17D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAM | doub | 1.21Å | 1.25Å | |
| CAM | OAB | sing | 1.35Å | 1.27Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAD | CAC | doub | 1.38Å | 1.40Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.41Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAH | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAI | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAN | doub | 1.38Å | 1.43Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAN | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAP | doub | 1.40Å | 1.41Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAO | CAL | sing | 1.51Å | 1.54Å | |
| CAL | CAN | sing | 1.51Å | 1.50Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAP | CAM | sing | 1.48Å | 1.54Å | |
| CAO | CAP | sing | 1.40Å | 1.41Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAM | OAB | 124.6° | 120.0° |
| OAA | CAM | CAP | 113.9° | 120.0° |
| CAM | OAB | HOAB | 109.5° | 117.0° |
| OAB | CAM | CAP | 121.5° | 120.0° |
| CAD | CAC | CAE | 122.7° | 120.0° |
| CAD | CAC | HAC | 118.6° | 120.0° |
| CAC | CAD | CAH | 119.5° | 120.0° |
| CAC | CAD | HAD | 120.2° | 120.0° |
| CAE | CAC | HAC | 118.7° | 120.0° |
| CAC | CAE | CAI | 118.2° | 120.0° |
| CAC | CAE | HAE | 120.9° | 120.0° |
| CAH | CAD | HAD | 120.3° | 120.0° |
| CAD | CAH | CAN | 118.3° | 120.0° |
| CAD | CAH | HAH | 120.8° | 120.0° |
| CAI | CAE | HAE | 120.9° | 120.0° |
| CAE | CAI | CAN | 119.3° | 120.0° |
| CAE | CAI | HAI | 120.3° | 119.9° |
| CAG | CAF | CAJ | 120.3° | 120.3° |
| CAG | CAF | HAF | 119.8° | 119.8° |
| CAF | CAG | CAK | 121.3° | 120.1° |
| CAF | CAG | HAG | 119.4° | 120.0° |
| CAJ | CAF | HAF | 119.9° | 119.9° |
| CAF | CAJ | CAO | 120.1° | 120.1° |
| CAF | CAJ | HAJ | 120.0° | 119.9° |
| CAK | CAG | HAG | 119.4° | 119.9° |
| CAG | CAK | CAP | 118.1° | 119.9° |
| CAG | CAK | HAK | 121.0° | 120.1° |
| CAN | CAH | HAH | 120.8° | 120.1° |
| CAH | CAN | CAI | 121.8° | 120.0° |
| CAH | CAN | CAL | 122.5° | 120.0° |
| CAN | CAI | HAI | 120.3° | 120.0° |
| CAI | CAN | CAL | 115.6° | 120.0° |
| CAO | CAJ | HAJ | 119.9° | 119.9° |
| CAJ | CAO | CAL | 117.4° | 120.1° |
| CAJ | CAO | CAP | 118.8° | 119.9° |
| CAP | CAK | HAK | 121.0° | 120.1° |
| CAK | CAP | CAM | 116.9° | 120.2° |
| CAK | CAP | CAO | 121.5° | 119.7° |
| CAO | CAL | CAN | 119.3° | 109.5° |
| CAO | CAL | HAL | 106.3° | 109.5° |
| CAO | CAL | HALA | 106.3° | 109.5° |
| CAL | CAO | CAP | 123.7° | 120.0° |
| CAN | CAL | HAL | 106.3° | 109.5° |
| CAN | CAL | HALA | 106.3° | 109.4° |
| HAL | CAL | HALA | 112.4° | 109.5° |
| CAM | CAP | CAO | 121.7° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAM | OAB | CAP | 179.5° | 179.9° |
| OAA | CAM | OAB | HOAB | 0.0° | 0.0° |
| OAA | CAM | CAP | CAK | 23.9° | 174.3° |
| OAA | CAM | CAP | CAO | 155.0° | 5.6° |
| OAB | CAM | CAP | CAK | 156.5° | 5.7° |
| OAB | CAM | CAP | CAO | 24.5° | 174.3° |
| HOAB | OAB | CAM | CAP | 179.5° | 179.9° |
| CAD | CAC | CAE | HAC | 180.0° | 179.7° |
| CAC | CAD | CAH | HAD | 180.0° | 180.0° |
| CAD | CAC | CAE | CAI | 0.3° | 0.4° |
| CAD | CAC | CAE | HAE | 179.7° | 179.8° |
| CAC | CAD | CAH | CAN | 2.3° | 0.0° |
| CAC | CAD | CAH | HAH | 177.7° | 179.9° |
| CAE | CAC | CAD | CAH | 1.3° | 0.1° |
| CAE | CAC | CAD | HAD | 178.7° | 179.9° |
| CAC | CAE | CAI | HAE | 180.0° | 179.8° |
| CAC | CAE | CAI | CAN | 1.0° | 0.7° |
| CAC | CAE | CAI | HAI | 179.1° | 179.9° |
| HAC | CAC | CAD | CAH | 178.7° | 179.8° |
| HAC | CAC | CAD | HAD | 1.3° | 0.2° |
| HAC | CAC | CAE | CAI | 179.6° | 179.8° |
| HAC | CAC | CAE | HAE | 0.4° | 0.1° |
| CAD | CAH | CAN | HAH | 180.0° | 179.9° |
| CAD | CAH | CAN | CAI | 1.7° | 0.2° |
| CAD | CAH | CAN | CAL | 178.4° | 180.0° |
| HAD | CAD | CAH | CAN | 177.7° | 179.9° |
| HAD | CAD | CAH | HAH | 2.2° | 0.0° |
| CAE | CAI | CAN | CAH | 0.0° | 0.6° |
| CAE | CAI | CAN | HAI | 180.0° | 179.4° |
| CAE | CAI | CAN | CAL | 180.0° | 179.7° |
| HAE | CAE | CAI | CAN | 179.0° | 179.5° |
| HAE | CAE | CAI | HAI | 0.9° | 0.2° |
| CAG | CAF | CAJ | HAF | 180.0° | 179.7° |
| CAF | CAG | CAK | HAG | 180.0° | 179.9° |
| CAG | CAF | CAJ | CAO | 0.4° | 0.1° |
| CAG | CAF | CAJ | HAJ | 179.6° | 180.0° |
| CAF | CAG | CAK | CAP | 0.4° | 0.0° |
| CAF | CAG | CAK | HAK | 179.6° | 180.0° |
| CAJ | CAF | CAG | CAK | 0.0° | 0.0° |
| CAJ | CAF | CAG | HAG | 180.0° | 180.0° |
| CAF | CAJ | CAO | HAJ | 180.0° | 179.9° |
| CAF | CAJ | CAO | CAL | 176.1° | 180.0° |
| CAF | CAJ | CAO | CAP | 0.5° | 0.1° |
| HAF | CAF | CAG | CAK | 179.9° | 179.8° |
| HAF | CAF | CAG | HAG | 0.1° | 0.3° |
| HAF | CAF | CAJ | CAO | 179.6° | 179.8° |
| HAF | CAF | CAJ | HAJ | 0.4° | 0.3° |
| CAG | CAK | CAP | HAK | 180.0° | 180.0° |
| CAG | CAK | CAP | CAM | 178.7° | 180.0° |
| CAG | CAK | CAP | CAO | 0.3° | 0.1° |
| HAG | CAG | CAK | CAP | 179.6° | 180.0° |
| HAG | CAG | CAK | HAK | 0.4° | 0.1° |
| CAH | CAN | CAI | CAL | 179.9° | 179.7° |
| CAH | CAN | CAI | HAI | 179.9° | 179.9° |
| CAH | CAN | CAL | CAO | 1.3° | 85.4° |
| CAH | CAN | CAL | HAL | 121.3° | 154.6° |
| CAH | CAN | CAL | HALA | 118.7° | 34.6° |
| HAH | CAH | CAN | CAI | 178.3° | 179.7° |
| HAH | CAH | CAN | CAL | 1.6° | 0.0° |
| CAI | CAN | CAL | CAO | 178.6° | 94.9° |
| CAI | CAN | CAL | HAL | 58.6° | 25.2° |
| CAI | CAN | CAL | HALA | 61.4° | 145.2° |
| HAI | CAI | CAN | CAL | 0.0° | 0.3° |
| CAJ | CAO | CAP | CAK | 0.1° | 0.1° |
| CAJ | CAO | CAL | CAP | 176.4° | 179.9° |
| CAJ | CAO | CAL | CAN | 68.6° | 3.8° |
| CAJ | CAO | CAL | HAL | 51.5° | 116.2° |
| CAJ | CAO | CAL | HALA | 171.5° | 123.7° |
| CAJ | CAO | CAP | CAM | 179.1° | 180.0° |
| HAJ | CAJ | CAO | CAL | 3.9° | 0.1° |
| HAJ | CAJ | CAO | CAP | 179.5° | 180.0° |
| CAK | CAP | CAO | CAL | 176.2° | 180.0° |
| CAK | CAP | CAM | CAO | 179.0° | 180.0° |
| HAK | CAK | CAP | CAM | 1.4° | 0.0° |
| HAK | CAK | CAP | CAO | 179.7° | 180.0° |
| CAO | CAL | CAN | HAL | 120.0° | 120.0° |
| CAO | CAL | CAN | HALA | 120.0° | 120.0° |
| CAO | CAL | HAL | HALA | 116.0° | 120.0° |
| CAL | CAO | CAP | CAM | 2.7° | 0.1° |
| CAN | CAL | HAL | HALA | 115.9° | 120.0° |
| CAN | CAL | CAO | CAP | 115.0° | 176.3° |
| HAL | CAL | CAO | CAP | 124.9° | 63.6° |
| HALA | CAL | CAO | CAP | 4.9° | 56.4° |
