SA0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| O1 | CAO | sing | 1.36Å | 1.39Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| OAA | CAJ | sing | 1.43Å | 1.43Å | |
| CAF | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAO | doub | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAN | sing | 1.51Å | 1.51Å | |
| CAN | CAO | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| 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 | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 115.0° | 109.4° |
| O1 | C1 | O5 | 106.6° | 109.5° |
| C1 | O1 | CAO | 125.5° | 117.0° |
| O1 | C1 | H1 | 108.7° | 109.4° |
| C2 | C1 | O5 | 112.3° | 109.4° |
| C1 | C2 | O2 | 109.0° | 109.6° |
| C1 | C2 | C3 | 117.1° | 109.1° |
| C2 | C1 | H1 | 102.5° | 109.5° |
| C1 | C2 | H2 | 104.1° | 109.6° |
| C1 | O5 | C5 | 120.5° | 114.1° |
| O5 | C1 | H1 | 111.7° | 109.5° |
| O1 | CAO | CAI | 120.4° | 120.0° |
| O1 | CAO | CAN | 122.9° | 120.1° |
| O2 | C2 | C3 | 108.3° | 109.5° |
| O2 | C2 | H2 | 113.6° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | O3 | 108.5° | 109.5° |
| C2 | C3 | C4 | 108.6° | 109.0° |
| C3 | C2 | H2 | 104.8° | 109.6° |
| C2 | C3 | H3 | 110.8° | 109.5° |
| O3 | C3 | C4 | 109.8° | 109.5° |
| O3 | C3 | H3 | 109.6° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | O4 | 110.4° | 109.5° |
| C3 | C4 | C5 | 104.6° | 109.2° |
| C4 | C3 | H3 | 109.5° | 109.6° |
| C3 | C4 | H4 | 112.8° | 109.5° |
| O4 | C4 | C5 | 111.6° | 109.5° |
| O4 | C4 | H4 | 106.0° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | O5 | 111.1° | 109.4° |
| C4 | C5 | C6 | 114.2° | 109.5° |
| C5 | C4 | H4 | 111.6° | 109.6° |
| C4 | C5 | H5 | 103.9° | 109.5° |
| O5 | C5 | C6 | 105.6° | 109.5° |
| O5 | C5 | H5 | 112.7° | 109.5° |
| C5 | C6 | O6 | 109.3° | 109.4° |
| C6 | C5 | H5 | 109.5° | 109.5° |
| C5 | C6 | H61 | 109.6° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| O6 | C6 | H61 | 109.5° | 109.5° |
| O6 | C6 | H62 | 109.6° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| OAA | CAJ | CAN | 114.6° | 109.5° |
| CAJ | OAA | HOAA | 109.5° | 114.0° |
| OAA | CAJ | HAJ | 107.8° | 109.5° |
| OAA | CAJ | HAJA | 107.8° | 109.5° |
| CAG | CAF | CAH | 118.3° | 120.1° |
| CAF | CAG | CAI | 119.6° | 120.1° |
| CAG | CAF | HAF | 120.8° | 119.9° |
| CAF | CAG | HAG | 120.2° | 120.0° |
| CAF | CAH | CAN | 121.3° | 120.0° |
| CAH | CAF | HAF | 120.9° | 119.9° |
| CAF | CAH | HAH | 119.3° | 120.0° |
| CAG | CAI | CAO | 123.0° | 119.9° |
| CAI | CAG | HAG | 120.2° | 119.9° |
| CAG | CAI | HAI | 118.5° | 120.1° |
| CAH | CAN | CAJ | 118.2° | 120.0° |
| CAH | CAN | CAO | 121.0° | 120.0° |
| CAN | CAH | HAH | 119.3° | 120.0° |
| CAI | CAO | CAN | 116.7° | 119.9° |
| CAO | CAI | HAI | 118.5° | 120.0° |
| CAJ | CAN | CAO | 120.7° | 120.0° |
| CAN | CAJ | HAJ | 107.8° | 109.5° |
| CAN | CAJ | HAJA | 107.8° | 109.5° |
| H61 | C6 | H62 | 109.4° | 109.5° |
| HAJ | CAJ | HAJA | 111.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 122.1° | 120.0° |
| O1 | C1 | C2 | H1 | 117.9° | 120.0° |
| O1 | C1 | O5 | H1 | 118.6° | 120.0° |
| O1 | C1 | C2 | O2 | 84.9° | 62.5° |
| O1 | C1 | C2 | C3 | 151.7° | 177.6° |
| O1 | C1 | O5 | C5 | 158.6° | 178.8° |
| C1 | O1 | CAO | CAI | 73.1° | 0.0° |
| C1 | O1 | CAO | CAN | 107.1° | 180.0° |
| O1 | C1 | C2 | H2 | 36.6° | 57.7° |
| C2 | C1 | O5 | H1 | 114.6° | 120.1° |
| C2 | C1 | O1 | CAO | 165.4° | 175.0° |
| C1 | C2 | O2 | C3 | 128.4° | 119.6° |
| C1 | C2 | O2 | H2 | 115.5° | 120.2° |
| C1 | C2 | C3 | H2 | 114.7° | 119.9° |
| C1 | C2 | C3 | O3 | 167.3° | 176.8° |
| C1 | C2 | C3 | C4 | 47.9° | 57.0° |
| C2 | C1 | O5 | C5 | 31.8° | 61.2° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3 | 72.4° | 63.0° |
| O5 | C1 | O1 | CAO | 40.2° | 65.1° |
| O5 | C1 | C2 | O2 | 153.0° | 177.5° |
| O5 | C1 | C2 | C3 | 29.6° | 57.6° |
| C1 | O5 | C5 | C4 | 52.2° | 61.2° |
| C1 | O5 | C5 | C6 | 176.5° | 178.9° |
| O5 | C1 | C2 | H2 | 85.5° | 62.3° |
| C1 | O5 | C5 | H5 | 63.9° | 58.8° |
| O1 | CAO | CAI | CAG | 179.6° | 180.0° |
| O1 | CAO | CAN | CAH | 179.4° | 180.0° |
| O1 | CAO | CAI | CAN | 179.8° | 179.9° |
| O1 | CAO | CAN | CAJ | 1.1° | 0.0° |
| CAO | O1 | C1 | H1 | 80.3° | 55.0° |
| O1 | CAO | CAI | HAI | 0.3° | 0.0° |
| O2 | C2 | C3 | H2 | 121.6° | 120.1° |
| O2 | C2 | C3 | O3 | 69.0° | 63.3° |
| O2 | C2 | C3 | C4 | 171.6° | 176.9° |
| O2 | C2 | C1 | H1 | 33.0° | 57.4° |
| O2 | C2 | C3 | H3 | 51.3° | 56.9° |
| C2 | C3 | O3 | C4 | 118.6° | 119.5° |
| C2 | C3 | O3 | H3 | 121.1° | 120.2° |
| C2 | C3 | C4 | H3 | 121.1° | 119.9° |
| C2 | C3 | C4 | O4 | 176.9° | 176.9° |
| C2 | C3 | C4 | C5 | 62.9° | 57.0° |
| C3 | C2 | C1 | H1 | 90.4° | 62.4° |
| C3 | C2 | O2 | HO2 | 51.6° | 179.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.1° |
| C2 | C3 | C4 | H4 | 58.6° | 63.0° |
| O3 | C3 | C4 | H3 | 120.4° | 120.2° |
| O3 | C3 | C4 | O4 | 58.4° | 63.2° |
| O3 | C3 | C4 | C5 | 178.6° | 176.8° |
| O3 | C3 | C2 | H2 | 52.6° | 56.9° |
| O3 | C3 | C4 | H4 | 59.9° | 56.8° |
| C3 | C4 | O4 | C5 | 115.9° | 119.7° |
| C3 | C4 | O4 | H4 | 122.4° | 120.1° |
| C3 | C4 | C5 | H4 | 122.3° | 120.0° |
| C3 | C4 | C5 | O5 | 65.8° | 57.6° |
| C3 | C4 | C5 | C6 | 174.9° | 177.6° |
| C4 | C3 | C2 | H2 | 66.8° | 63.0° |
| C4 | C3 | O3 | HO3 | 61.4° | 179.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | H5 | 55.7° | 62.4° |
| O4 | C4 | C5 | H4 | 118.4° | 120.1° |
| O4 | C4 | C5 | O5 | 174.9° | 177.5° |
| O4 | C4 | C5 | C6 | 55.5° | 62.5° |
| O4 | C4 | C3 | H3 | 62.0° | 57.0° |
| O4 | C4 | C5 | H5 | 63.7° | 57.5° |
| C4 | C5 | O5 | C6 | 124.3° | 119.9° |
| C4 | C5 | O5 | H5 | 116.1° | 120.0° |
| C4 | C5 | C6 | H5 | 116.0° | 120.0° |
| C4 | C5 | C6 | O6 | 63.5° | 175.0° |
| C5 | C4 | C3 | H3 | 58.2° | 62.9° |
| C5 | C4 | O4 | HO4 | 64.1° | 179.7° |
| C4 | C5 | C6 | H61 | 176.5° | 55.0° |
| C4 | C5 | C6 | H62 | 56.5° | 65.0° |
| O5 | C5 | C6 | H5 | 121.6° | 120.1° |
| O5 | C5 | C6 | O6 | 58.8° | 65.1° |
| C5 | O5 | C1 | H1 | 82.8° | 58.8° |
| O5 | C5 | C4 | H4 | 56.5° | 62.4° |
| O5 | C5 | C6 | H61 | 61.2° | 174.9° |
| O5 | C5 | C6 | H62 | 178.9° | 54.9° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C6 | C5 | C4 | H4 | 62.8° | 57.6° |
| C5 | C6 | H61 | H62 | 120.1° | 120.1° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O6 | C6 | C5 | H5 | 179.5° | 55.0° |
| O6 | C6 | H61 | H62 | 120.1° | 120.0° |
| OAA | CAJ | CAN | CAH | 80.5° | 0.0° |
| OAA | CAJ | CAN | HAJ | 120.0° | 120.0° |
| OAA | CAJ | CAN | HAJA | 120.0° | 120.0° |
| OAA | CAJ | CAN | CAO | 101.1° | 180.0° |
| OAA | CAJ | HAJ | HAJA | 117.9° | 120.0° |
| CAG | CAF | CAH | HAF | 180.0° | 179.6° |
| CAF | CAG | CAI | HAG | 180.0° | 179.9° |
| CAG | CAF | CAH | CAN | 0.1° | 0.2° |
| CAF | CAG | CAI | CAO | 0.1° | 0.1° |
| CAG | CAF | CAH | HAH | 180.0° | 180.0° |
| CAF | CAG | CAI | HAI | 179.8° | 179.9° |
| CAH | CAF | CAG | CAI | 0.3° | 0.1° |
| CAF | CAH | CAN | HAH | 180.0° | 179.8° |
| CAF | CAH | CAN | CAJ | 178.7° | 179.9° |
| CAF | CAH | CAN | CAO | 0.3° | 0.1° |
| CAH | CAF | CAG | HAG | 179.7° | 179.9° |
| CAG | CAI | CAO | HAI | 180.0° | 180.0° |
| CAG | CAI | CAO | CAN | 0.2° | 0.1° |
| CAI | CAG | CAF | HAF | 179.7° | 179.7° |
| CAH | CAN | CAO | CAI | 0.4° | 0.1° |
| CAH | CAN | CAJ | CAO | 178.4° | 179.9° |
| CAN | CAH | CAF | HAF | 179.9° | 179.8° |
| CAH | CAN | CAJ | HAJ | 39.5° | 120.0° |
| CAH | CAN | CAJ | HAJA | 159.5° | 120.1° |
| CAI | CAO | CAN | CAJ | 178.7° | 180.0° |
| CAO | CAI | CAG | HAG | 179.8° | 180.0° |
| CAN | CAJ | OAA | HOAA | 180.0° | 180.0° |
| CAJ | CAN | CAH | HAH | 1.3° | 0.1° |
| CAN | CAJ | HAJ | HAJA | 117.9° | 120.0° |
| CAO | CAN | CAH | HAH | 179.7° | 180.0° |
| CAN | CAO | CAI | HAI | 179.8° | 179.9° |
| CAO | CAN | CAJ | HAJ | 138.9° | 60.0° |
| CAO | CAN | CAJ | HAJA | 18.9° | 60.0° |
| H1 | C1 | C2 | H2 | 154.5° | 177.6° |
| H2 | C2 | O2 | HO2 | 64.4° | 60.2° |
| H2 | C2 | C3 | H3 | 172.9° | 177.1° |
| H3 | C3 | O3 | HO3 | 58.9° | 60.1° |
| H3 | C3 | C4 | H4 | 179.7° | 177.1° |
| H4 | C4 | O4 | HO4 | 57.6° | 60.1° |
| H4 | C4 | C5 | H5 | 177.9° | 177.6° |
| H5 | C5 | C6 | H61 | 60.4° | 65.0° |
| H5 | C5 | C6 | H62 | 59.5° | 175.0° |
| H61 | C6 | O6 | HO6 | 60.0° | 59.9° |
| H62 | C6 | O6 | HO6 | 60.0° | 60.1° |
| HOAA | OAA | CAJ | HAJ | 60.0° | 60.0° |
| HOAA | OAA | CAJ | HAJA | 60.1° | 60.0° |
| HAF | CAF | CAG | HAG | 0.3° | 0.3° |
| HAF | CAF | CAH | HAH | 0.0° | 0.4° |
| HAG | CAG | CAI | HAI | 0.2° | 0.0° |
