018
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAR | NAQ | doub | 1.22Å | 1.23Å | |
| NAQ | OAP | sing | 1.22Å | 1.36Å | |
| NAQ | CAI | sing | 1.48Å | 1.39Å | |
| CAI | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAJ | sing | 1.39Å | 1.42Å | Aromatic |
| CAH | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAD | CAC | sing | 1.51Å | 1.51Å | |
| CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | FAA | sing | 1.40Å | 1.31Å | |
| CAC | FAG | sing | 1.40Å | 1.32Å | |
| CAC | FAB | sing | 1.40Å | 1.32Å | |
| CAJ | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAJ | NAK | sing | 1.40Å | 1.38Å | |
| CAF | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| NAK | CAL | sing | 1.47Å | 1.47Å | |
| NAK | HNAK | sing | 0.97Å | 1.00Å | |
| CAL | CAM | sing | 1.51Å | 1.49Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAM | CAN | doub | 1.33Å | 1.39Å | Aromatic |
| CAM | CAS | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | SAO | sing | 1.76Å | 1.73Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| SAO | CAT | sing | 1.76Å | 1.70Å | Aromatic |
| CAT | CAS | doub | 1.33Å | 1.38Å | Aromatic |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAR | NAQ | OAP | 112.8° | 120.0° |
| OAR | NAQ | CAI | 127.1° | 120.0° |
| OAP | NAQ | CAI | 120.1° | 120.0° |
| NAQ | CAI | CAH | 121.2° | 120.0° |
| NAQ | CAI | CAJ | 121.2° | 120.0° |
| CAH | CAI | CAJ | 117.7° | 120.0° |
| CAI | CAH | CAD | 122.2° | 120.0° |
| CAI | CAH | HAH | 118.9° | 120.0° |
| CAI | CAJ | CAF | 119.8° | 119.9° |
| CAI | CAJ | NAK | 121.3° | 120.1° |
| CAD | CAH | HAH | 118.9° | 120.0° |
| CAH | CAD | CAC | 120.6° | 119.9° |
| CAH | CAD | CAE | 119.4° | 120.2° |
| CAC | CAD | CAE | 120.0° | 120.0° |
| CAD | CAC | FAA | 109.1° | 109.4° |
| CAD | CAC | FAG | 111.7° | 109.5° |
| CAD | CAC | FAB | 110.5° | 109.5° |
| CAD | CAE | CAF | 119.7° | 120.0° |
| CAD | CAE | HAE | 120.2° | 120.0° |
| FAA | CAC | FAG | 108.3° | 109.5° |
| FAA | CAC | FAB | 108.7° | 109.4° |
| FAG | CAC | FAB | 108.5° | 109.5° |
| CAF | CAJ | NAK | 118.9° | 120.0° |
| CAJ | CAF | CAE | 121.2° | 119.9° |
| CAJ | CAF | HAF | 119.4° | 120.1° |
| CAJ | NAK | CAL | 123.6° | 120.0° |
| CAJ | NAK | HNAK | 105.0° | 120.0° |
| CAE | CAF | HAF | 119.4° | 120.0° |
| CAF | CAE | HAE | 120.2° | 120.0° |
| CAL | NAK | HNAK | 105.0° | 120.0° |
| NAK | CAL | CAM | 113.3° | 109.5° |
| NAK | CAL | HAL | 108.2° | 109.5° |
| NAK | CAL | HALA | 107.3° | 109.5° |
| CAM | CAL | HAL | 108.2° | 109.5° |
| CAM | CAL | HALA | 107.3° | 109.5° |
| CAL | CAM | CAN | 124.5° | 122.5° |
| CAL | CAM | CAS | 119.9° | 122.5° |
| HAL | CAL | HALA | 112.5° | 109.5° |
| CAN | CAM | CAS | 115.6° | 114.9° |
| CAM | CAN | SAO | 102.8° | 109.6° |
| CAM | CAN | HAN | 128.6° | 125.2° |
| CAM | CAS | CAT | 117.7° | 114.9° |
| CAM | CAS | HAS | 121.1° | 122.5° |
| SAO | CAN | HAN | 128.6° | 125.2° |
| CAN | SAO | CAT | 100.6° | 90.9° |
| SAO | CAT | CAS | 103.3° | 109.6° |
| SAO | CAT | HAT | 128.4° | 125.1° |
| CAS | CAT | HAT | 128.3° | 125.3° |
| CAT | CAS | HAS | 121.1° | 122.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAR | NAQ | OAP | CAI | 178.5° | 179.8° |
| OAR | NAQ | CAI | CAH | 0.7° | 142.5° |
| OAR | NAQ | CAI | CAJ | 178.9° | 37.7° |
| OAP | NAQ | CAI | CAH | 179.0° | 37.7° |
| OAP | NAQ | CAI | CAJ | 0.6° | 142.1° |
| NAQ | CAI | CAH | CAJ | 179.6° | 179.8° |
| NAQ | CAI | CAH | CAD | 179.1° | 180.0° |
| NAQ | CAI | CAH | HAH | 0.9° | 0.0° |
| NAQ | CAI | CAJ | CAF | 179.2° | 180.0° |
| NAQ | CAI | CAJ | NAK | 0.8° | 0.1° |
| CAI | CAH | CAD | HAH | 180.0° | 180.0° |
| CAI | CAH | CAD | CAC | 179.5° | 180.0° |
| CAI | CAH | CAD | CAE | 0.8° | 0.0° |
| CAH | CAI | CAJ | CAF | 0.4° | 0.2° |
| CAH | CAI | CAJ | NAK | 179.7° | 179.7° |
| CAJ | CAI | CAH | CAD | 0.5° | 0.2° |
| CAJ | CAI | CAH | HAH | 179.6° | 179.7° |
| CAI | CAJ | CAF | NAK | 180.0° | 179.9° |
| CAI | CAJ | CAF | CAE | 0.6° | 0.1° |
| CAI | CAJ | CAF | HAF | 179.4° | 180.0° |
| CAI | CAJ | NAK | CAL | 177.0° | 174.2° |
| CAI | CAJ | NAK | HNAK | 62.9° | 5.7° |
| CAH | CAD | CAC | CAE | 179.7° | 179.9° |
| CAH | CAD | CAC | FAA | 13.3° | 90.1° |
| CAH | CAD | CAC | FAG | 106.3° | 150.0° |
| CAH | CAD | CAC | FAB | 132.7° | 29.9° |
| CAH | CAD | CAE | CAF | 1.0° | 0.3° |
| CAH | CAD | CAE | HAE | 179.0° | 180.0° |
| HAH | CAH | CAD | CAC | 0.5° | 0.1° |
| HAH | CAH | CAD | CAE | 179.2° | 180.0° |
| CAD | CAC | FAA | FAG | 121.8° | 120.0° |
| CAD | CAC | FAA | FAB | 120.5° | 120.0° |
| CAD | CAC | FAG | FAB | 122.1° | 120.1° |
| CAC | CAD | CAE | CAF | 179.2° | 179.7° |
| CAC | CAD | CAE | HAE | 0.8° | 0.0° |
| CAE | CAD | CAC | FAA | 166.4° | 90.0° |
| CAE | CAD | CAC | FAG | 73.9° | 30.0° |
| CAE | CAD | CAC | FAB | 47.0° | 150.0° |
| CAD | CAE | CAF | CAJ | 1.0° | 0.3° |
| CAD | CAE | CAF | HAE | 180.0° | 179.7° |
| CAD | CAE | CAF | HAF | 179.0° | 179.7° |
| FAA | CAC | FAG | FAB | 117.8° | 120.0° |
| CAJ | CAF | CAE | HAF | 180.0° | 180.0° |
| CAJ | CAF | CAE | HAE | 179.0° | 180.0° |
| CAF | CAJ | NAK | CAL | 3.0° | 5.9° |
| CAF | CAJ | NAK | HNAK | 117.0° | 174.2° |
| NAK | CAJ | CAF | CAE | 179.4° | 180.0° |
| NAK | CAJ | CAF | HAF | 0.6° | 0.1° |
| CAJ | NAK | CAL | HNAK | 120.0° | 179.9° |
| CAJ | NAK | CAL | CAM | 89.0° | 180.0° |
| CAJ | NAK | CAL | HAL | 151.0° | 60.0° |
| CAJ | NAK | CAL | HALA | 29.3° | 60.1° |
| HAF | CAF | CAE | HAE | 1.0° | 0.0° |
| NAK | CAL | CAM | HAL | 120.0° | 120.0° |
| NAK | CAL | CAM | HALA | 118.3° | 120.0° |
| NAK | CAL | HAL | HALA | 118.4° | 120.0° |
| NAK | CAL | CAM | CAN | 179.3° | 90.0° |
| NAK | CAL | CAM | CAS | 1.6° | 90.3° |
| HNAK | NAK | CAL | CAM | 31.0° | 0.1° |
| HNAK | NAK | CAL | HAL | 89.0° | 119.9° |
| HNAK | NAK | CAL | HALA | 149.4° | 120.0° |
| CAM | CAL | HAL | HALA | 118.4° | 120.0° |
| CAL | CAM | CAN | CAS | 179.2° | 179.8° |
| CAL | CAM | CAN | SAO | 179.9° | 180.0° |
| CAL | CAM | CAN | HAN | 0.1° | 0.0° |
| CAL | CAM | CAS | CAT | 179.1° | 179.7° |
| CAL | CAM | CAS | HAS | 0.9° | 0.0° |
| HAL | CAL | CAM | CAN | 60.7° | 30.0° |
| HAL | CAL | CAM | CAS | 118.5° | 149.8° |
| HALA | CAL | CAM | CAN | 61.0° | 150.0° |
| HALA | CAL | CAM | CAS | 119.9° | 29.7° |
| CAM | CAN | SAO | HAN | 180.0° | 180.0° |
| CAM | CAN | SAO | CAT | 1.1° | 0.0° |
| CAN | CAM | CAS | CAT | 0.0° | 0.5° |
| CAN | CAM | CAS | HAS | 179.9° | 179.8° |
| CAS | CAM | CAN | SAO | 0.7° | 0.2° |
| CAS | CAM | CAN | HAN | 179.2° | 179.8° |
| CAM | CAS | CAT | SAO | 0.8° | 0.5° |
| CAM | CAS | CAT | HAS | 180.0° | 179.7° |
| CAM | CAS | CAT | HAT | 179.2° | 179.8° |
| CAN | SAO | CAT | CAS | 1.1° | 0.3° |
| CAN | SAO | CAT | HAT | 178.9° | 180.0° |
| HAN | CAN | SAO | CAT | 178.9° | 180.0° |
| SAO | CAT | CAS | HAT | 180.0° | 179.7° |
| SAO | CAT | CAS | HAS | 179.2° | 179.8° |
| HAT | CAT | CAS | HAS | 0.9° | 0.1° |
