OYS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | SAT | sing | 1.66Å | 1.61Å | |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| CAP | OAB | doub | 1.21Å | 1.22Å | |
| OAC | SAT | doub | 1.42Å | 1.45Å | |
| SAT | OAD | doub | 1.42Å | 1.47Å | |
| CAF | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.41Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAH | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAI | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAQ | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAQ | CAI | sing | 1.38Å | 1.37Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAR | CAJ | doub | 1.39Å | 1.38Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.38Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAR | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | CAS | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | CAP | sing | 1.51Å | 1.49Å | |
| CAN | CAQ | sing | 1.51Å | 1.49Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAP | NAO | sing | 1.35Å | 1.41Å | |
| NAO | CAR | sing | 1.40Å | 1.41Å | |
| NAO | HNAO | sing | 0.97Å | 1.00Å | |
| CAS | SAT | sing | 1.76Å | 1.77Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SAT | NAA | HNAA | 109.5° | 120.0° |
| SAT | NAA | HNAB | 109.5° | 120.0° |
| NAA | SAT | OAC | 113.5° | 106.4° |
| NAA | SAT | OAD | 110.5° | 106.4° |
| NAA | SAT | CAS | 107.7° | 107.2° |
| HNAA | NAA | HNAB | 109.5° | 120.1° |
| OAB | CAP | CAN | 123.0° | 120.0° |
| OAB | CAP | NAO | 122.0° | 120.0° |
| OAC | SAT | OAD | 114.3° | 123.2° |
| OAC | SAT | CAS | 104.3° | 106.4° |
| OAD | SAT | CAS | 105.8° | 106.4° |
| CAF | CAE | CAG | 122.0° | 120.0° |
| CAF | CAE | HAE | 119.0° | 120.0° |
| CAE | CAF | CAH | 118.3° | 120.0° |
| CAE | CAF | HAF | 120.8° | 120.0° |
| CAG | CAE | HAE | 119.0° | 120.0° |
| CAE | CAG | CAI | 118.4° | 120.0° |
| CAE | CAG | HAG | 120.8° | 120.0° |
| CAH | CAF | HAF | 120.8° | 120.0° |
| CAF | CAH | CAQ | 120.0° | 120.0° |
| CAF | CAH | HAH | 120.0° | 120.0° |
| CAI | CAG | HAG | 120.8° | 120.0° |
| CAG | CAI | CAQ | 119.7° | 120.0° |
| CAG | CAI | HAI | 120.1° | 120.0° |
| CAQ | CAH | HAH | 120.0° | 120.0° |
| CAH | CAQ | CAI | 121.4° | 120.0° |
| CAH | CAQ | CAN | 119.2° | 120.0° |
| CAQ | CAI | HAI | 120.2° | 120.0° |
| CAI | CAQ | CAN | 119.3° | 120.0° |
| CAR | CAJ | CAL | 120.5° | 119.9° |
| CAR | CAJ | HAJ | 119.7° | 120.1° |
| CAJ | CAR | CAK | 120.2° | 119.9° |
| CAJ | CAR | NAO | 114.6° | 120.0° |
| CAL | CAJ | HAJ | 119.7° | 120.0° |
| CAJ | CAL | CAS | 120.5° | 120.1° |
| CAJ | CAL | HAL | 119.8° | 120.0° |
| CAR | CAK | CAM | 118.9° | 119.9° |
| CAR | CAK | HAK | 120.6° | 120.0° |
| CAK | CAR | NAO | 125.2° | 120.1° |
| CAM | CAK | HAK | 120.5° | 120.1° |
| CAK | CAM | CAS | 121.1° | 120.1° |
| CAK | CAM | HAM | 119.5° | 119.9° |
| CAS | CAL | HAL | 119.8° | 119.9° |
| CAL | CAS | CAM | 118.8° | 120.1° |
| CAL | CAS | SAT | 119.0° | 120.0° |
| CAS | CAM | HAM | 119.5° | 119.9° |
| CAM | CAS | SAT | 122.2° | 119.9° |
| CAP | CAN | CAQ | 113.2° | 109.5° |
| CAP | CAN | HAN | 108.2° | 109.4° |
| CAP | CAN | HANA | 108.2° | 109.4° |
| CAN | CAP | NAO | 115.0° | 120.0° |
| CAQ | CAN | HAN | 108.3° | 109.5° |
| CAQ | CAN | HANA | 108.2° | 109.5° |
| HAN | CAN | HANA | 110.7° | 109.5° |
| CAP | NAO | CAR | 125.9° | 120.0° |
| CAP | NAO | HNAO | 117.1° | 120.0° |
| CAR | NAO | HNAO | 117.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SAT | NAA | HNAA | HNAB | 120.0° | 179.7° |
| NAA | SAT | OAC | OAD | 128.0° | 123.0° |
| NAA | SAT | OAC | CAS | 117.0° | 114.0° |
| NAA | SAT | OAD | CAS | 116.3° | 114.1° |
| NAA | SAT | CAS | CAL | 48.0° | 90.0° |
| NAA | SAT | CAS | CAM | 131.3° | 90.1° |
| HNAA | NAA | SAT | OAC | 180.0° | 113.5° |
| HNAA | NAA | SAT | OAD | 50.1° | 113.5° |
| HNAA | NAA | SAT | CAS | 65.0° | 0.0° |
| HNAB | NAA | SAT | OAC | 60.0° | 66.8° |
| HNAB | NAA | SAT | OAD | 69.9° | 66.2° |
| HNAB | NAA | SAT | CAS | 175.0° | 179.7° |
| OAB | CAP | CAN | NAO | 179.7° | 179.9° |
| OAB | CAP | CAN | CAQ | 79.2° | 0.1° |
| OAB | CAP | CAN | HAN | 160.7° | 120.0° |
| OAB | CAP | CAN | HANA | 40.7° | 120.0° |
| OAB | CAP | NAO | CAR | 0.2° | 5.2° |
| OAB | CAP | NAO | HNAO | 179.8° | 174.7° |
| OAC | SAT | OAD | CAS | 114.2° | 123.0° |
| OAC | SAT | CAS | CAL | 168.9° | 23.5° |
| OAC | SAT | CAS | CAM | 10.4° | 156.4° |
| OAD | SAT | CAS | CAL | 70.2° | 156.5° |
| OAD | SAT | CAS | CAM | 110.5° | 23.4° |
| CAF | CAE | CAG | HAE | 180.0° | 179.8° |
| CAE | CAF | CAH | HAF | 180.0° | 180.0° |
| CAF | CAE | CAG | CAI | 0.7° | 0.4° |
| CAF | CAE | CAG | HAG | 179.3° | 179.8° |
| CAE | CAF | CAH | CAQ | 0.4° | 0.1° |
| CAE | CAF | CAH | HAH | 179.6° | 180.0° |
| CAG | CAE | CAF | CAH | 1.4° | 0.0° |
| CAG | CAE | CAF | HAF | 178.6° | 180.0° |
| CAE | CAG | CAI | HAG | 180.0° | 179.9° |
| CAE | CAG | CAI | CAQ | 1.8° | 0.6° |
| CAE | CAG | CAI | HAI | 178.2° | 179.9° |
| HAE | CAE | CAF | CAH | 178.6° | 179.8° |
| HAE | CAE | CAF | HAF | 1.4° | 0.2° |
| HAE | CAE | CAG | CAI | 179.3° | 179.8° |
| HAE | CAE | CAG | HAG | 0.7° | 0.0° |
| CAF | CAH | CAQ | HAH | 180.0° | 179.9° |
| CAF | CAH | CAQ | CAI | 2.9° | 0.2° |
| CAF | CAH | CAQ | CAN | 178.9° | 179.9° |
| HAF | CAF | CAH | CAQ | 179.6° | 179.9° |
| HAF | CAF | CAH | HAH | 0.4° | 0.0° |
| CAG | CAI | CAQ | CAH | 3.7° | 0.5° |
| CAG | CAI | CAQ | HAI | 180.0° | 179.4° |
| CAG | CAI | CAQ | CAN | 179.6° | 179.7° |
| HAG | CAG | CAI | CAQ | 178.2° | 179.5° |
| HAG | CAG | CAI | HAI | 1.8° | 0.1° |
| CAH | CAQ | CAI | CAN | 176.0° | 179.8° |
| CAH | CAQ | CAI | HAI | 176.4° | 180.0° |
| CAH | CAQ | CAN | CAP | 116.2° | 89.9° |
| CAH | CAQ | CAN | HAN | 123.8° | 30.0° |
| CAH | CAQ | CAN | HANA | 3.8° | 150.1° |
| HAH | CAH | CAQ | CAI | 177.1° | 179.7° |
| HAH | CAH | CAQ | CAN | 1.1° | 0.1° |
| CAI | CAQ | CAN | CAP | 59.8° | 90.3° |
| CAI | CAQ | CAN | HAN | 60.2° | 149.8° |
| CAI | CAQ | CAN | HANA | 179.8° | 29.7° |
| HAI | CAI | CAQ | CAN | 0.4° | 0.3° |
| CAR | CAJ | CAL | HAJ | 180.0° | 179.7° |
| CAJ | CAR | CAK | NAO | 179.5° | 180.0° |
| CAJ | CAR | CAK | CAM | 0.8° | 0.5° |
| CAJ | CAR | CAK | HAK | 179.2° | 179.7° |
| CAR | CAJ | CAL | CAS | 0.7° | 0.3° |
| CAR | CAJ | CAL | HAL | 179.3° | 179.7° |
| CAJ | CAR | NAO | CAP | 178.4° | 33.3° |
| CAJ | CAR | NAO | HNAO | 1.6° | 146.8° |
| CAL | CAJ | CAR | CAK | 0.6° | 0.1° |
| CAJ | CAL | CAS | HAL | 180.0° | 179.9° |
| CAJ | CAL | CAS | CAM | 1.9° | 0.0° |
| CAL | CAJ | CAR | NAO | 179.8° | 179.9° |
| CAJ | CAL | CAS | SAT | 178.8° | 179.9° |
| HAJ | CAJ | CAR | CAK | 179.4° | 179.8° |
| HAJ | CAJ | CAL | CAS | 179.3° | 180.0° |
| HAJ | CAJ | CAL | HAL | 0.7° | 0.0° |
| HAJ | CAJ | CAR | NAO | 0.2° | 0.3° |
| CAR | CAK | CAM | HAK | 180.0° | 179.2° |
| CAR | CAK | CAM | CAS | 0.4° | 0.8° |
| CAR | CAK | CAM | HAM | 179.6° | 179.2° |
| CAK | CAR | NAO | CAP | 1.1° | 146.7° |
| CAK | CAR | NAO | HNAO | 178.9° | 33.3° |
| CAK | CAM | CAS | CAL | 1.7° | 0.6° |
| CAK | CAM | CAS | HAM | 180.0° | 180.0° |
| CAM | CAK | CAR | NAO | 179.7° | 179.5° |
| CAK | CAM | CAS | SAT | 179.0° | 179.5° |
| HAK | CAK | CAM | CAS | 179.6° | 179.9° |
| HAK | CAK | CAM | HAM | 0.4° | 0.0° |
| HAK | CAK | CAR | NAO | 0.3° | 0.2° |
| CAL | CAS | CAM | SAT | 179.3° | 179.9° |
| CAL | CAS | CAM | HAM | 178.3° | 179.4° |
| HAL | CAL | CAS | CAM | 178.1° | 179.9° |
| HAL | CAL | CAS | SAT | 1.2° | 0.0° |
| HAM | CAM | CAS | SAT | 1.0° | 0.5° |
| CAP | CAN | CAQ | HAN | 120.0° | 119.9° |
| CAP | CAN | CAQ | HANA | 120.0° | 120.0° |
| CAP | CAN | HAN | HANA | 118.5° | 119.9° |
| CAN | CAP | NAO | CAR | 179.5° | 174.7° |
| CAN | CAP | NAO | HNAO | 0.6° | 5.4° |
| CAQ | CAN | HAN | HANA | 118.5° | 120.1° |
| CAQ | CAN | CAP | NAO | 101.1° | 180.0° |
| HAN | CAN | CAP | NAO | 18.9° | 60.0° |
| HANA | CAN | CAP | NAO | 138.9° | 59.9° |
| CAP | NAO | CAR | HNAO | 180.0° | 179.9° |
