Obsolete: YDR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAC | sing | 1.43Å | 1.41Å | |
| OAF | CAE | sing | 1.43Å | 1.45Å | |
| CAC | CAE | sing | 1.53Å | 1.54Å | |
| CAC | CAA | sing | 1.53Å | 1.53Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| CAE | CAG | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| CAG | OAH | sing | 1.43Å | 1.44Å | |
| CAG | CAI | sing | 1.53Å | 1.54Å | |
| CAA | OAL | sing | 1.43Å | 1.46Å | |
| CAA | OAB | sing | 1.43Å | 1.43Å | |
| SAK | C1 | sing | 1.81Å | 1.87Å | |
| SAK | CAJ | sing | 1.81Å | 1.81Å | |
| C2 | O2 | sing | 1.43Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| OAL | CAI | sing | 1.43Å | 1.46Å | |
| O4 | C4 | sing | 1.43Å | 1.45Å | |
| CAI | CAJ | sing | 1.53Å | 1.56Å | |
| C1 | O5 | sing | 1.43Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | O5 | sing | 1.43Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| 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 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| OAH | HOAH | sing | 0.97Å | 0.95Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| 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) |
| OAD | CAC | CAE | 109.4° | 109.5° |
| OAD | CAC | CAA | 108.6° | 109.5° |
| OAD | CAC | HAC | 110.2° | 109.6° |
| CAC | OAD | HOAD | 109.5° | 114.0° |
| OAF | CAE | CAC | 111.7° | 109.5° |
| OAF | CAE | CAG | 111.4° | 109.5° |
| OAF | CAE | HAE | 108.5° | 109.6° |
| CAE | OAF | HOAF | 109.5° | 114.0° |
| CAE | CAC | CAA | 111.4° | 109.1° |
| CAC | CAE | CAG | 110.2° | 109.1° |
| CAE | CAC | HAC | 108.5° | 109.6° |
| CAC | CAE | HAE | 107.4° | 109.6° |
| CAC | CAA | OAL | 110.8° | 109.5° |
| CAC | CAA | OAB | 111.1° | 109.5° |
| CAC | CAA | HAA | 108.6° | 109.5° |
| CAA | CAC | HAC | 108.7° | 109.5° |
| O3 | C3 | C2 | 108.1° | 109.6° |
| O3 | C3 | C4 | 106.1° | 109.5° |
| O3 | C3 | H3 | 112.0° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 113.9° |
| CAE | CAG | OAH | 109.1° | 109.5° |
| CAE | CAG | CAI | 110.5° | 109.2° |
| CAG | CAE | HAE | 107.5° | 109.5° |
| CAE | CAG | HAG | 108.5° | 109.5° |
| C2 | C3 | C4 | 109.2° | 109.0° |
| C3 | C2 | O2 | 102.1° | 109.5° |
| C3 | C2 | C1 | 109.6° | 109.1° |
| C3 | C2 | H2 | 110.7° | 109.6° |
| C2 | C3 | H3 | 110.7° | 109.5° |
| C3 | C4 | O4 | 109.9° | 109.6° |
| C3 | C4 | C5 | 108.1° | 109.2° |
| C4 | C3 | H3 | 110.5° | 109.6° |
| C3 | C4 | H4 | 107.7° | 109.5° |
| OAH | CAG | CAI | 110.5° | 109.6° |
| OAH | CAG | HAG | 109.7° | 109.5° |
| CAG | OAH | HOAH | 109.5° | 114.1° |
| CAG | CAI | OAL | 110.6° | 109.4° |
| CAG | CAI | CAJ | 115.5° | 109.5° |
| CAI | CAG | HAG | 108.4° | 109.6° |
| CAG | CAI | HAI | 107.9° | 109.5° |
| OAL | CAA | OAB | 106.9° | 109.5° |
| CAA | OAL | CAI | 114.1° | 114.1° |
| OAL | CAA | HAA | 109.5° | 109.5° |
| OAB | CAA | HAA | 109.9° | 109.4° |
| CAA | OAB | HOAB | 109.5° | 114.0° |
| C1 | SAK | CAJ | 103.6° | 103.0° |
| SAK | C1 | C2 | 114.1° | 109.5° |
| SAK | C1 | O5 | 105.1° | 109.4° |
| SAK | C1 | H1 | 105.9° | 109.5° |
| SAK | CAJ | CAI | 112.9° | 109.5° |
| SAK | CAJ | HAJ | 108.6° | 109.5° |
| SAK | CAJ | HAJA | 108.6° | 109.4° |
| O2 | C2 | C1 | 112.3° | 109.5° |
| O2 | C2 | H2 | 111.7° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.1° |
| C2 | C1 | O5 | 111.9° | 109.4° |
| C2 | C1 | H1 | 109.1° | 109.5° |
| C1 | C2 | H2 | 110.1° | 109.5° |
| OAL | CAI | CAJ | 106.2° | 109.5° |
| OAL | CAI | HAI | 108.9° | 109.5° |
| O4 | C4 | C5 | 114.5° | 109.5° |
| O4 | C4 | H4 | 108.8° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| CAJ | CAI | HAI | 107.6° | 109.5° |
| CAI | CAJ | HAJ | 108.6° | 109.5° |
| CAI | CAJ | HAJA | 108.6° | 109.5° |
| C1 | O5 | C5 | 115.2° | 114.1° |
| O5 | C1 | H1 | 110.5° | 109.5° |
| C4 | C5 | O5 | 107.2° | 109.4° |
| C4 | C5 | C6 | 114.3° | 109.5° |
| C5 | C4 | H4 | 107.6° | 109.5° |
| C4 | C5 | H5 | 108.3° | 109.5° |
| O5 | C5 | C6 | 109.0° | 109.5° |
| O5 | C5 | H5 | 109.2° | 109.5° |
| C5 | C6 | O6 | 108.5° | 109.5° |
| C6 | C5 | H5 | 108.6° | 109.4° |
| C5 | C6 | H6A | 109.7° | 109.5° |
| C5 | C6 | H6 | 109.7° | 109.4° |
| O6 | C6 | H6A | 109.7° | 109.5° |
| O6 | C6 | H6 | 109.7° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.1° |
| H6A | C6 | H6 | 109.5° | 109.5° |
| HAJ | CAJ | HAJA | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAC | CAE | OAF | 57.5° | 56.9° |
| OAD | CAC | CAE | CAA | 120.1° | 119.9° |
| OAD | CAC | CAE | HAC | 120.3° | 120.2° |
| OAD | CAC | CAA | HAC | 119.9° | 120.2° |
| OAD | CAC | CAE | CAG | 66.9° | 62.9° |
| OAD | CAC | CAA | OAL | 66.8° | 62.3° |
| OAD | CAC | CAA | OAB | 174.5° | 177.7° |
| OAD | CAC | CAA | HAA | 53.4° | 57.7° |
| OAD | CAC | CAE | HAE | 176.3° | 177.2° |
| OAF | CAE | CAC | CAG | 124.4° | 119.9° |
| OAF | CAE | CAC | HAE | 118.8° | 120.2° |
| OAF | CAE | CAC | CAA | 177.6° | 176.8° |
| OAF | CAE | CAG | HAE | 118.7° | 120.2° |
| OAF | CAE | CAG | OAH | 59.9° | 63.2° |
| OAF | CAE | CAG | CAI | 178.4° | 176.8° |
| OAF | CAE | CAC | HAC | 62.8° | 63.3° |
| OAF | CAE | CAG | HAG | 59.6° | 56.9° |
| CAE | CAC | CAA | HAC | 119.5° | 119.9° |
| CAC | CAE | CAG | HAE | 116.7° | 119.9° |
| CAC | CAE | CAG | OAH | 175.5° | 176.9° |
| CAC | CAE | CAG | CAI | 53.8° | 57.0° |
| CAE | CAC | CAA | OAL | 53.7° | 57.6° |
| CAE | CAC | CAA | OAB | 64.9° | 62.4° |
| CAE | CAC | CAA | HAA | 174.0° | 177.6° |
| CAE | CAC | OAD | HOAD | 180.0° | 179.9° |
| CAC | CAE | OAF | HOAF | 180.0° | 60.0° |
| CAC | CAE | CAG | HAG | 65.0° | 63.0° |
| CAA | CAC | CAE | CAG | 53.2° | 57.0° |
| CAC | CAA | OAL | OAB | 121.2° | 120.0° |
| CAC | CAA | OAL | HAA | 119.7° | 120.0° |
| CAC | CAA | OAB | HAA | 120.2° | 120.0° |
| CAC | CAA | OAL | CAI | 57.1° | 61.1° |
| CAC | CAA | OAB | HOAB | 180.0° | 179.9° |
| CAA | CAC | OAD | HOAD | 58.2° | 60.3° |
| CAA | CAC | CAE | HAE | 63.6° | 62.9° |
| O3 | C3 | C2 | C4 | 115.1° | 119.9° |
| O3 | C3 | C2 | H3 | 123.1° | 120.3° |
| O3 | C3 | C4 | H3 | 121.6° | 120.3° |
| O3 | C3 | C2 | O2 | 52.9° | 57.0° |
| O3 | C3 | C2 | C1 | 172.1° | 62.9° |
| O3 | C3 | C4 | O4 | 53.7° | 177.2° |
| O3 | C3 | C4 | C5 | 179.3° | 62.8° |
| O3 | C3 | C2 | H2 | 66.2° | 177.2° |
| O3 | C3 | C4 | H4 | 64.7° | 57.0° |
| CAE | CAG | OAH | CAI | 121.7° | 119.7° |
| CAE | CAG | OAH | HAG | 118.8° | 120.1° |
| CAE | CAG | CAI | HAG | 118.9° | 119.9° |
| CAE | CAG | CAI | OAL | 55.8° | 57.6° |
| CAE | CAG | CAI | CAJ | 176.3° | 177.6° |
| CAG | CAE | CAC | HAC | 172.8° | 176.9° |
| CAG | CAE | OAF | HOAF | 56.3° | 179.6° |
| CAE | CAG | OAH | HOAH | 180.0° | 59.9° |
| CAE | CAG | CAI | HAI | 63.2° | 62.4° |
| C2 | C3 | C4 | H3 | 122.0° | 119.8° |
| C3 | C2 | C1 | SAK | 68.7° | 177.6° |
| C3 | C2 | O2 | C1 | 117.3° | 119.7° |
| C3 | C2 | O2 | H2 | 118.4° | 120.3° |
| C3 | C2 | C1 | H2 | 122.0° | 120.0° |
| C2 | C3 | C4 | O4 | 170.0° | 62.9° |
| C3 | C2 | C1 | O5 | 50.6° | 57.6° |
| C2 | C3 | C4 | C5 | 64.4° | 57.0° |
| C3 | C2 | C1 | H1 | 173.2° | 62.4° |
| C3 | C2 | O2 | HO2 | 180.0° | 179.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 51.6° | 176.9° |
| C4 | C3 | C2 | O2 | 62.2° | 176.9° |
| C4 | C3 | C2 | C1 | 57.1° | 57.0° |
| C3 | C4 | O4 | C5 | 121.9° | 119.7° |
| C3 | C4 | O4 | H4 | 117.7° | 120.1° |
| C3 | C4 | C5 | H4 | 116.1° | 119.9° |
| C3 | C4 | C5 | O5 | 62.6° | 57.7° |
| C3 | C4 | C5 | C6 | 176.4° | 62.3° |
| C4 | C3 | C2 | H2 | 178.7° | 62.9° |
| C4 | C3 | O3 | HO3 | 62.9° | 179.5° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | H5 | 55.2° | 177.6° |
| OAH | CAG | CAI | HAG | 120.3° | 120.2° |
| OAH | CAG | CAI | OAL | 176.6° | 177.5° |
| OAH | CAG | CAI | CAJ | 62.8° | 62.5° |
| OAH | CAG | CAE | HAE | 58.8° | 57.0° |
| OAH | CAG | CAI | HAI | 57.7° | 57.5° |
| CAG | CAI | OAL | CAA | 58.1° | 61.1° |
| CAG | CAI | CAJ | SAK | 59.5° | 175.0° |
| CAG | CAI | OAL | CAJ | 126.0° | 120.0° |
| CAG | CAI | OAL | HAI | 118.4° | 120.0° |
| CAG | CAI | CAJ | HAI | 120.5° | 120.0° |
| CAI | CAG | CAE | HAE | 62.9° | 62.9° |
| CAI | CAG | OAH | HOAH | 58.3° | 179.6° |
| CAG | CAI | CAJ | HAJ | 61.0° | 55.0° |
| CAG | CAI | CAJ | HAJA | 180.0° | 65.1° |
| OAL | CAA | OAB | HAA | 118.8° | 120.0° |
| CAA | OAL | CAI | CAJ | 175.9° | 178.9° |
| OAL | CAA | OAB | HOAB | 59.0° | 59.9° |
| OAL | CAA | CAC | HAC | 173.2° | 177.5° |
| CAA | OAL | CAI | HAI | 60.2° | 58.9° |
| OAB | CAA | OAL | CAI | 64.1° | 58.9° |
| OAB | CAA | CAC | HAC | 54.6° | 57.5° |
| SAK | C1 | C2 | O2 | 178.5° | 62.5° |
| SAK | C1 | C2 | O5 | 119.3° | 119.9° |
| SAK | C1 | C2 | H1 | 118.2° | 120.0° |
| C1 | SAK | CAJ | CAI | 154.8° | 180.0° |
| SAK | C1 | O5 | H1 | 113.8° | 120.0° |
| SAK | C1 | O5 | C5 | 71.4° | 178.9° |
| SAK | C1 | C2 | H2 | 53.3° | 57.6° |
| C1 | SAK | CAJ | HAJ | 84.7° | 59.9° |
| C1 | SAK | CAJ | HAJA | 34.3° | 60.0° |
| CAJ | SAK | C1 | C2 | 170.7° | 170.0° |
| SAK | CAJ | CAI | OAL | 63.5° | 65.0° |
| SAK | CAJ | CAI | HAJ | 120.5° | 120.1° |
| SAK | CAJ | CAI | HAJA | 120.5° | 119.9° |
| CAJ | SAK | C1 | O5 | 47.6° | 70.0° |
| CAJ | SAK | C1 | H1 | 69.3° | 50.0° |
| SAK | CAJ | CAI | HAI | 180.0° | 55.0° |
| SAK | CAJ | HAJ | HAJA | 118.5° | 119.9° |
| O2 | C2 | C1 | H2 | 125.2° | 120.1° |
| O2 | C2 | C1 | O5 | 62.2° | 177.6° |
| O2 | C2 | C1 | H1 | 60.4° | 57.5° |
| O2 | C2 | C3 | H3 | 176.0° | 63.3° |
| C2 | C1 | O5 | H1 | 121.8° | 120.1° |
| C2 | C1 | O5 | C5 | 53.0° | 61.1° |
| C1 | C2 | O2 | HO2 | 62.7° | 60.0° |
| C1 | C2 | C3 | H3 | 64.8° | 176.8° |
| OAL | CAI | CAJ | HAI | 116.5° | 120.0° |
| CAI | OAL | CAA | HAA | 176.8° | 178.8° |
| OAL | CAI | CAG | HAG | 63.1° | 62.3° |
| OAL | CAI | CAJ | HAJ | 176.0° | 174.9° |
| OAL | CAI | CAJ | HAJA | 57.1° | 54.9° |
| O4 | C4 | C5 | H4 | 121.1° | 120.2° |
| O4 | C4 | C5 | O5 | 174.6° | 62.3° |
| O4 | C4 | C5 | C6 | 53.6° | 177.7° |
| O4 | C4 | C3 | H3 | 68.0° | 56.9° |
| O4 | C4 | C5 | H5 | 67.7° | 57.7° |
| CAJ | CAI | CAG | HAG | 57.5° | 57.7° |
| CAI | CAJ | HAJ | HAJA | 118.4° | 120.0° |
| C1 | O5 | C5 | C4 | 58.5° | 61.2° |
| C1 | O5 | C5 | C6 | 177.2° | 58.9° |
| O5 | C1 | C2 | H2 | 172.6° | 62.3° |
| C1 | O5 | C5 | H5 | 58.7° | 178.8° |
| C4 | C5 | O5 | C6 | 124.3° | 120.0° |
| C4 | C5 | O5 | H5 | 117.2° | 120.0° |
| C4 | C5 | C6 | H5 | 121.1° | 120.0° |
| C4 | C5 | C6 | O6 | 64.8° | 173.4° |
| C5 | C4 | C3 | H3 | 57.6° | 176.9° |
| C5 | C4 | O4 | HO4 | 58.1° | 179.7° |
| C4 | C5 | C6 | H6A | 175.4° | 53.4° |
| C4 | C5 | C6 | H6 | 55.1° | 66.6° |
| O5 | C5 | C6 | H5 | 118.9° | 120.0° |
| O5 | C5 | C6 | O6 | 55.2° | 66.6° |
| C5 | O5 | C1 | H1 | 174.8° | 58.9° |
| O5 | C5 | C4 | H4 | 53.5° | 177.5° |
| O5 | C5 | C6 | H6A | 64.6° | 173.4° |
| O5 | C5 | C6 | H6 | 175.1° | 53.4° |
| C5 | C6 | O6 | H6A | 119.8° | 120.1° |
| C5 | C6 | O6 | H6 | 119.9° | 120.0° |
| C6 | C5 | C4 | H4 | 67.5° | 57.5° |
| C5 | C6 | H6A | H6 | 120.4° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O6 | C6 | C5 | H5 | 174.1° | 53.4° |
| O6 | C6 | H6A | H6 | 120.5° | 120.0° |
| H1 | C1 | C2 | H2 | 64.8° | 177.6° |
| H2 | C2 | O2 | HO2 | 61.6° | 60.1° |
| H2 | C2 | C3 | H3 | 56.9° | 56.9° |
| H3 | C3 | O3 | HO3 | 57.7° | 60.3° |
| H3 | C3 | C4 | H4 | 173.6° | 63.3° |
| H4 | C4 | O4 | HO4 | 62.3° | 60.1° |
| H4 | C4 | C5 | H5 | 171.3° | 62.5° |
| H5 | C5 | C6 | H6A | 54.3° | 66.7° |
| H5 | C5 | C6 | H6 | 66.0° | 173.3° |
| H6A | C6 | O6 | HO6 | 60.2° | 60.0° |
| H6 | C6 | O6 | HO6 | 60.1° | 60.0° |
| HAA | CAA | OAB | HOAB | 59.8° | 60.1° |
| HAA | CAA | CAC | HAC | 66.5° | 62.5° |
| HAC | CAC | OAD | HOAD | 60.7° | 59.9° |
| HAC | CAC | CAE | HAE | 56.0° | 57.0° |
| HAE | CAE | OAF | HOAF | 61.9° | 60.2° |
| HAE | CAE | CAG | HAG | 178.3° | 177.1° |
| HAG | CAG | OAH | HOAH | 61.2° | 60.1° |
| HAG | CAG | CAI | HAI | 177.9° | 177.7° |
| HAI | CAI | CAJ | HAJ | 59.5° | 65.1° |
| HAI | CAI | CAJ | HAJA | 59.4° | 174.9° |
