Obsolete: TUR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | O5 | sing | 1.43Å | 1.33Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| O1 | CAV | sing | 1.43Å | 1.23Å | |
| C2 | O2 | sing | 1.43Å | 1.37Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.36Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | O4 | sing | 1.43Å | 1.38Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C6 | O6 | sing | 1.43Å | 1.38Å | |
| OAB | CAJ | sing | 1.43Å | 1.32Å | |
| OAC | CAK | sing | 1.43Å | 1.30Å | |
| OAG | CAR | sing | 1.43Å | 1.39Å | |
| OAH | CAW | sing | 1.43Å | 1.43Å | |
| CAJ | CAT | sing | 1.53Å | 1.43Å | |
| CAK | CAW | sing | 1.53Å | 1.48Å | |
| OAN | CAW | sing | 1.44Å | 1.33Å | |
| OAN | CAT | sing | 1.44Å | 1.34Å | |
| CAR | CAT | sing | 1.55Å | 1.51Å | |
| CAR | CAV | sing | 1.55Å | 1.52Å | |
| CAV | CAW | sing | 1.54Å | 1.51Å | |
| 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 | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| OAH | HOAH | sing | 0.97Å | 0.95Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O5 | 101.8° | 109.5° |
| O1 | C1 | C2 | 126.3° | 109.5° |
| C1 | O1 | CAV | 119.6° | 114.0° |
| O1 | C1 | H1 | 108.7° | 109.5° |
| O5 | C1 | C2 | 101.7° | 109.4° |
| C1 | O5 | C5 | 119.7° | 114.1° |
| O5 | C1 | H1 | 110.0° | 109.5° |
| C1 | C2 | O2 | 108.8° | 109.6° |
| C1 | C2 | C3 | 110.6° | 109.2° |
| C2 | C1 | H1 | 107.4° | 109.5° |
| C1 | C2 | H2 | 107.4° | 109.5° |
| O1 | CAV | CAR | 99.0° | 110.5° |
| O1 | CAV | CAW | 106.6° | 110.5° |
| O1 | CAV | HAV | 119.1° | 110.5° |
| O2 | C2 | C3 | 113.4° | 109.5° |
| O2 | C2 | H2 | 109.3° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | O3 | 109.5° | 109.5° |
| C2 | C3 | C4 | 108.6° | 109.0° |
| C3 | C2 | H2 | 107.1° | 109.5° |
| C2 | C3 | H3 | 108.1° | 109.5° |
| O3 | C3 | C4 | 111.8° | 109.5° |
| O3 | C3 | H3 | 110.7° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C5 | 107.3° | 109.2° |
| C3 | C4 | O4 | 112.8° | 109.5° |
| C4 | C3 | H3 | 108.0° | 109.6° |
| C3 | C4 | H4 | 107.5° | 109.5° |
| C5 | C4 | O4 | 111.7° | 109.5° |
| C4 | C5 | C6 | 113.5° | 109.4° |
| C4 | C5 | O5 | 114.7° | 109.4° |
| C5 | C4 | H4 | 107.5° | 109.5° |
| C4 | C5 | H5 | 107.4° | 109.5° |
| O4 | C4 | H4 | 109.7° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C6 | C5 | O5 | 104.0° | 109.5° |
| C5 | C6 | O6 | 109.1° | 109.4° |
| C6 | C5 | H5 | 107.9° | 109.5° |
| C5 | C6 | H6A | 109.6° | 109.4° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| O5 | C5 | H5 | 109.0° | 109.5° |
| O6 | C6 | H6A | 109.6° | 109.4° |
| O6 | C6 | H6 | 109.6° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| OAB | CAJ | CAT | 103.0° | 109.4° |
| CAJ | OAB | HOAB | 109.5° | 114.0° |
| OAB | CAJ | HAJ | 111.1° | 109.5° |
| OAB | CAJ | HAJA | 111.1° | 109.5° |
| OAC | CAK | CAW | 113.2° | 109.5° |
| CAK | OAC | HOAC | 109.5° | 114.0° |
| OAC | CAK | HAK | 108.6° | 109.4° |
| OAC | CAK | HAKA | 108.5° | 109.5° |
| OAG | CAR | CAT | 112.0° | 110.9° |
| OAG | CAR | CAV | 109.2° | 110.9° |
| CAR | OAG | HOAG | 109.5° | 114.0° |
| OAG | CAR | HAR | 112.4° | 110.8° |
| OAH | CAW | CAK | 106.3° | 109.8° |
| OAH | CAW | OAN | 105.1° | 109.9° |
| OAH | CAW | CAV | 111.7° | 109.9° |
| CAW | OAH | HOAH | 109.5° | 114.0° |
| CAJ | CAT | OAN | 97.5° | 110.7° |
| CAJ | CAT | CAR | 96.8° | 110.6° |
| CAT | CAJ | HAJ | 111.1° | 109.4° |
| CAT | CAJ | HAJA | 111.1° | 109.5° |
| CAJ | CAT | HAT | 116.1° | 110.5° |
| CAK | CAW | OAN | 118.8° | 109.9° |
| CAK | CAW | CAV | 106.2° | 110.0° |
| CAW | CAK | HAK | 108.5° | 109.5° |
| CAW | CAK | HAKA | 108.5° | 109.4° |
| CAW | OAN | CAT | 110.3° | 107.0° |
| OAN | CAW | CAV | 108.7° | 107.3° |
| OAN | CAT | CAR | 110.7° | 103.5° |
| OAN | CAT | HAT | 118.0° | 110.6° |
| CAT | CAR | CAV | 101.9° | 102.1° |
| CAT | CAR | HAR | 110.5° | 110.9° |
| CAR | CAT | HAT | 114.6° | 110.7° |
| CAR | CAV | CAW | 103.6° | 104.2° |
| CAV | CAR | HAR | 110.4° | 110.9° |
| CAR | CAV | HAV | 113.3° | 110.5° |
| CAW | CAV | HAV | 113.4° | 110.6° |
| H6A | C6 | H6 | 109.5° | 109.5° |
| HAJ | CAJ | HAJA | 109.5° | 109.5° |
| HAK | CAK | HAKA | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O5 | C2 | 131.3° | 120.0° |
| O1 | C1 | O5 | H1 | 115.0° | 120.0° |
| O1 | C1 | C2 | H1 | 130.2° | 120.0° |
| O1 | C1 | C2 | O2 | 78.1° | 57.5° |
| O1 | C1 | C2 | C3 | 47.1° | 62.4° |
| O1 | C1 | O5 | C5 | 67.1° | 58.8° |
| C1 | O1 | CAV | CAR | 159.7° | 91.5° |
| C1 | O1 | CAV | CAW | 93.2° | 153.8° |
| O1 | C1 | C2 | H2 | 163.7° | 177.7° |
| C1 | O1 | CAV | HAV | 36.6° | 31.1° |
| O5 | C1 | C2 | H1 | 115.5° | 120.0° |
| O5 | C1 | O1 | CAV | 165.7° | 70.0° |
| O5 | C1 | C2 | O2 | 167.7° | 177.5° |
| O5 | C1 | C2 | C3 | 67.1° | 57.6° |
| C1 | O5 | C5 | C4 | 55.8° | 61.2° |
| C1 | O5 | C5 | C6 | 179.6° | 178.9° |
| O5 | C1 | C2 | H2 | 49.4° | 62.3° |
| C1 | O5 | C5 | H5 | 64.7° | 58.8° |
| C2 | C1 | O1 | CAV | 51.5° | 170.0° |
| C1 | C2 | O2 | C3 | 123.6° | 119.7° |
| C1 | C2 | O2 | H2 | 117.0° | 120.2° |
| C1 | C2 | C3 | H2 | 116.8° | 119.9° |
| C1 | C2 | C3 | O3 | 174.4° | 176.8° |
| C1 | C2 | C3 | C4 | 63.2° | 57.0° |
| C2 | C1 | O5 | C5 | 64.2° | 61.2° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3 | 53.8° | 63.0° |
| O1 | CAV | CAR | OAG | 124.3° | 102.3° |
| O1 | CAV | CAW | OAH | 121.9° | 123.9° |
| O1 | CAV | CAW | CAK | 6.4° | 2.9° |
| O1 | CAV | CAW | OAN | 122.6° | 116.7° |
| O1 | CAV | CAR | CAT | 117.1° | 139.5° |
| O1 | CAV | CAR | CAW | 109.6° | 118.7° |
| O1 | CAV | CAR | HAV | 127.2° | 122.5° |
| O1 | CAV | CAW | HAV | 133.0° | 122.6° |
| CAV | O1 | C1 | H1 | 78.2° | 50.1° |
| O1 | CAV | CAR | HAR | 0.3° | 21.3° |
| O2 | C2 | C3 | H2 | 120.7° | 120.1° |
| O2 | C2 | C3 | O3 | 51.9° | 63.2° |
| O2 | C2 | C3 | C4 | 174.2° | 176.9° |
| O2 | C2 | C1 | H1 | 52.1° | 62.5° |
| O2 | C2 | C3 | H3 | 68.8° | 56.9° |
| C2 | C3 | O3 | C4 | 120.4° | 119.6° |
| C2 | C3 | O3 | H3 | 119.1° | 120.2° |
| C2 | C3 | C4 | H3 | 117.0° | 119.9° |
| C2 | C3 | C4 | C5 | 46.7° | 57.0° |
| C2 | C3 | C4 | O4 | 170.2° | 176.9° |
| C3 | C2 | C1 | H1 | 177.3° | 177.6° |
| C3 | C2 | O2 | HO2 | 56.5° | 179.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 68.7° | 62.9° |
| O3 | C3 | C4 | H3 | 122.1° | 120.2° |
| O3 | C3 | C4 | C5 | 167.6° | 176.8° |
| O3 | C3 | C4 | O4 | 68.9° | 63.3° |
| O3 | C3 | C2 | H2 | 68.8° | 56.9° |
| O3 | C3 | C4 | H4 | 52.2° | 57.0° |
| C3 | C4 | C5 | O4 | 124.2° | 119.9° |
| C3 | C4 | C5 | H4 | 115.4° | 119.9° |
| C3 | C4 | O4 | H4 | 119.8° | 120.1° |
| C3 | C4 | C5 | C6 | 160.9° | 177.6° |
| C3 | C4 | C5 | O5 | 41.5° | 57.6° |
| C4 | C3 | C2 | H2 | 53.5° | 63.0° |
| C4 | C3 | O3 | HO3 | 59.6° | 179.5° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | H5 | 79.9° | 62.4° |
| C5 | C4 | O4 | H4 | 119.1° | 120.2° |
| C4 | C5 | C6 | O5 | 125.4° | 119.9° |
| C4 | C5 | C6 | H5 | 118.9° | 120.0° |
| C4 | C5 | O5 | H5 | 120.4° | 120.0° |
| C4 | C5 | C6 | O6 | 67.1° | 175.0° |
| C5 | C4 | C3 | H3 | 70.3° | 62.9° |
| C5 | C4 | O4 | HO4 | 59.0° | 179.7° |
| C4 | C5 | C6 | H6A | 173.0° | 55.1° |
| C4 | C5 | C6 | H6 | 52.9° | 65.0° |
| O4 | C4 | C5 | C6 | 74.9° | 62.6° |
| O4 | C4 | C5 | O5 | 165.7° | 177.5° |
| O4 | C4 | C3 | H3 | 53.2° | 57.0° |
| O4 | C4 | C5 | H5 | 44.3° | 57.5° |
| C6 | C5 | O5 | H5 | 115.0° | 120.1° |
| C5 | C6 | O6 | H6A | 120.0° | 119.9° |
| C5 | C6 | O6 | H6 | 119.9° | 120.0° |
| C6 | C5 | C4 | H4 | 45.5° | 57.7° |
| C5 | C6 | H6A | H6 | 120.1° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 58.3° | 65.1° |
| C5 | O5 | C1 | H1 | 177.8° | 178.8° |
| O5 | C5 | C4 | H4 | 73.9° | 62.2° |
| O5 | C5 | C6 | H6A | 61.7° | 174.9° |
| O5 | C5 | C6 | H6 | 178.3° | 54.9° |
| O6 | C6 | C5 | H5 | 174.1° | 55.0° |
| O6 | C6 | H6A | H6 | 120.2° | 120.0° |
| OAB | CAJ | CAT | HAJ | 119.0° | 119.9° |
| OAB | CAJ | CAT | HAJA | 118.9° | 120.0° |
| OAB | CAJ | CAT | OAN | 165.8° | 66.4° |
| OAB | CAJ | CAT | CAR | 53.8° | 179.5° |
| OAB | CAJ | HAJ | HAJA | 123.0° | 120.1° |
| OAB | CAJ | CAT | HAT | 67.8° | 56.5° |
| OAC | CAK | CAW | OAH | 120.3° | 59.3° |
| OAC | CAK | CAW | HAK | 120.6° | 120.0° |
| OAC | CAK | CAW | HAKA | 120.5° | 120.0° |
| OAC | CAK | CAW | OAN | 2.2° | 61.7° |
| OAC | CAK | CAW | CAV | 120.6° | 179.6° |
| OAC | CAK | HAK | HAKA | 118.3° | 120.0° |
| OAG | CAR | CAT | CAJ | 148.2° | 86.3° |
| OAG | CAR | CAT | OAN | 111.1° | 155.2° |
| OAG | CAR | CAT | CAV | 116.6° | 118.2° |
| OAG | CAR | CAT | HAR | 126.1° | 123.6° |
| OAG | CAR | CAV | HAR | 124.0° | 123.6° |
| OAG | CAR | CAV | CAW | 126.1° | 139.1° |
| OAG | CAR | CAT | HAT | 25.4° | 36.6° |
| OAG | CAR | CAV | HAV | 2.9° | 20.3° |
| OAH | CAW | CAK | OAN | 118.1° | 121.0° |
| OAH | CAW | CAK | CAV | 119.1° | 121.1° |
| OAH | CAW | OAN | CAV | 119.7° | 119.4° |
| OAH | CAW | OAN | CAT | 143.0° | 92.9° |
| OAH | CAW | CAV | CAR | 134.2° | 117.4° |
| OAH | CAW | CAK | HAK | 0.2° | 60.7° |
| OAH | CAW | CAK | HAKA | 119.1° | 179.3° |
| OAH | CAW | CAV | HAV | 11.0° | 1.3° |
| CAJ | CAT | OAN | CAW | 81.9° | 158.5° |
| CAJ | CAT | OAN | CAR | 100.2° | 118.5° |
| CAJ | CAT | OAN | HAT | 124.9° | 122.8° |
| CAJ | CAT | CAR | HAT | 122.8° | 122.9° |
| CAJ | CAT | CAR | CAV | 95.3° | 155.5° |
| CAT | CAJ | OAB | HOAB | 180.0° | 180.0° |
| CAT | CAJ | HAJ | HAJA | 123.0° | 120.0° |
| CAJ | CAT | CAR | HAR | 22.1° | 37.3° |
| CAK | CAW | OAN | CAV | 121.5° | 119.6° |
| CAK | CAW | OAN | CAT | 98.2° | 146.1° |
| CAK | CAW | CAV | CAR | 110.3° | 121.6° |
| CAW | CAK | OAC | HOAC | 180.0° | 180.0° |
| CAK | CAW | OAH | HOAH | 180.0° | 59.3° |
| CAW | CAK | HAK | HAKA | 118.3° | 120.0° |
| CAK | CAW | CAV | HAV | 126.5° | 119.7° |
| CAW | OAN | CAT | CAR | 18.3° | 40.0° |
| OAN | CAW | CAV | CAR | 18.7° | 2.0° |
| OAN | CAW | OAH | HOAH | 53.2° | 61.7° |
| OAN | CAW | CAK | HAK | 118.3° | 178.3° |
| OAN | CAW | CAK | HAKA | 122.7° | 58.3° |
| CAW | OAN | CAT | HAT | 153.2° | 78.6° |
| OAN | CAW | CAV | HAV | 104.5° | 120.7° |
| OAN | CAT | CAR | HAT | 136.5° | 118.5° |
| OAN | CAT | CAR | CAV | 5.4° | 37.0° |
| CAT | OAN | CAW | CAV | 23.4° | 26.5° |
| OAN | CAT | CAJ | HAJ | 75.2° | 53.5° |
| OAN | CAT | CAJ | HAJA | 46.9° | 173.5° |
| OAN | CAT | CAR | HAR | 122.8° | 81.2° |
| CAT | CAR | CAV | HAR | 117.4° | 118.2° |
| CAT | CAR | CAV | CAW | 7.5° | 20.9° |
| CAT | CAR | OAG | HOAG | 180.0° | 61.5° |
| CAR | CAT | CAJ | HAJ | 172.8° | 60.6° |
| CAR | CAT | CAJ | HAJA | 65.1° | 59.4° |
| CAT | CAR | CAV | HAV | 115.7° | 97.9° |
| CAR | CAV | CAW | HAV | 123.2° | 118.7° |
| CAV | CAR | OAG | HOAG | 67.9° | 174.2° |
| CAV | CAR | CAT | HAT | 142.0° | 81.6° |
| CAV | CAW | OAH | HOAH | 64.6° | 179.5° |
| CAV | CAW | CAK | HAK | 118.8° | 60.4° |
| CAV | CAW | CAK | HAKA | 0.1° | 59.7° |
| CAW | CAV | CAR | HAR | 109.9° | 97.3° |
| H1 | C1 | C2 | H2 | 66.1° | 57.7° |
| H2 | C2 | O2 | HO2 | 63.0° | 60.2° |
| H2 | C2 | C3 | H3 | 170.5° | 177.1° |
| H3 | C3 | O3 | HO3 | 61.0° | 60.2° |
| H3 | C3 | C4 | H4 | 174.3° | 177.2° |
| H4 | C4 | O4 | HO4 | 60.1° | 60.1° |
| H4 | C4 | C5 | H5 | 164.7° | 177.8° |
| H5 | C5 | C6 | H6A | 54.1° | 65.0° |
| H5 | C5 | C6 | H6 | 66.0° | 175.0° |
| H6A | C6 | O6 | HO6 | 60.1° | 60.0° |
| H6 | C6 | O6 | HO6 | 60.1° | 60.0° |
| HOAB | OAB | CAJ | HAJ | 61.0° | 60.1° |
| HOAB | OAB | CAJ | HAJA | 61.1° | 60.0° |
| HOAC | OAC | CAK | HAK | 59.5° | 60.0° |
| HOAC | OAC | CAK | HAKA | 59.5° | 60.0° |
| HOAG | OAG | CAR | HAR | 55.0° | 62.1° |
| HAJ | CAJ | CAT | HAT | 51.1° | 176.4° |
| HAJA | CAJ | CAT | HAT | 173.2° | 63.6° |
| HAR | CAR | CAT | HAT | 100.7° | 160.2° |
| HAR | CAR | CAV | HAV | 126.9° | 143.9° |
