651
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAU | sing | 1.43Å | 1.43Å | |
| CAB | CAC | doub | 1.38Å | 1.40Å | Aromatic |
| CAB | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAR | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAM | sing | 1.53Å | 1.53Å | |
| CAK | CAS | sing | 1.53Å | 1.52Å | |
| CAL | CAN | sing | 1.53Å | 1.53Å | |
| CAL | CAS | sing | 1.53Å | 1.52Å | |
| CAM | NAT | sing | 1.47Å | 1.48Å | |
| CAN | NAT | sing | 1.47Å | 1.47Å | |
| CAO | NAT | sing | 1.47Å | 1.48Å | |
| CAO | CAU | sing | 1.53Å | 1.53Å | |
| CAP | CAQ | sing | 1.48Å | 1.39Å | Aromatic |
| CAR | CAU | sing | 1.51Å | 1.51Å | |
| CAS | CAU | sing | 1.53Å | 1.53Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAU | CAO | 108.3° | 109.6° |
| OAA | CAU | CAR | 106.3° | 109.6° |
| OAA | CAU | CAS | 107.7° | 109.6° |
| CAU | OAA | HOAA | 109.5° | 114.0° |
| CAC | CAB | CAD | 117.1° | 120.2° |
| CAB | CAC | CAE | 120.2° | 120.1° |
| CAC | CAB | HAB | 121.5° | 119.9° |
| CAB | CAC | HAC | 119.9° | 120.0° |
| CAB | CAD | CAF | 121.8° | 120.2° |
| CAD | CAB | HAB | 121.4° | 119.9° |
| CAB | CAD | HAD | 119.1° | 119.9° |
| CAC | CAE | CAP | 123.3° | 119.9° |
| CAE | CAC | HAC | 119.9° | 119.9° |
| CAC | CAE | HAE | 118.3° | 120.0° |
| CAD | CAF | CAP | 121.8° | 119.9° |
| CAF | CAD | HAD | 119.1° | 120.0° |
| CAD | CAF | HAF | 119.1° | 120.1° |
| CAE | CAP | CAF | 115.7° | 119.8° |
| CAE | CAP | CAQ | 122.1° | 120.1° |
| CAP | CAE | HAE | 118.4° | 120.1° |
| CAF | CAP | CAQ | 122.1° | 120.2° |
| CAP | CAF | HAF | 119.1° | 120.0° |
| CAI | CAG | CAQ | 123.0° | 119.9° |
| CAG | CAI | CAR | 121.3° | 120.1° |
| CAI | CAG | HAG | 118.5° | 120.0° |
| CAG | CAI | HAI | 119.4° | 120.0° |
| CAG | CAQ | CAH | 115.5° | 119.8° |
| CAG | CAQ | CAP | 121.7° | 120.1° |
| CAQ | CAG | HAG | 118.5° | 120.1° |
| CAJ | CAH | CAQ | 122.1° | 119.8° |
| CAH | CAJ | CAR | 121.8° | 120.1° |
| CAJ | CAH | HAH | 119.0° | 120.0° |
| CAH | CAJ | HAJ | 119.1° | 119.9° |
| CAH | CAQ | CAP | 122.9° | 120.1° |
| CAQ | CAH | HAH | 118.9° | 120.1° |
| CAI | CAR | CAJ | 116.4° | 120.2° |
| CAI | CAR | CAU | 122.4° | 119.9° |
| CAR | CAI | HAI | 119.4° | 119.9° |
| CAJ | CAR | CAU | 121.2° | 119.9° |
| CAR | CAJ | HAJ | 119.1° | 119.9° |
| CAM | CAK | CAS | 107.1° | 108.8° |
| CAK | CAM | NAT | 110.2° | 109.4° |
| CAM | CAK | HAK | 110.3° | 109.6° |
| CAM | CAK | HAKA | 110.3° | 109.6° |
| CAK | CAM | HAM | 109.2° | 109.5° |
| CAK | CAM | HAMA | 109.2° | 109.5° |
| CAK | CAS | CAL | 104.3° | 108.6° |
| CAK | CAS | CAU | 112.0° | 108.6° |
| CAS | CAK | HAK | 110.3° | 109.6° |
| CAS | CAK | HAKA | 110.3° | 109.6° |
| CAK | CAS | HAS | 112.1° | 110.1° |
| CAN | CAL | CAS | 108.5° | 108.8° |
| CAL | CAN | NAT | 107.7° | 109.4° |
| CAN | CAL | HAL | 109.8° | 109.6° |
| CAN | CAL | HALA | 109.8° | 109.5° |
| CAL | CAN | HAN | 110.0° | 109.5° |
| CAL | CAN | HANA | 110.0° | 109.5° |
| CAL | CAS | CAU | 111.9° | 108.6° |
| CAS | CAL | HAL | 109.8° | 109.5° |
| CAS | CAL | HALA | 109.8° | 109.6° |
| CAL | CAS | HAS | 112.2° | 110.2° |
| CAM | NAT | CAN | 109.6° | 111.1° |
| CAM | NAT | CAO | 111.3° | 111.1° |
| NAT | CAM | HAM | 109.2° | 109.5° |
| NAT | CAM | HAMA | 109.3° | 109.5° |
| CAN | NAT | CAO | 110.6° | 111.0° |
| NAT | CAN | HAN | 110.1° | 109.5° |
| NAT | CAN | HANA | 110.1° | 109.5° |
| NAT | CAO | CAU | 109.7° | 109.4° |
| NAT | CAO | HAO | 109.4° | 109.4° |
| NAT | CAO | HAOA | 109.4° | 109.4° |
| CAO | CAU | CAR | 113.7° | 109.5° |
| CAO | CAU | CAS | 107.1° | 108.9° |
| CAU | CAO | HAO | 109.4° | 109.5° |
| CAU | CAO | HAOA | 109.4° | 109.5° |
| CAR | CAU | CAS | 113.4° | 109.7° |
| CAU | CAS | HAS | 104.6° | 110.8° |
| HAK | CAK | HAKA | 108.7° | 109.7° |
| HAL | CAL | HALA | 109.2° | 109.7° |
| HAM | CAM | HAMA | 109.7° | 109.5° |
| HAN | CAN | HANA | 108.9° | 109.5° |
| HAO | CAO | HAOA | 109.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAU | CAR | CAI | 109.0° | 156.0° |
| OAA | CAU | CAR | CAJ | 68.3° | 24.0° |
| OAA | CAU | CAS | CAK | 169.4° | 178.8° |
| OAA | CAU | CAS | CAL | 52.7° | 60.9° |
| OAA | CAU | CAO | NAT | 105.5° | 119.9° |
| OAA | CAU | CAO | CAR | 118.0° | 120.3° |
| OAA | CAU | CAO | CAS | 115.9° | 119.8° |
| OAA | CAU | CAR | CAS | 118.2° | 120.3° |
| OAA | CAU | CAO | HAO | 134.5° | 120.2° |
| OAA | CAU | CAO | HAOA | 14.5° | 0.1° |
| OAA | CAU | CAS | HAS | 69.0° | 60.2° |
| CAC | CAB | CAD | HAB | 180.0° | 179.7° |
| CAB | CAC | CAE | HAC | 180.0° | 179.9° |
| CAC | CAB | CAD | CAF | 1.7° | 0.1° |
| CAB | CAC | CAE | CAP | 1.1° | 0.1° |
| CAC | CAB | CAD | HAD | 178.3° | 180.0° |
| CAB | CAC | CAE | HAE | 178.9° | 180.0° |
| CAD | CAB | CAC | CAE | 0.5° | 0.1° |
| CAB | CAD | CAF | HAD | 180.0° | 180.0° |
| CAB | CAD | CAF | CAP | 1.4° | 0.0° |
| CAD | CAB | CAC | HAC | 179.5° | 180.0° |
| CAB | CAD | CAF | HAF | 178.6° | 180.0° |
| CAC | CAE | CAP | HAE | 180.0° | 180.0° |
| CAC | CAE | CAP | CAF | 1.4° | 0.0° |
| CAC | CAE | CAP | CAQ | 179.0° | 180.0° |
| CAE | CAC | CAB | HAB | 179.5° | 179.7° |
| CAD | CAF | CAP | CAE | 0.2° | 0.0° |
| CAD | CAF | CAP | HAF | 180.0° | 180.0° |
| CAD | CAF | CAP | CAQ | 179.8° | 180.0° |
| CAF | CAD | CAB | HAB | 178.3° | 179.7° |
| CAE | CAP | CAF | CAQ | 179.6° | 180.0° |
| CAE | CAP | CAQ | CAG | 178.8° | NaN° |
| CAE | CAP | CAQ | CAH | 0.9° | 0.0° |
| CAP | CAE | CAC | HAC | 178.9° | 180.0° |
| CAE | CAP | CAF | HAF | 179.8° | 180.0° |
| CAF | CAP | CAQ | CAG | 1.6° | 0.0° |
| CAF | CAP | CAQ | CAH | 178.7° | 180.0° |
| CAP | CAF | CAD | HAD | 178.6° | 180.0° |
| CAF | CAP | CAE | HAE | 178.6° | 180.0° |
| CAI | CAG | CAQ | HAG | 180.0° | 179.8° |
| CAI | CAG | CAQ | CAH | 0.9° | 0.0° |
| CAG | CAI | CAR | HAI | 180.0° | 180.0° |
| CAG | CAI | CAR | CAJ | 1.5° | 0.1° |
| CAI | CAG | CAQ | CAP | 179.4° | 180.0° |
| CAG | CAI | CAR | CAU | 178.9° | 180.0° |
| CAG | CAQ | CAH | CAJ | 0.0° | 0.0° |
| CAG | CAQ | CAH | CAP | 179.7° | 180.0° |
| CAQ | CAG | CAI | CAR | 0.2° | 0.0° |
| CAG | CAQ | CAH | HAH | 180.0° | 180.0° |
| CAQ | CAG | CAI | HAI | 179.9° | 180.0° |
| CAJ | CAH | CAQ | HAH | 180.0° | 180.0° |
| CAH | CAJ | CAR | CAI | 2.3° | 0.0° |
| CAH | CAJ | CAR | HAJ | 180.0° | 180.0° |
| CAJ | CAH | CAQ | CAP | 179.7° | 180.0° |
| CAH | CAJ | CAR | CAU | 179.8° | 180.0° |
| CAQ | CAH | CAJ | CAR | 1.7° | 0.0° |
| CAH | CAQ | CAG | HAG | 179.1° | 179.8° |
| CAQ | CAH | CAJ | HAJ | 178.3° | 180.0° |
| CAI | CAR | CAJ | CAU | 177.4° | 179.9° |
| CAI | CAR | CAU | CAO | 10.1° | 35.7° |
| CAI | CAR | CAU | CAS | 132.8° | 83.7° |
| CAR | CAI | CAG | HAG | 179.8° | 179.7° |
| CAI | CAR | CAJ | HAJ | 177.7° | 179.9° |
| CAJ | CAR | CAU | CAO | 172.6° | 144.2° |
| CAJ | CAR | CAU | CAS | 49.9° | 96.3° |
| CAR | CAJ | CAH | HAH | 178.3° | 180.0° |
| CAJ | CAR | CAI | HAI | 178.5° | 180.0° |
| CAM | CAK | CAS | HAK | 120.0° | 119.8° |
| CAM | CAK | CAS | HAKA | 120.0° | 119.8° |
| CAM | CAK | CAS | CAL | 57.1° | 58.9° |
| CAK | CAM | NAT | HAM | 120.0° | 119.9° |
| CAK | CAM | NAT | HAMA | 120.0° | 120.0° |
| CAK | CAM | NAT | CAN | 67.5° | 62.0° |
| CAK | CAM | NAT | CAO | 55.2° | 62.0° |
| CAM | CAK | CAS | CAU | 64.1° | 59.0° |
| CAM | CAK | HAK | HAKA | 120.9° | 120.3° |
| CAK | CAM | HAM | HAMA | 119.7° | 120.0° |
| CAM | CAK | CAS | HAS | 178.7° | 179.6° |
| CAK | CAS | CAL | CAN | 72.5° | 59.0° |
| CAK | CAS | CAL | CAU | 121.2° | 117.9° |
| CAK | CAS | CAL | HAS | 121.6° | 120.6° |
| CAS | CAK | CAM | NAT | 8.3° | 0.0° |
| CAK | CAS | CAU | CAO | 53.1° | 59.0° |
| CAK | CAS | CAU | CAR | 73.2° | 60.9° |
| CAK | CAS | CAU | HAS | 121.6° | 121.0° |
| CAS | CAK | HAK | HAKA | 121.0° | 120.3° |
| CAK | CAS | CAL | HAL | 167.5° | 178.8° |
| CAK | CAS | CAL | HALA | 47.5° | 60.8° |
| CAS | CAK | CAM | HAM | 128.3° | 120.0° |
| CAS | CAK | CAM | HAMA | 111.7° | 120.0° |
| CAN | CAL | CAS | HAL | 120.0° | 119.8° |
| CAN | CAL | CAS | HALA | 120.0° | 119.8° |
| CAL | CAN | NAT | CAM | 52.1° | 62.0° |
| CAL | CAN | NAT | HAN | 120.0° | 120.0° |
| CAL | CAN | NAT | HANA | 120.0° | 119.9° |
| CAL | CAN | NAT | CAO | 71.0° | 62.1° |
| CAN | CAL | CAS | CAU | 48.7° | 58.9° |
| CAN | CAL | HAL | HALA | 120.4° | 120.3° |
| CAL | CAN | HAN | HANA | 120.7° | 120.1° |
| CAN | CAL | CAS | HAS | 165.9° | 179.6° |
| CAS | CAL | CAN | NAT | 16.0° | 0.1° |
| CAL | CAS | CAU | CAO | 63.6° | 58.9° |
| CAL | CAS | CAU | CAR | 170.1° | 178.8° |
| CAL | CAS | CAU | HAS | 121.7° | 121.1° |
| CAL | CAS | CAK | HAK | 62.9° | 60.9° |
| CAL | CAS | CAK | HAKA | 177.1° | 178.7° |
| CAS | CAL | HAL | HALA | 120.4° | 120.3° |
| CAS | CAL | CAN | HAN | 136.0° | 120.0° |
| CAS | CAL | CAN | HANA | 104.0° | 119.9° |
| CAM | NAT | CAN | CAO | 123.1° | 124.0° |
| CAM | NAT | CAO | CAU | 66.7° | 61.9° |
| NAT | CAM | CAK | HAK | 128.3° | 119.8° |
| NAT | CAM | CAK | HAKA | 111.7° | 119.8° |
| NAT | CAM | HAM | HAMA | 119.7° | 120.1° |
| CAM | NAT | CAN | HAN | 67.9° | 58.0° |
| CAM | NAT | CAN | HANA | 172.1° | 178.1° |
| CAM | NAT | CAO | HAO | 53.3° | 58.1° |
| CAM | NAT | CAO | HAOA | 173.3° | 178.1° |
| CAN | NAT | CAO | CAU | 55.4° | 62.1° |
| NAT | CAN | CAL | HAL | 136.0° | 119.8° |
| NAT | CAN | CAL | HALA | 104.0° | 119.7° |
| CAN | NAT | CAM | HAM | 172.5° | 178.0° |
| CAN | NAT | CAM | HAMA | 52.5° | 58.0° |
| NAT | CAN | HAN | HANA | 120.7° | 120.1° |
| CAN | NAT | CAO | HAO | 175.4° | 177.9° |
| CAN | NAT | CAO | HAOA | 64.6° | 57.9° |
| NAT | CAO | CAU | HAO | 120.0° | 119.9° |
| NAT | CAO | CAU | HAOA | 120.0° | 119.9° |
| NAT | CAO | CAU | CAR | 136.5° | 119.8° |
| NAT | CAO | CAU | CAS | 10.4° | 0.1° |
| CAO | NAT | CAM | HAM | 64.8° | 58.0° |
| CAO | NAT | CAM | HAMA | 175.2° | 178.0° |
| CAO | NAT | CAN | HAN | 169.0° | 177.9° |
| CAO | NAT | CAN | HANA | 49.0° | 57.9° |
| NAT | CAO | HAO | HAOA | 119.9° | 120.0° |
| CAO | CAU | CAR | CAS | 122.7° | 119.4° |
| CAO | CAU | OAA | HOAA | 180.0° | 60.0° |
| CAU | CAO | HAO | HAOA | 119.9° | 120.1° |
| CAO | CAU | CAS | HAS | 174.7° | 180.0° |
| CAQ | CAP | CAE | HAE | 1.0° | 0.0° |
| CAQ | CAP | CAF | HAF | 0.2° | 0.0° |
| CAP | CAQ | CAG | HAG | 0.6° | 0.2° |
| CAP | CAQ | CAH | HAH | 0.3° | 0.0° |
| CAR | CAU | OAA | HOAA | 57.4° | 60.3° |
| CAU | CAR | CAI | HAI | 1.1° | 0.0° |
| CAU | CAR | CAJ | HAJ | 0.2° | 0.0° |
| CAR | CAU | CAO | HAO | 16.5° | 0.1° |
| CAR | CAU | CAO | HAOA | 103.5° | 120.2° |
| CAR | CAU | CAS | HAS | 48.4° | 60.2° |
| CAS | CAU | OAA | HOAA | 64.5° | 179.3° |
| CAU | CAS | CAK | HAK | 175.9° | 178.8° |
| CAU | CAS | CAK | HAKA | 55.9° | 60.8° |
| CAU | CAS | CAL | HAL | 71.3° | 60.9° |
| CAU | CAS | CAL | HALA | 168.7° | 178.7° |
| CAS | CAU | CAO | HAO | 109.6° | 120.0° |
| CAS | CAU | CAO | HAOA | 130.4° | 119.9° |
| HAB | CAB | CAC | HAC | 0.5° | 0.3° |
| HAB | CAB | CAD | HAD | 1.7° | 0.3° |
| HAC | CAC | CAE | HAE | 1.2° | 0.0° |
| HAD | CAD | CAF | HAF | 1.4° | 0.0° |
| HAG | CAG | CAI | HAI | 0.1° | 0.2° |
| HAH | CAH | CAJ | HAJ | 1.7° | 0.0° |
| HAK | CAK | CAM | HAM | 111.7° | 120.2° |
| HAK | CAK | CAM | HAMA | 8.3° | 0.2° |
| HAK | CAK | CAS | HAS | 58.8° | 59.8° |
| HAKA | CAK | CAM | HAM | 8.3° | 0.2° |
| HAKA | CAK | CAM | HAMA | 128.3° | 120.2° |
| HAKA | CAK | CAS | HAS | 61.3° | 60.6° |
| HAL | CAL | CAN | HAN | 104.0° | 120.2° |
| HAL | CAL | CAN | HANA | 15.9° | 0.1° |
| HAL | CAL | CAS | HAS | 45.9° | 60.6° |
| HALA | CAL | CAN | HAN | 16.1° | 0.2° |
| HALA | CAL | CAN | HANA | 136.0° | 120.3° |
| HALA | CAL | CAS | HAS | 74.1° | 59.8° |
