å | 1.08Å | |
| CAF | HAF | sing | 0.00Å | 1.08Å | |
| NAJ | HAJ | sing | 0.00Å | 1.00Å | |
| CAA | HAA1 | sing | 0.00Å | 1.10Å | |
| CAA | HAA2 | sing | 0.00Å | 1.10Å | |
| CAA | HAA3 | sing | 0.00Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | NAI | CAQ | 114.7° | 90.0° |
| NAI | CAH | CAN | 113.2° | 90.0° |
| NAI | CAH | HAH | 123.4° | 90.0° |
| NAI | CAQ | SAL | 107.2° | 90.0° |
| NAI | CAQ | NAK | 121.6° | 90.0° |
| CAH | CAN | SAL | 110.3° | 90.0° |
| CAH | CAN | BR | 123.8° | 90.0° |
| CAN | CAH | HAH | 123.4° | 90.0° |
| SAL | CAN | BR | 125.9° | 90.0° |
| CAN | SAL | CAQ | 94.5° | 90.0° |
| SAL | CAQ | NAK | 131.1° | 90.0° |
| CAQ | NAK | CAO | 126.6° | 90.0° |
| CAQ | NAK | HAK | 116.7° | 90.0° |
| NAK | CAO | CAE | 124.8° | 90.0° |
| NAK | CAO | CAD | 116.4° | 90.0° |
| CAO | NAK | HAK | 116.7° | 90.0° |
| CAE | CAO | CAD | 118.7° | 90.0° |
| CAO | CAE | CAG | 120.7° | 90.0° |
| CAO | CAE | HAE | 119.7° | 90.0° |
| CAO | CAD | CAF | 120.7° | 90.0° |
| CAO | CAD | HAD | 119.6° | 90.0° |
| CAE | CAG | CAP | 120.5° | 90.0° |
| CAG | CAE | HAE | 119.7° | 90.0° |
| CAE | CAG | HAG | 119.7° | 90.0° |
| CAG | CAP | CAF | 118.8° | 90.0° |
| CAG | CAP | CAM | 120.7° | 90.0° |
| CAP | CAG | HAG | 119.8° | 90.0° |
| CAD | CAF | CAP | 120.6° | 90.0° |
| CAF | CAD | HAD | 119.7° | 90.0° |
| CAD | CAF | HAF | 119.7° | 90.0° |
| CAF | CAP | CAM | 120.5° | 90.0° |
| CAP | CAF | HAF | 119.7° | 90.0° |
| CAP | CAM | OAB | 121.2° | 90.0° |
| CAP | CAM | NAJ | 115.0° | 90.0° |
| OAB | CAM | NAJ | 123.8° | 90.0° |
| CAM | NAJ | CAA | 118.9° | 90.0° |
| CAM | NAJ | HAJ | 120.5° | 90.0° |
| CAA | NAJ | HAJ | 120.5° | 90.0° |
| NAJ | CAA | HAA1 | 109.5° | 90.0° |
| NAJ | CAA | HAA2 | 109.5° | 90.0° |
| NAJ | CAA | HAA3 | 109.5° | 90.0° |
| HAA1 | CAA | HAA2 | 109.5° | 90.0° |
| HAA1 | CAA | HAA3 | 109.5° | 90.0° |
| HAA2 | CAA | HAA3 | 109.5° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAI | CAH | CAN | HAH | 180.0° | 90.0° |
| NAI | CAH | CAN | SAL | 0.5° | 90.0° |
| NAI | CAH | CAN | BR | 179.4° | 90.0° |
| CAH | NAI | CAQ | SAL | 0.6° | 90.0° |
| CAH | NAI | CAQ | NAK | 178.8° | 90.0° |
| CAQ | NAI | CAH | CAN | 0.7° | 90.0° |
| NAI | CAQ | SAL | CAN | 0.2° | 90.0° |
| NAI | CAQ | SAL | NAK | 178.0° | 90.0° |
| NAI | CAQ | NAK | CAO | 165.5° | 90.0° |
| CAQ | NAI | CAH | HAH | 179.3° | 90.0° |
| NAI | CAQ | NAK | HAK | 14.5° | 90.0° |
| CAH | CAN | SAL | BR | 179.9° | 90.0° |
| CAH | CAN | SAL | CAQ | 0.1° | 90.0° |
| CAN | SAL | CAQ | NAK | 178.2° | 90.0° |
| SAL | CAN | CAH | HAH | 179.5° | 90.0° |
| BR | CAN | SAL | CAQ | 179.8° | 90.0° |
| BR | CAN | CAH | HAH | 0.6° | 90.0° |
| SAL | CAQ | NAK | CAO | 16.7° | 90.0° |
| SAL | CAQ | NAK | HAK | 163.3° | 90.0° |
| CAQ | NAK | CAO | HAK | 180.0° | 90.0° |
| CAQ | NAK | CAO | CAE | 23.1° | 90.0° |
| CAQ | NAK | CAO | CAD | 157.8° | 90.0° |
| NAK | CAO | CAE | CAD | 179.0° | 90.0° |
| NAK | CAO | CAE | CAG | 179.8° | 90.0° |
| NAK | CAO | CAD | CAF | 179.5° | 90.0° |
| NAK | CAO | CAE | HAE | 0.2° | 90.0° |
| NAK | CAO | CAD | HAD | 0.5° | 90.0° |
| CAO | CAE | CAG | HAE | 180.0° | 90.0° |
| CAO | CAE | CAG | CAP | 0.5° | 90.0° |
| CAE | CAO | CAD | CAF | 0.4° | 90.0° |
| CAE | CAO | NAK | HAK | 156.9° | 90.0° |
| CAE | CAO | CAD | HAD | 179.6° | 90.0° |
| CAO | CAE | CAG | HAG | 179.4° | 90.0° |
| CAD | CAO | CAE | CAG | 0.8° | 90.0° |
| CAO | CAD | CAF | HAD | 180.0° | 90.0° |
| CAO | CAD | CAF | CAP | 0.2° | 90.0° |
| CAD | CAO | NAK | HAK | 22.2° | 90.0° |
| CAD | CAO | CAE | HAE | 179.2° | 90.0° |
| CAO | CAD | CAF | HAF | 179.8° | 90.0° |
| CAE | CAG | CAP | HAG | 180.0° | 90.0° |
| CAE | CAG | CAP | CAF | 0.1° | 90.0° |
| CAE | CAG | CAP | CAM | 179.7° | 90.0° |
| CAG | CAP | CAF | CAD | 0.5° | 90.0° |
| CAG | CAP | CAF | CAM | 179.8° | 90.0° |
| CAG | CAP | CAM | OAB | 147.3° | 90.0° |
| CAG | CAP | CAM | NAJ | 33.4° | 90.0° |
| CAP | CAG | CAE | HAE | 179.4° | 90.0° |
| CAG | CAP | CAF | HAF | 179.5° | 90.0° |
| CAD | CAF | CAP | HAF | 180.0° | 90.0° |
| CAD | CAF | CAP | CAM | 179.3° | 90.0° |
| CAF | CAP | CAM | OAB | 32.8° | 90.0° |
| CAF | CAP | CAM | NAJ | 146.4° | 90.0° |
| CAP | CAF | CAD | HAD | 179.8° | 90.0° |
| CAF | CAP | CAG | HAG | 179.9° | 90.0° |
| CAP | CAM | OAB | NAJ | 179.1° | 90.0° |
| CAP | CAM | NAJ | CAA | 179.8° | 90.0° |
| CAM | CAP | CAG | HAG | 0.3° | 90.0° |
| CAM | CAP | CAF | HAF | 0.7° | 90.0° |
| CAP | CAM | NAJ | HAJ | 0.2° | 90.0° |
| OAB | CAM | NAJ | CAA | 0.6° | 90.0° |
| OAB | CAM | NAJ | HAJ | 179.4° | 90.0° |
| CAM | NAJ | CAA | HAJ | 180.0° | 90.0° |
| CAM | NAJ | CAA | HAA1 | 135.2° | 90.0° |
| CAM | NAJ | CAA | HAA2 | 15.3° | 90.0° |
| CAM | NAJ | CAA | HAA3 | 104.8° | 90.0° |
| NAJ | CAA | HAA1 | HAA2 | 120.0° | 90.0° |
| NAJ | CAA | HAA1 | HAA3 | 120.0° | 90.0° |
| NAJ | CAA | HAA2 | HAA3 | 120.0° | 90.0° |
| HAE | CAE | CAG | HAG | 0.6° | 90.0° |
| HAD | CAD | CAF | HAF | 0.2° | 90.0° |
| HAJ | NAJ | CAA | HAA1 | 44.8° | 90.0° |
| HAJ | NAJ | CAA | HAA2 | 164.7° | 90.0° |
| HAJ | NAJ | CAA | HAA3 | 75.2° | 90.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 90.0° |
