OJ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAQ | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | CAP | sing | 1.53Å | 1.57Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| O14 | C13 | sing | 1.43Å | 1.41Å | |
| C15 | C13 | sing | 1.51Å | 1.58Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O14 | HO14 | sing | 0.97Å | 0.95Å | |
| OAU | C15 | sing | 1.34Å | 1.35Å | Aromatic |
| C15 | NAS | doub | 1.30Å | 1.31Å | Aromatic |
| CAB | CAD | doub | 1.38Å | 1.42Å | Aromatic |
| CAB | CAE | sing | 1.38Å | 1.42Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | CAF | doub | 1.39Å | 1.45Å | Aromatic |
| CAC | CAG | sing | 1.38Å | 1.42Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | CAH | sing | 1.38Å | 1.43Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | CAI | doub | 1.38Å | 1.42Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | CAJ | sing | 1.38Å | 1.45Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | NAR | doub | 1.32Å | 1.33Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAV | doub | 1.39Å | 1.41Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAV | sing | 1.39Å | 1.42Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAZ | doub | 1.40Å | 1.41Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAL | doub | 1.38Å | 1.44Å | Aromatic |
| CAK | CAW | sing | 1.39Å | 1.45Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAX | sing | 1.39Å | 1.44Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CBA | CAM | doub | 1.36Å | 1.34Å | Aromatic |
| CAM | NAS | sing | 1.34Å | 1.35Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAW | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CAN | CAY | sing | 1.39Å | 1.41Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAY | CAO | sing | 1.51Å | 1.53Å | |
| CAP | CAO | sing | 1.53Å | 1.53Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAX | CAQ | sing | 1.51Å | 1.52Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| NAR | CAZ | sing | 1.33Å | 1.40Å | Aromatic |
| CAV | OAT | sing | 1.36Å | 1.34Å | |
| OAT | CAW | sing | 1.36Å | 1.38Å | |
| OAU | CBA | sing | 1.35Å | 1.37Å | Aromatic |
| CAX | CAY | doub | 1.38Å | 1.44Å | Aromatic |
| CAZ | CBA | sing | 1.48Å | 1.41Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | C12 | C13 | 111.3° | 109.7° |
| CAQ | C12 | CAP | 107.5° | 108.3° |
| CAQ | C12 | H12 | 109.9° | 109.7° |
| C12 | CAQ | CAX | 112.7° | 110.6° |
| C12 | CAQ | HAQ | 108.4° | 109.3° |
| C12 | CAQ | HAQA | 108.4° | 109.2° |
| C13 | C12 | CAP | 110.4° | 109.6° |
| C13 | C12 | H12 | 106.9° | 109.7° |
| C12 | C13 | O14 | 110.7° | 109.5° |
| C12 | C13 | C15 | 115.8° | 109.4° |
| C12 | C13 | H13 | 102.6° | 109.5° |
| CAP | C12 | H12 | 110.8° | 109.7° |
| C12 | CAP | CAO | 108.9° | 108.4° |
| C12 | CAP | HAP | 109.7° | 109.7° |
| C12 | CAP | HAPA | 109.7° | 109.8° |
| O14 | C13 | C15 | 103.8° | 109.5° |
| O14 | C13 | H13 | 114.8° | 109.5° |
| C13 | O14 | HO14 | 109.5° | 114.0° |
| C15 | C13 | H13 | 109.6° | 109.4° |
| C13 | C15 | OAU | 122.4° | 125.5° |
| C13 | C15 | NAS | 128.3° | 125.5° |
| OAU | C15 | NAS | 109.3° | 109.0° |
| C15 | OAU | CBA | 105.4° | 107.7° |
| C15 | NAS | CAM | 109.6° | 108.9° |
| CAD | CAB | CAE | 122.2° | 120.1° |
| CAD | CAB | HAB | 118.9° | 119.9° |
| CAB | CAD | CAH | 116.9° | 120.0° |
| CAB | CAD | HAD | 121.6° | 120.0° |
| CAE | CAB | HAB | 118.9° | 119.9° |
| CAB | CAE | CAI | 120.8° | 120.1° |
| CAB | CAE | HAE | 119.6° | 120.0° |
| CAF | CAC | CAG | 120.2° | 119.4° |
| CAF | CAC | HAC | 119.9° | 120.2° |
| CAC | CAF | CAJ | 119.4° | 118.5° |
| CAC | CAF | HAF | 120.3° | 120.8° |
| CAG | CAC | HAC | 119.9° | 120.4° |
| CAC | CAG | NAR | 119.1° | 120.9° |
| CAC | CAG | HAG | 120.5° | 119.5° |
| CAH | CAD | HAD | 121.6° | 120.0° |
| CAD | CAH | CAV | 121.1° | 120.0° |
| CAD | CAH | HAH | 119.5° | 120.0° |
| CAI | CAE | HAE | 119.6° | 120.0° |
| CAE | CAI | CAV | 117.1° | 119.9° |
| CAE | CAI | HAI | 121.4° | 120.0° |
| CAJ | CAF | HAF | 120.3° | 120.7° |
| CAF | CAJ | CAZ | 116.6° | 119.0° |
| CAF | CAJ | HAJ | 121.7° | 120.5° |
| NAR | CAG | HAG | 120.5° | 119.5° |
| CAG | NAR | CAZ | 123.1° | 121.6° |
| CAV | CAH | HAH | 119.5° | 120.0° |
| CAH | CAV | CAI | 121.9° | 119.9° |
| CAH | CAV | OAT | 116.7° | 120.1° |
| CAV | CAI | HAI | 121.4° | 120.0° |
| CAI | CAV | OAT | 121.4° | 120.1° |
| CAZ | CAJ | HAJ | 121.7° | 120.5° |
| CAJ | CAZ | NAR | 121.6° | 120.5° |
| CAJ | CAZ | CBA | 119.8° | 119.7° |
| CAL | CAK | CAW | 120.3° | 119.8° |
| CAL | CAK | HAK | 119.9° | 120.1° |
| CAK | CAL | CAX | 116.3° | 120.6° |
| CAK | CAL | HAL | 121.8° | 119.7° |
| CAW | CAK | HAK | 119.8° | 120.1° |
| CAK | CAW | CAN | 123.1° | 119.6° |
| CAK | CAW | OAT | 118.0° | 120.2° |
| CAX | CAL | HAL | 121.9° | 119.7° |
| CAL | CAX | CAQ | 118.0° | 117.7° |
| CAL | CAX | CAY | 121.3° | 119.8° |
| CBA | CAM | NAS | 106.3° | 107.5° |
| CBA | CAM | HAM | 126.8° | 126.2° |
| CAM | CBA | OAU | 109.2° | 106.8° |
| CAM | CBA | CAZ | 129.1° | 126.6° |
| NAS | CAM | HAM | 126.9° | 126.3° |
| CAW | CAN | CAY | 116.9° | 120.5° |
| CAW | CAN | HAN | 121.5° | 119.8° |
| CAN | CAW | OAT | 118.8° | 120.2° |
| CAY | CAN | HAN | 121.5° | 119.8° |
| CAN | CAY | CAO | 116.1° | 117.7° |
| CAN | CAY | CAX | 122.0° | 119.8° |
| CAY | CAO | CAP | 110.8° | 110.6° |
| CAY | CAO | HAO | 109.0° | 109.2° |
| CAY | CAO | HAOA | 109.0° | 109.2° |
| CAO | CAY | CAX | 121.9° | 122.5° |
| CAP | CAO | HAO | 109.0° | 109.3° |
| CAP | CAO | HAOA | 109.0° | 109.3° |
| CAO | CAP | HAP | 109.7° | 109.6° |
| CAO | CAP | HAPA | 109.6° | 109.7° |
| HAO | CAO | HAOA | 110.0° | 109.2° |
| HAP | CAP | HAPA | 109.2° | 109.7° |
| CAX | CAQ | HAQ | 108.4° | 109.2° |
| CAX | CAQ | HAQA | 108.4° | 109.2° |
| CAQ | CAX | CAY | 120.7° | 122.5° |
| HAQ | CAQ | HAQA | 110.5° | 109.3° |
| NAR | CAZ | CBA | 118.6° | 119.8° |
| CAV | OAT | CAW | 126.1° | 118.0° |
| OAU | CBA | CAZ | 121.7° | 126.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAQ | C12 | C13 | CAP | 119.3° | 118.9° |
| CAQ | C12 | C13 | H12 | 120.1° | 120.6° |
| CAQ | C12 | CAP | H12 | 120.1° | 119.8° |
| CAQ | C12 | C13 | O14 | 64.1° | 58.9° |
| CAQ | C12 | C13 | C15 | 53.7° | 61.1° |
| CAQ | C12 | C13 | H13 | 173.0° | 178.9° |
| C12 | CAQ | CAX | CAL | 160.3° | 162.2° |
| CAQ | C12 | CAP | CAO | 70.4° | 69.9° |
| CAQ | C12 | CAP | HAP | 169.6° | 170.4° |
| CAQ | C12 | CAP | HAPA | 49.6° | 49.9° |
| C12 | CAQ | CAX | HAQ | 120.0° | 120.3° |
| C12 | CAQ | CAX | HAQA | 120.0° | 120.2° |
| C12 | CAQ | HAQ | HAQA | 118.7° | 119.4° |
| C12 | CAQ | CAX | CAY | 18.3° | 18.0° |
| C13 | C12 | CAP | H12 | 118.3° | 120.5° |
| C12 | C13 | O14 | C15 | 124.9° | 120.0° |
| C12 | C13 | O14 | H13 | 115.5° | 120.0° |
| C12 | C13 | C15 | H13 | 115.4° | 119.9° |
| C12 | C13 | O14 | HO14 | 180.0° | 60.0° |
| C12 | C13 | C15 | OAU | 54.9° | 105.3° |
| C12 | C13 | C15 | NAS | 124.3° | 75.1° |
| C13 | C12 | CAP | CAO | 168.0° | 170.4° |
| C13 | C12 | CAP | HAP | 48.0° | 50.7° |
| C13 | C12 | CAP | HAPA | 72.0° | 69.8° |
| C13 | C12 | CAQ | CAX | 172.7° | 170.9° |
| C13 | C12 | CAQ | HAQ | 52.7° | 50.6° |
| C13 | C12 | CAQ | HAQA | 67.3° | 68.9° |
| CAP | C12 | C13 | O14 | 55.2° | 60.0° |
| CAP | C12 | C13 | C15 | 173.0° | 180.0° |
| CAP | C12 | C13 | H13 | 67.7° | 60.1° |
| C12 | CAP | CAO | CAY | 51.5° | 51.1° |
| C12 | CAP | CAO | HAP | 120.0° | 119.7° |
| C12 | CAP | CAO | HAPA | 120.0° | 119.8° |
| C12 | CAP | CAO | HAO | 171.5° | 69.2° |
| C12 | CAP | CAO | HAOA | 68.5° | 171.3° |
| C12 | CAP | HAP | HAPA | 120.3° | 120.6° |
| CAP | C12 | CAQ | CAX | 51.6° | 51.2° |
| CAP | C12 | CAQ | HAQ | 68.4° | 69.1° |
| CAP | C12 | CAQ | HAQA | 171.7° | 171.5° |
| H12 | C12 | C13 | O14 | 175.9° | 179.5° |
| H12 | C12 | C13 | C15 | 66.3° | 59.5° |
| H12 | C12 | C13 | H13 | 52.9° | 60.5° |
| H12 | C12 | CAP | CAO | 49.7° | 49.9° |
| H12 | C12 | CAP | HAP | 70.3° | 69.8° |
| H12 | C12 | CAP | HAPA | 169.7° | 169.6° |
| H12 | C12 | CAQ | CAX | 69.1° | 68.5° |
| H12 | C12 | CAQ | HAQ | 170.9° | 171.2° |
| H12 | C12 | CAQ | HAQA | 50.9° | 51.7° |
| O14 | C13 | C15 | H13 | 123.1° | 120.0° |
| O14 | C13 | C15 | OAU | 66.7° | 134.7° |
| O14 | C13 | C15 | NAS | 114.2° | 45.0° |
| C15 | C13 | O14 | HO14 | 55.1° | 60.0° |
| C13 | C15 | OAU | NAS | 179.3° | 179.7° |
| C13 | C15 | NAS | CAM | 177.4° | 180.0° |
| C13 | C15 | OAU | CBA | 179.6° | 180.0° |
| H13 | C13 | O14 | HO14 | 64.5° | 179.9° |
| H13 | C13 | C15 | OAU | 170.2° | 14.7° |
| H13 | C13 | C15 | NAS | 8.9° | 164.9° |
| C15 | OAU | CBA | CAM | 1.6° | 0.2° |
| OAU | C15 | NAS | CAM | 3.4° | 0.3° |
| C15 | OAU | CBA | CAZ | 179.6° | 180.0° |
| C15 | NAS | CAM | CBA | 4.3° | 0.1° |
| C15 | NAS | CAM | HAM | 175.7° | 179.9° |
| NAS | C15 | OAU | CBA | 1.1° | 0.3° |
| CAD | CAB | CAE | HAB | 180.0° | 179.7° |
| CAB | CAD | CAH | HAD | 180.0° | 180.0° |
| CAD | CAB | CAE | CAI | 0.4° | 0.1° |
| CAD | CAB | CAE | HAE | 179.6° | 180.0° |
| CAB | CAD | CAH | CAV | 0.4° | 0.0° |
| CAB | CAD | CAH | HAH | 179.6° | 180.0° |
| CAE | CAB | CAD | CAH | 0.1° | 0.0° |
| CAE | CAB | CAD | HAD | 179.9° | 180.0° |
| CAB | CAE | CAI | HAE | 180.0° | 179.9° |
| CAB | CAE | CAI | CAV | 0.8° | 0.1° |
| CAB | CAE | CAI | HAI | 179.1° | 180.0° |
| HAB | CAB | CAD | CAH | 179.9° | 179.7° |
| HAB | CAB | CAD | HAD | 0.1° | 0.3° |
| HAB | CAB | CAE | CAI | 179.7° | 179.7° |
| HAB | CAB | CAE | HAE | 0.4° | 0.3° |
| CAF | CAC | CAG | HAC | 180.0° | 179.8° |
| CAC | CAF | CAJ | HAF | 180.0° | 179.9° |
| CAF | CAC | CAG | NAR | 3.1° | 0.1° |
| CAF | CAC | CAG | HAG | 176.9° | 180.0° |
| CAC | CAF | CAJ | CAZ | 2.4° | 0.0° |
| CAC | CAF | CAJ | HAJ | 177.7° | 180.0° |
| CAG | CAC | CAF | CAJ | 2.8° | 0.1° |
| CAG | CAC | CAF | HAF | 177.2° | 180.0° |
| CAC | CAG | NAR | HAG | 180.0° | 179.9° |
| CAC | CAG | NAR | CAZ | 3.0° | 0.0° |
| HAC | CAC | CAF | CAJ | 177.1° | 179.8° |
| HAC | CAC | CAF | HAF | 2.8° | 0.2° |
| HAC | CAC | CAG | NAR | 176.9° | 179.8° |
| HAC | CAC | CAG | HAG | 3.1° | 0.2° |
| CAD | CAH | CAV | HAH | 180.0° | 180.0° |
| CAD | CAH | CAV | CAI | 0.9° | 0.1° |
| CAD | CAH | CAV | OAT | 177.7° | 180.0° |
| HAD | CAD | CAH | CAV | 179.6° | 180.0° |
| HAD | CAD | CAH | HAH | 0.4° | 0.0° |
| CAE | CAI | CAV | CAH | 1.1° | 0.1° |
| CAE | CAI | CAV | HAI | 180.0° | 179.9° |
| CAE | CAI | CAV | OAT | 177.5° | 180.0° |
| HAE | CAE | CAI | CAV | 179.1° | 180.0° |
| HAE | CAE | CAI | HAI | 0.9° | 0.0° |
| CAF | CAJ | CAZ | HAJ | 180.0° | 179.9° |
| CAF | CAJ | CAZ | NAR | 2.2° | 0.0° |
| CAF | CAJ | CAZ | CBA | 177.2° | 180.0° |
| HAF | CAF | CAJ | CAZ | 177.6° | 180.0° |
| HAF | CAF | CAJ | HAJ | 2.3° | 0.1° |
| CAG | NAR | CAZ | CAJ | 2.7° | 0.0° |
| CAG | NAR | CAZ | CBA | 176.8° | 180.0° |
| HAG | CAG | NAR | CAZ | 177.0° | 180.0° |
| CAH | CAV | CAI | OAT | 178.6° | 179.9° |
| CAH | CAV | CAI | HAI | 178.9° | 180.0° |
| CAH | CAV | OAT | CAW | 50.4° | 6.2° |
| HAH | CAH | CAV | CAI | 179.1° | 179.9° |
| HAH | CAH | CAV | OAT | 2.3° | 0.0° |
| CAI | CAV | OAT | CAW | 130.9° | 173.9° |
| HAI | CAI | CAV | OAT | 2.6° | 0.1° |
| CAJ | CAZ | CBA | CAM | 162.8° | 4.8° |
| CAJ | CAZ | NAR | CBA | 179.5° | 180.0° |
| CAJ | CAZ | CBA | OAU | 19.7° | 175.0° |
| HAJ | CAJ | CAZ | NAR | 177.8° | 179.9° |
| HAJ | CAJ | CAZ | CBA | 2.7° | 0.1° |
| CAL | CAK | CAW | HAK | 180.0° | 180.0° |
| CAK | CAL | CAX | HAL | 180.0° | 179.9° |
| CAL | CAK | CAW | CAN | 2.1° | 0.2° |
| CAK | CAL | CAX | CAQ | 179.5° | 179.7° |
| CAL | CAK | CAW | OAT | 179.9° | 179.8° |
| CAK | CAL | CAX | CAY | 1.0° | 0.1° |
| CAW | CAK | CAL | CAX | 0.7° | 0.1° |
| CAW | CAK | CAL | HAL | 179.3° | 179.9° |
| CAK | CAW | CAN | OAT | 177.9° | 180.0° |
| CAK | CAW | CAN | CAY | 1.5° | 0.0° |
| CAK | CAW | CAN | HAN | 178.5° | 179.9° |
| CAK | CAW | OAT | CAV | 39.0° | 67.4° |
| HAK | CAK | CAL | CAX | 179.3° | 179.9° |
| HAK | CAK | CAL | HAL | 0.8° | 0.1° |
| HAK | CAK | CAW | CAN | 177.9° | 179.8° |
| HAK | CAK | CAW | OAT | 0.0° | 0.2° |
| CAL | CAX | CAY | CAN | 1.6° | 0.3° |
| CAL | CAX | CAY | CAO | 178.4° | 179.3° |
| CAL | CAX | CAQ | CAY | 178.5° | 179.9° |
| CAL | CAX | CAQ | HAQ | 79.7° | 77.5° |
| CAL | CAX | CAQ | HAQA | 40.2° | 42.0° |
| HAL | CAL | CAX | CAQ | 0.5° | 0.3° |
| HAL | CAL | CAX | CAY | 179.0° | 179.8° |
| CBA | CAM | NAS | HAM | 180.0° | 180.0° |
| CAM | CBA | CAZ | NAR | 17.7° | 175.2° |
| CAM | CBA | OAU | CAZ | 178.0° | 179.8° |
| NAS | CAM | CBA | OAU | 3.6° | 0.1° |
| NAS | CAM | CBA | CAZ | 178.6° | 179.9° |
| HAM | CAM | CBA | OAU | 176.4° | 179.9° |
| HAM | CAM | CBA | CAZ | 1.4° | 0.1° |
| CAW | CAN | CAY | HAN | 180.0° | 179.9° |
| CAW | CAN | CAY | CAO | 179.6° | 179.4° |
| CAN | CAW | OAT | CAV | 143.0° | 112.6° |
| CAW | CAN | CAY | CAX | 0.3° | 0.3° |
| CAN | CAY | CAO | CAX | 180.0° | 179.6° |
| CAN | CAY | CAO | CAP | 162.5° | 162.6° |
| CAN | CAY | CAO | HAO | 42.5° | 77.1° |
| CAN | CAY | CAO | HAOA | 77.5° | 42.3° |
| CAN | CAY | CAX | CAQ | 179.9° | 179.5° |
| CAY | CAN | CAW | OAT | 179.4° | 180.0° |
| HAN | CAN | CAY | CAO | 0.3° | 0.7° |
| HAN | CAN | CAW | OAT | 0.6° | 0.1° |
| HAN | CAN | CAY | CAX | 179.7° | 179.6° |
| CAY | CAO | CAP | HAO | 120.0° | 120.3° |
| CAY | CAO | CAP | HAOA | 120.0° | 120.2° |
| CAY | CAO | HAO | HAOA | 119.5° | 119.3° |
| CAY | CAO | CAP | HAP | 171.5° | 170.8° |
| CAY | CAO | CAP | HAPA | 68.5° | 68.7° |
| CAO | CAY | CAX | CAQ | 0.1° | 0.9° |
| CAP | CAO | HAO | HAOA | 119.4° | 119.6° |
| CAO | CAP | HAP | HAPA | 120.2° | 120.5° |
| CAP | CAO | CAY | CAX | 17.5° | 17.8° |
| HAO | CAO | CAP | HAP | 68.5° | 50.5° |
| HAO | CAO | CAP | HAPA | 51.4° | 171.0° |
| HAO | CAO | CAY | CAX | 137.5° | 102.5° |
| HAOA | CAO | CAP | HAP | 51.5° | 69.0° |
| HAOA | CAO | CAP | HAPA | 171.5° | 51.5° |
| HAOA | CAO | CAY | CAX | 102.5° | 138.1° |
| CAX | CAQ | HAQ | HAQA | 118.7° | 119.5° |
| HAQ | CAQ | CAX | CAY | 101.8° | 102.3° |
| HAQA | CAQ | CAX | CAY | 138.3° | 138.2° |
| NAR | CAZ | CBA | OAU | 159.8° | 5.0° |
