OSA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | doub | 1.36Å | 1.40Å | Aromatic |
| CAA | CAF | sing | 1.40Å | 1.41Å | Aromatic |
| CAB | CAC | sing | 1.41Å | 1.41Å | Aromatic |
| CAC | CAD | doub | 1.42Å | 1.40Å | Aromatic |
| CAC | CAK | sing | 1.41Å | 1.39Å | Aromatic |
| CAD | CAE | sing | 1.40Å | 1.41Å | Aromatic |
| CAD | CAH | sing | 1.41Å | 1.39Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | NAG | sing | 1.39Å | 1.33Å | |
| CAH | CAI | doub | 1.35Å | 1.38Å | Aromatic |
| CAI | CAJ | sing | 1.41Å | 1.40Å | Aromatic |
| CAI | SBD | sing | 1.76Å | 1.73Å | |
| CAJ | CAK | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | NAM | sing | 1.36Å | 1.35Å | |
| CAK | OAL | sing | 1.36Å | 1.35Å | |
| NAM | NAN | doub | 1.29Å | 1.23Å | |
| NAN | CAO | sing | 1.37Å | 1.33Å | |
| CAO | CAP | doub | 1.41Å | 1.39Å | Aromatic |
| CAO | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAP | CAQ | sing | 1.36Å | 1.39Å | Aromatic |
| CAQ | CAR | doub | 1.41Å | 1.40Å | Aromatic |
| CAR | CAS | sing | 1.42Å | 1.40Å | Aromatic |
| CAR | CAX | sing | 1.41Å | 1.42Å | Aromatic |
| CAS | CAT | doub | 1.40Å | 1.40Å | Aromatic |
| CAS | CAU | sing | 1.41Å | 1.37Å | Aromatic |
| CAU | CAV | doub | 1.36Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.39Å | 1.40Å | Aromatic |
| CAV | SAZ | sing | 1.76Å | 1.76Å | |
| CAW | CAX | doub | 1.38Å | 1.41Å | Aromatic |
| CAX | OAY | sing | 1.36Å | 1.38Å | |
| SAZ | OBA | sing | 1.52Å | 1.52Å | |
| SAZ | OBB | doub | 1.42Å | 1.52Å | |
| SAZ | OBC | doub | 1.42Å | 1.52Å | |
| SBD | OBE | doub | 1.42Å | 1.50Å | |
| SBD | OBF | sing | 1.52Å | 1.51Å | |
| SBD | OBG | doub | 1.42Å | 1.50Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| NAG | HNAG | sing | 0.97Å | 1.00Å | |
| NAG | HNAA | sing | 0.97Å | 1.00Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| OAL | HOAL | sing | 0.97Å | 0.95Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| OAY | HOAY | sing | 0.97Å | 0.95Å | |
| OBA | HOBA | sing | 0.97Å | 0.95Å | |
| OBF | HOBF | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAF | 119.7° | 120.8° |
| CAA | CAB | CAC | 119.8° | 119.9° |
| CAB | CAA | HAA | 120.1° | 119.6° |
| CAA | CAB | HAB | 120.1° | 120.0° |
| CAA | CAF | CAE | 121.1° | 120.7° |
| CAA | CAF | NAG | 120.7° | 119.6° |
| CAF | CAA | HAA | 120.2° | 119.6° |
| CAB | CAC | CAD | 119.8° | 119.6° |
| CAB | CAC | CAK | 120.9° | 120.9° |
| CAC | CAB | HAB | 120.1° | 120.0° |
| CAD | CAC | CAK | 119.3° | 119.4° |
| CAC | CAD | CAE | 121.1° | 119.4° |
| CAC | CAD | CAH | 119.6° | 119.7° |
| CAC | CAK | CAJ | 120.9° | 119.3° |
| CAC | CAK | OAL | 117.7° | 120.3° |
| CAE | CAD | CAH | 119.2° | 120.9° |
| CAD | CAE | CAF | 118.4° | 119.6° |
| CAD | CAE | HAE | 120.8° | 120.2° |
| CAD | CAH | CAI | 120.8° | 120.3° |
| CAD | CAH | HAH | 119.6° | 119.8° |
| CAE | CAF | NAG | 118.2° | 119.7° |
| CAF | CAE | HAE | 120.8° | 120.2° |
| CAF | NAG | HNAG | 109.5° | 120.0° |
| CAF | NAG | HNAA | 109.5° | 120.0° |
| CAH | CAI | CAJ | 120.8° | 120.9° |
| CAH | CAI | SBD | 115.4° | 119.6° |
| CAI | CAH | HAH | 119.6° | 119.9° |
| CAJ | CAI | SBD | 123.8° | 119.6° |
| CAI | CAJ | CAK | 118.6° | 120.4° |
| CAI | CAJ | NAM | 119.1° | 119.8° |
| CAI | SBD | OBE | 106.0° | 106.4° |
| CAI | SBD | OBF | 106.7° | 107.2° |
| CAI | SBD | OBG | 116.7° | 106.4° |
| CAK | CAJ | NAM | 122.2° | 119.8° |
| CAJ | CAK | OAL | 121.4° | 120.4° |
| CAJ | NAM | NAN | 119.7° | 120.0° |
| CAK | OAL | HOAL | 109.5° | 114.0° |
| NAM | NAN | CAO | 125.4° | 120.0° |
| NAN | CAO | CAP | 118.7° | 119.8° |
| NAN | CAO | CAT | 122.0° | 119.8° |
| CAP | CAO | CAT | 119.3° | 120.4° |
| CAO | CAP | CAQ | 120.7° | 120.8° |
| CAO | CAP | HAP | 119.7° | 119.6° |
| CAO | CAT | CAS | 119.7° | 119.4° |
| CAO | CAT | HAT | 120.1° | 120.2° |
| CAP | CAQ | CAR | 120.9° | 120.1° |
| CAQ | CAP | HAP | 119.6° | 119.6° |
| CAP | CAQ | HAQ | 119.6° | 119.9° |
| CAQ | CAR | CAS | 117.8° | 119.7° |
| CAQ | CAR | CAX | 121.9° | 121.0° |
| CAR | CAQ | HAQ | 119.5° | 120.0° |
| CAS | CAR | CAX | 120.3° | 119.3° |
| CAR | CAS | CAT | 121.7° | 119.5° |
| CAR | CAS | CAU | 119.5° | 119.5° |
| CAR | CAX | CAW | 119.7° | 119.5° |
| CAR | CAX | OAY | 121.1° | 120.3° |
| CAT | CAS | CAU | 118.8° | 121.0° |
| CAS | CAT | HAT | 120.2° | 120.3° |
| CAS | CAU | CAV | 120.8° | 119.9° |
| CAS | CAU | HAU | 119.6° | 120.1° |
| CAU | CAV | CAW | 121.0° | 121.1° |
| CAU | CAV | SAZ | 116.0° | 119.5° |
| CAV | CAU | HAU | 119.6° | 120.1° |
| CAW | CAV | SAZ | 123.0° | 119.5° |
| CAV | CAW | CAX | 118.7° | 120.8° |
| CAV | CAW | HAW | 120.6° | 119.6° |
| CAV | SAZ | OBA | 109.9° | 107.3° |
| CAV | SAZ | OBB | 112.2° | 106.4° |
| CAV | SAZ | OBC | 108.1° | 106.4° |
| CAW | CAX | OAY | 119.2° | 120.3° |
| CAX | CAW | HAW | 120.7° | 119.6° |
| CAX | OAY | HOAY | 109.5° | 113.9° |
| OBA | SAZ | OBB | 110.8° | 106.4° |
| OBA | SAZ | OBC | 110.5° | 106.4° |
| SAZ | OBA | HOBA | 109.5° | 114.0° |
| OBB | SAZ | OBC | 105.1° | 123.2° |
| OBE | SBD | OBF | 116.3° | 106.4° |
| OBE | SBD | OBG | 104.2° | 123.2° |
| OBF | SBD | OBG | 107.4° | 106.4° |
| SBD | OBF | HOBF | 109.5° | 114.0° |
| HNAG | NAG | HNAA | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAF | HAA | 180.0° | 179.7° |
| CAA | CAB | CAC | HAB | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 1.2° | 0.0° |
| CAA | CAB | CAC | CAK | 179.9° | 179.9° |
| CAB | CAA | CAF | CAE | 0.4° | 0.1° |
| CAB | CAA | CAF | NAG | 179.7° | 180.0° |
| CAF | CAA | CAB | CAC | 0.2° | 0.0° |
| CAA | CAF | CAE | CAD | 0.1° | 0.0° |
| CAA | CAF | CAE | NAG | 179.4° | 180.0° |
| CAF | CAA | CAB | HAB | 179.8° | 180.0° |
| CAA | CAF | CAE | HAE | 179.9° | 180.0° |
| CAA | CAF | NAG | HNAG | 180.0° | 0.0° |
| CAA | CAF | NAG | HNAA | 60.0° | 179.9° |
| CAB | CAC | CAD | CAK | 179.0° | 179.9° |
| CAB | CAC | CAD | CAE | 1.5° | 0.1° |
| CAB | CAC | CAD | CAH | 178.4° | 179.9° |
| CAB | CAC | CAK | CAJ | 179.2° | 179.9° |
| CAB | CAC | CAK | OAL | 1.0° | 0.1° |
| CAC | CAB | CAA | HAA | 179.8° | 179.7° |
| CAC | CAD | CAE | CAH | 179.9° | 180.0° |
| CAC | CAD | CAE | CAF | 0.9° | 0.0° |
| CAC | CAD | CAH | CAI | 0.1° | 0.1° |
| CAD | CAC | CAK | CAJ | 0.3° | 0.1° |
| CAD | CAC | CAK | OAL | 180.0° | 180.0° |
| CAD | CAC | CAB | HAB | 178.8° | 180.0° |
| CAC | CAD | CAE | HAE | 179.1° | 179.9° |
| CAC | CAD | CAH | HAH | 179.9° | 180.0° |
| CAK | CAC | CAD | CAE | 179.5° | 180.0° |
| CAK | CAC | CAD | CAH | 0.6° | 0.1° |
| CAC | CAK | CAJ | CAI | 1.8° | 0.0° |
| CAC | CAK | CAJ | OAL | 179.8° | 179.9° |
| CAC | CAK | CAJ | NAM | 179.0° | 180.0° |
| CAK | CAC | CAB | HAB | 0.1° | 0.1° |
| CAC | CAK | OAL | HOAL | 180.0° | 90.0° |
| CAD | CAE | CAF | HAE | 180.0° | 180.0° |
| CAD | CAE | CAF | NAG | 179.4° | 180.0° |
| CAE | CAD | CAH | CAI | 179.8° | 180.0° |
| CAE | CAD | CAH | HAH | 0.2° | 0.0° |
| CAH | CAD | CAE | CAF | 179.0° | 180.0° |
| CAD | CAH | CAI | HAH | 180.0° | 180.0° |
| CAD | CAH | CAI | CAJ | 1.6° | 0.0° |
| CAD | CAH | CAI | SBD | 178.8° | 180.0° |
| CAH | CAD | CAE | HAE | 1.0° | 0.0° |
| CAE | CAF | CAA | HAA | 179.6° | 179.7° |
| CAE | CAF | NAG | HNAG | 0.7° | 180.0° |
| CAE | CAF | NAG | HNAA | 119.3° | 0.1° |
| NAG | CAF | CAA | HAA | 0.2° | 0.3° |
| NAG | CAF | CAE | HAE | 0.6° | 0.0° |
| CAF | NAG | HNAG | HNAA | 120.0° | 179.9° |
| CAH | CAI | CAJ | SBD | 176.9° | 180.0° |
| CAH | CAI | CAJ | CAK | 2.4° | 0.0° |
| CAH | CAI | CAJ | NAM | 179.7° | 180.0° |
| CAH | CAI | SBD | OBE | 5.0° | 83.6° |
| CAH | CAI | SBD | OBF | 129.5° | 30.0° |
| CAH | CAI | SBD | OBG | 110.4° | 143.5° |
| CAI | CAJ | CAK | NAM | 177.2° | 180.0° |
| CAI | CAJ | CAK | OAL | 178.5° | 180.0° |
| CAI | CAJ | NAM | NAN | 160.6° | 180.0° |
| CAJ | CAI | SBD | OBE | 172.1° | 96.4° |
| CAJ | CAI | SBD | OBF | 47.6° | 150.0° |
| CAJ | CAI | SBD | OBG | 72.5° | 36.5° |
| CAJ | CAI | CAH | HAH | 178.4° | 180.0° |
| SBD | CAI | CAJ | CAK | 179.4° | 180.0° |
| SBD | CAI | CAJ | NAM | 3.3° | 0.0° |
| CAI | SBD | OBE | OBF | 118.4° | 114.1° |
| CAI | SBD | OBE | OBG | 123.6° | 122.9° |
| CAI | SBD | OBF | OBG | 125.8° | 113.6° |
| SBD | CAI | CAH | HAH | 1.2° | 0.0° |
| CAI | SBD | OBF | HOBF | 125.8° | 180.0° |
| CAK | CAJ | NAM | NAN | 16.6° | 0.0° |
| CAJ | CAK | OAL | HOAL | 0.3° | 90.0° |
| NAM | CAJ | CAK | OAL | 1.3° | 0.0° |
| CAJ | NAM | NAN | CAO | 175.2° | 180.0° |
| NAM | NAN | CAO | CAP | 176.0° | 0.0° |
| NAM | NAN | CAO | CAT | 2.5° | 179.7° |
| NAN | CAO | CAP | CAT | 178.6° | 179.7° |
| NAN | CAO | CAP | CAQ | 178.6° | 180.0° |
| NAN | CAO | CAT | CAS | 179.0° | 179.7° |
| NAN | CAO | CAP | HAP | 1.4° | 0.0° |
| NAN | CAO | CAT | HAT | 1.0° | 0.0° |
| CAO | CAP | CAQ | HAP | 180.0° | 179.9° |
| CAO | CAP | CAQ | CAR | 0.0° | 0.0° |
| CAP | CAO | CAT | CAS | 0.4° | 0.6° |
| CAO | CAP | CAQ | HAQ | 180.0° | 180.0° |
| CAP | CAO | CAT | HAT | 179.5° | 179.7° |
| CAT | CAO | CAP | CAQ | 0.0° | 0.3° |
| CAO | CAT | CAS | CAR | 0.8° | 0.5° |
| CAO | CAT | CAS | HAT | 180.0° | 179.7° |
| CAO | CAT | CAS | CAU | 179.9° | 179.7° |
| CAT | CAO | CAP | HAP | 180.0° | 179.7° |
| CAP | CAQ | CAR | HAQ | 180.0° | 180.0° |
| CAP | CAQ | CAR | CAS | 0.3° | 0.0° |
| CAP | CAQ | CAR | CAX | 180.0° | 180.0° |
| CAQ | CAR | CAS | CAX | 179.7° | 180.0° |
| CAQ | CAR | CAS | CAT | 0.7° | 0.3° |
| CAQ | CAR | CAS | CAU | 180.0° | 180.0° |
| CAQ | CAR | CAX | CAW | 179.7° | 180.0° |
| CAQ | CAR | CAX | OAY | 1.0° | 0.0° |
| CAR | CAQ | CAP | HAP | 180.0° | 180.0° |
| CAR | CAS | CAT | CAU | 179.3° | 179.8° |
| CAR | CAS | CAU | CAV | 0.0° | 0.0° |
| CAS | CAR | CAX | CAW | 0.0° | 0.0° |
| CAS | CAR | CAX | OAY | 178.7° | 179.9° |
| CAS | CAR | CAQ | HAQ | 179.7° | 180.0° |
| CAR | CAS | CAT | HAT | 179.2° | 179.7° |
| CAR | CAS | CAU | HAU | 180.0° | 180.0° |
| CAX | CAR | CAS | CAT | 179.6° | 179.8° |
| CAX | CAR | CAS | CAU | 0.3° | 0.0° |
| CAR | CAX | CAW | CAV | 0.5° | 0.0° |
| CAR | CAX | CAW | OAY | 178.8° | 179.9° |
| CAX | CAR | CAQ | HAQ | 0.0° | 0.0° |
| CAR | CAX | CAW | HAW | 179.5° | 179.9° |
| CAR | CAX | OAY | HOAY | 180.0° | 90.0° |
| CAT | CAS | CAU | CAV | 179.3° | 179.7° |
| CAT | CAS | CAU | HAU | 0.7° | 0.2° |
| CAS | CAU | CAV | HAU | 180.0° | 179.9° |
| CAS | CAU | CAV | CAW | 0.6° | 0.1° |
| CAS | CAU | CAV | SAZ | 180.0° | 180.0° |
| CAU | CAS | CAT | HAT | 0.1° | 0.0° |
| CAU | CAV | CAW | SAZ | 179.3° | 179.9° |
| CAU | CAV | CAW | CAX | 0.8° | 0.1° |
| CAU | CAV | SAZ | OBA | 169.7° | 90.0° |
| CAU | CAV | SAZ | OBB | 45.9° | 156.5° |
| CAU | CAV | SAZ | OBC | 69.6° | 23.6° |
| CAU | CAV | CAW | HAW | 179.2° | 179.9° |
| CAV | CAW | CAX | HAW | 180.0° | 179.9° |
| CAV | CAW | CAX | OAY | 179.3° | 180.0° |
| CAW | CAV | SAZ | OBA | 10.9° | 90.0° |
| CAW | CAV | SAZ | OBB | 134.7° | 23.6° |
| CAW | CAV | SAZ | OBC | 109.8° | 156.5° |
| CAW | CAV | CAU | HAU | 179.4° | 180.0° |
| SAZ | CAV | CAW | CAX | 179.9° | 180.0° |
| CAV | SAZ | OBA | OBB | 124.6° | 113.5° |
| CAV | SAZ | OBA | OBC | 119.3° | 113.6° |
| CAV | SAZ | OBB | OBC | 117.3° | 123.0° |
| SAZ | CAV | CAU | HAU | 0.1° | 0.0° |
| SAZ | CAV | CAW | HAW | 0.1° | 0.1° |
| CAV | SAZ | OBA | HOBA | 119.3° | 180.0° |
| CAW | CAX | OAY | HOAY | 1.3° | 90.1° |
| OAY | CAX | CAW | HAW | 0.8° | 0.2° |
| OBA | SAZ | OBB | OBC | 119.4° | 122.9° |
| OBB | SAZ | OBA | HOBA | 116.1° | 66.5° |
| OBC | SAZ | OBA | HOBA | 0.0° | 66.4° |
| OBE | SBD | OBF | OBG | 116.2° | 132.9° |
| OBE | SBD | OBF | HOBF | 116.2° | 66.5° |
| OBG | SBD | OBF | HOBF | 0.0° | 66.4° |
| HAA | CAA | CAB | HAB | 0.2° | 0.3° |
| HAP | CAP | CAQ | HAQ | 0.0° | 0.0° |
