FUZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAM | doub | 1.21Å | 1.27Å | |
| CAM | OAB | sing | 1.35Å | 1.23Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAH | CAC | doub | 1.38Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.40Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAI | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | CAF | doub | 1.35Å | 1.34Å | Aromatic |
| CAE | CAG | sing | 1.41Å | 1.34Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | OAL | sing | 1.34Å | 1.38Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAN | doub | 1.34Å | 1.33Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAO | CAH | sing | 1.39Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAP | CAI | sing | 1.40Å | 1.41Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAN | CAJ | sing | 1.51Å | 1.54Å | |
| CAJ | NAK | sing | 1.47Å | 1.50Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| NAK | CAO | sing | 1.39Å | 1.36Å | |
| NAK | HNAK | sing | 0.97Å | 1.00Å | |
| OAL | CAN | sing | 1.34Å | 1.39Å | Aromatic |
| CAM | CAP | sing | 1.47Å | 1.56Å | |
| CAO | CAP | doub | 1.40Å | 1.41Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAM | OAB | 124.7° | 120.0° |
| OAA | CAM | CAP | 119.3° | 120.1° |
| CAM | OAB | HOAB | 109.5° | 117.0° |
| OAB | CAM | CAP | 115.9° | 120.0° |
| CAH | CAC | CAD | 120.0° | 120.4° |
| CAH | CAC | HAC | 120.0° | 119.8° |
| CAC | CAH | CAO | 121.1° | 120.0° |
| CAC | CAH | HAH | 119.5° | 120.0° |
| CAD | CAC | HAC | 120.0° | 119.8° |
| CAC | CAD | CAI | 120.0° | 120.4° |
| CAC | CAD | HAD | 120.0° | 119.8° |
| CAI | CAD | HAD | 120.0° | 119.8° |
| CAD | CAI | CAP | 119.4° | 119.9° |
| CAD | CAI | HAI | 120.3° | 120.1° |
| CAF | CAE | CAG | 110.2° | 106.8° |
| CAF | CAE | HAE | 124.9° | 126.5° |
| CAE | CAF | OAL | 107.3° | 108.4° |
| CAE | CAF | HAF | 126.3° | 125.8° |
| CAG | CAE | HAE | 124.9° | 126.6° |
| CAE | CAG | CAN | 107.6° | 106.9° |
| CAE | CAG | HAG | 126.2° | 126.5° |
| OAL | CAF | HAF | 126.3° | 125.8° |
| CAF | OAL | CAN | 105.8° | 109.5° |
| CAN | CAG | HAG | 126.2° | 126.6° |
| CAG | CAN | CAJ | 128.6° | 125.8° |
| CAG | CAN | OAL | 109.0° | 108.4° |
| CAO | CAH | HAH | 119.5° | 120.0° |
| CAH | CAO | NAK | 123.8° | 120.2° |
| CAH | CAO | CAP | 118.4° | 119.7° |
| CAP | CAI | HAI | 120.3° | 120.0° |
| CAI | CAP | CAM | 121.2° | 120.2° |
| CAI | CAP | CAO | 121.2° | 119.6° |
| CAN | CAJ | NAK | 107.1° | 109.4° |
| CAN | CAJ | HAJ | 110.3° | 109.5° |
| CAN | CAJ | HAJA | 110.3° | 109.5° |
| CAJ | CAN | OAL | 122.3° | 125.8° |
| NAK | CAJ | HAJ | 110.3° | 109.5° |
| NAK | CAJ | HAJA | 110.3° | 109.5° |
| CAJ | NAK | CAO | 126.9° | 120.0° |
| CAJ | NAK | HNAK | 104.0° | 120.0° |
| HAJ | CAJ | HAJA | 108.7° | 109.5° |
| CAO | NAK | HNAK | 104.0° | 120.1° |
| NAK | CAO | CAP | 117.8° | 120.2° |
| CAM | CAP | CAO | 117.6° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAM | OAB | CAP | 179.7° | 180.0° |
| OAA | CAM | OAB | HOAB | 0.0° | 0.0° |
| OAA | CAM | CAP | CAI | 174.2° | 174.1° |
| OAA | CAM | CAP | CAO | 8.1° | 6.1° |
| OAB | CAM | CAP | CAI | 6.1° | 5.9° |
| OAB | CAM | CAP | CAO | 171.6° | 173.9° |
| HOAB | OAB | CAM | CAP | 179.7° | 180.0° |
| CAH | CAC | CAD | HAC | 180.0° | 179.7° |
| CAH | CAC | CAD | CAI | 1.8° | 0.3° |
| CAH | CAC | CAD | HAD | 178.2° | 179.7° |
| CAC | CAH | CAO | HAH | 180.0° | 180.0° |
| CAC | CAH | CAO | NAK | 179.9° | 179.9° |
| CAC | CAH | CAO | CAP | 0.1° | 0.5° |
| CAC | CAD | CAI | HAD | 180.0° | 180.0° |
| CAD | CAC | CAH | CAO | 1.4° | 0.0° |
| CAD | CAC | CAH | HAH | 178.6° | 180.0° |
| CAC | CAD | CAI | CAP | 0.9° | 0.0° |
| CAC | CAD | CAI | HAI | 179.1° | 180.0° |
| HAC | CAC | CAD | CAI | 178.2° | 180.0° |
| HAC | CAC | CAD | HAD | 1.8° | 0.0° |
| HAC | CAC | CAH | CAO | 178.6° | 179.8° |
| HAC | CAC | CAH | HAH | 1.4° | 0.3° |
| CAD | CAI | CAP | HAI | 180.0° | 180.0° |
| CAD | CAI | CAP | CAM | 178.0° | 179.7° |
| CAD | CAI | CAP | CAO | 0.4° | 0.5° |
| HAD | CAD | CAI | CAP | 179.1° | 180.0° |
| HAD | CAD | CAI | HAI | 0.9° | 0.0° |
| CAF | CAE | CAG | HAE | 180.0° | 179.8° |
| CAE | CAF | OAL | HAF | 180.0° | 180.0° |
| CAF | CAE | CAG | CAN | 1.5° | 0.0° |
| CAF | CAE | CAG | HAG | 178.5° | 180.0° |
| CAE | CAF | OAL | CAN | 1.1° | 0.0° |
| CAG | CAE | CAF | OAL | 0.2° | 0.0° |
| CAG | CAE | CAF | HAF | 179.8° | 180.0° |
| CAE | CAG | CAN | HAG | 180.0° | 180.0° |
| CAE | CAG | CAN | CAJ | 178.9° | 180.0° |
| CAE | CAG | CAN | OAL | 2.3° | 0.0° |
| HAE | CAE | CAF | OAL | 179.8° | 179.8° |
| HAE | CAE | CAF | HAF | 0.2° | 0.3° |
| HAE | CAE | CAG | CAN | 178.4° | 179.8° |
| HAE | CAE | CAG | HAG | 1.5° | 0.2° |
| CAF | OAL | CAN | CAG | 2.1° | 0.0° |
| CAF | OAL | CAN | CAJ | 179.0° | 180.0° |
| HAF | CAF | OAL | CAN | 178.8° | 179.9° |
| CAG | CAN | CAJ | OAL | 176.2° | 179.9° |
| CAG | CAN | CAJ | NAK | 61.4° | 90.1° |
| CAG | CAN | CAJ | HAJ | 58.6° | 30.0° |
| CAG | CAN | CAJ | HAJA | 178.6° | 150.0° |
| HAG | CAG | CAN | CAJ | 1.1° | 0.0° |
| HAG | CAG | CAN | OAL | 177.7° | 180.0° |
| CAH | CAO | CAP | CAI | 0.8° | 0.7° |
| CAH | CAO | NAK | CAJ | 0.2° | 5.5° |
| CAH | CAO | NAK | CAP | 179.9° | 179.4° |
| CAH | CAO | NAK | HNAK | 120.2° | 174.6° |
| CAH | CAO | CAP | CAM | 178.5° | 179.5° |
| HAH | CAH | CAO | NAK | 0.1° | 0.0° |
| HAH | CAH | CAO | CAP | 179.9° | 179.5° |
| CAI | CAP | CAO | NAK | 179.2° | 179.8° |
| CAI | CAP | CAM | CAO | 177.7° | 179.8° |
| HAI | CAI | CAP | CAM | 2.0° | 0.3° |
| HAI | CAI | CAP | CAO | 179.6° | 179.5° |
| CAN | CAJ | NAK | HAJ | 120.0° | 120.0° |
| CAN | CAJ | NAK | HAJA | 120.0° | 120.0° |
| CAN | CAJ | HAJ | HAJA | 121.0° | 120.0° |
| CAN | CAJ | NAK | CAO | 82.4° | 180.0° |
| CAN | CAJ | NAK | HNAK | 37.6° | 0.1° |
| NAK | CAJ | HAJ | HAJA | 121.0° | 120.0° |
| CAJ | NAK | CAO | HNAK | 120.0° | 179.9° |
| NAK | CAJ | CAN | OAL | 114.8° | 90.0° |
| CAJ | NAK | CAO | CAP | 179.8° | 175.0° |
| HAJ | CAJ | NAK | CAO | 157.6° | 59.9° |
| HAJ | CAJ | NAK | HNAK | 82.4° | 120.0° |
| HAJ | CAJ | CAN | OAL | 125.2° | 150.0° |
| HAJA | CAJ | NAK | CAO | 37.6° | 60.1° |
| HAJA | CAJ | NAK | HNAK | 157.5° | 120.0° |
| HAJA | CAJ | CAN | OAL | 5.1° | 30.0° |
| NAK | CAO | CAP | CAM | 1.5° | 0.0° |
| HNAK | NAK | CAO | CAP | 59.9° | 4.8° |
