OTU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O5 | sing | 1.43Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.59Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | C1 | sing | 1.43Å | 1.46Å | |
| C2 | O2 | sing | 1.43Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.46Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | O4 | sing | 1.43Å | 1.32Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | C5 | sing | 1.43Å | 1.39Å | |
| C6 | C5 | sing | 1.53Å | 1.60Å | |
| C6 | O6 | sing | 1.43Å | 1.45Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| OAB | CAJ | sing | 1.43Å | 1.48Å | |
| OAC | CAK | sing | 1.43Å | 1.42Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| OAG | CAS | sing | 1.43Å | 1.41Å | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| CAJ | CAO | sing | 1.51Å | 1.54Å | |
| CAK | CAP | sing | 1.53Å | 1.53Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAO | OAA | doub | 1.21Å | 1.24Å | |
| CAO | CAW | sing | 1.51Å | 1.54Å | |
| CAP | OAE | sing | 1.43Å | 1.44Å | |
| CAP | CAS | sing | 1.53Å | 1.50Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAS | CAW | sing | 1.53Å | 1.50Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAW | O1 | sing | 1.43Å | 1.49Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| OAB | H20 | sing | 0.97Å | 0.95Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C1 | C2 | 100.4° | 109.4° |
| O5 | C1 | H1 | 107.5° | 109.5° |
| O5 | C1 | O1 | 120.3° | 109.5° |
| C1 | O5 | C5 | 117.5° | 114.1° |
| C2 | C1 | H1 | 122.0° | 109.5° |
| C2 | C1 | O1 | 105.2° | 109.5° |
| C1 | C2 | O2 | 111.6° | 109.5° |
| C1 | C2 | C3 | 109.5° | 109.2° |
| C1 | C2 | H2 | 107.4° | 109.5° |
| H1 | C1 | O1 | 102.8° | 109.5° |
| C1 | O1 | CAW | 115.4° | 114.0° |
| O2 | C2 | C3 | 107.5° | 109.5° |
| O2 | C2 | H2 | 109.4° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C2 | H2 | 111.5° | 109.6° |
| C2 | C3 | O3 | 112.5° | 109.6° |
| C2 | C3 | H3 | 110.5° | 109.5° |
| C2 | C3 | C4 | 106.5° | 109.0° |
| O3 | C3 | H3 | 104.6° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O3 | C3 | C4 | 112.1° | 109.5° |
| H3 | C3 | C4 | 110.8° | 109.6° |
| C3 | C4 | O4 | 107.4° | 109.5° |
| C3 | C4 | H4 | 105.2° | 109.6° |
| C3 | C4 | C5 | 114.1° | 109.1° |
| O4 | C4 | H4 | 118.6° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O4 | C4 | C5 | 99.4° | 109.5° |
| H4 | C4 | C5 | 112.4° | 109.5° |
| C4 | C5 | H5 | 106.5° | 109.4° |
| C4 | C5 | O5 | 107.9° | 109.4° |
| C4 | C5 | C6 | 111.0° | 109.4° |
| H5 | C5 | O5 | 118.0° | 109.5° |
| H5 | C5 | C6 | 115.3° | 109.5° |
| O5 | C5 | C6 | 98.0° | 109.5° |
| C5 | C6 | O6 | 112.7° | 109.4° |
| C5 | C6 | H61 | 108.4° | 109.5° |
| C5 | C6 | H62 | 108.4° | 109.5° |
| O6 | C6 | H61 | 108.4° | 109.4° |
| O6 | C6 | H62 | 108.4° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 110.5° | 109.5° |
| OAB | CAJ | CAO | 116.5° | 109.4° |
| CAJ | OAB | H20 | 109.5° | 114.0° |
| OAB | CAJ | HAJ | 107.2° | 109.4° |
| OAB | CAJ | H22 | 107.2° | 109.5° |
| CAK | OAC | HOAC | 109.5° | 114.1° |
| OAC | CAK | CAP | 109.9° | 109.5° |
| OAC | CAK | HAK | 109.4° | 109.5° |
| OAC | CAK | HAKA | 109.4° | 109.5° |
| HOAE | OAE | CAP | 109.5° | 114.0° |
| CAS | OAG | HOAG | 109.5° | 114.0° |
| OAG | CAS | CAP | 116.2° | 109.4° |
| OAG | CAS | CAW | 107.1° | 109.5° |
| OAG | CAS | HAS | 106.4° | 109.5° |
| CAJ | CAO | OAA | 119.2° | 120.0° |
| CAJ | CAO | CAW | 124.4° | 120.0° |
| CAO | CAJ | HAJ | 107.2° | 109.5° |
| CAO | CAJ | H22 | 107.2° | 109.5° |
| CAP | CAK | HAK | 109.3° | 109.5° |
| CAP | CAK | HAKA | 109.3° | 109.4° |
| CAK | CAP | OAE | 112.6° | 109.5° |
| CAK | CAP | CAS | 112.1° | 109.5° |
| CAK | CAP | HAP | 103.6° | 109.5° |
| HAK | CAK | HAKA | 109.6° | 109.5° |
| OAA | CAO | CAW | 116.4° | 120.0° |
| CAO | CAW | CAS | 117.7° | 109.5° |
| CAO | CAW | O1 | 118.3° | 109.5° |
| CAO | CAW | HAW | 93.4° | 109.4° |
| OAE | CAP | CAS | 102.7° | 109.4° |
| OAE | CAP | HAP | 112.9° | 109.5° |
| CAS | CAP | HAP | 113.3° | 109.5° |
| CAP | CAS | CAW | 109.2° | 109.5° |
| CAP | CAS | HAS | 104.2° | 109.5° |
| CAW | CAS | HAS | 113.8° | 109.5° |
| CAS | CAW | O1 | 91.2° | 109.5° |
| CAS | CAW | HAW | 119.6° | 109.5° |
| O1 | CAW | HAW | 119.1° | 109.5° |
| HAJ | CAJ | H22 | 111.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C1 | C2 | H1 | 118.3° | 120.0° |
| O5 | C1 | C2 | O1 | 125.5° | 120.0° |
| O5 | C1 | H1 | O1 | 127.9° | 120.0° |
| O5 | C1 | C2 | O2 | 176.0° | 177.5° |
| O5 | C1 | C2 | C3 | 65.1° | 57.6° |
| O5 | C1 | C2 | H2 | 56.1° | 62.4° |
| C1 | O5 | C5 | C4 | 62.9° | 61.1° |
| C1 | O5 | C5 | H5 | 57.7° | 58.8° |
| C1 | O5 | C5 | C6 | 178.1° | 178.9° |
| O5 | C1 | O1 | CAW | 49.9° | 71.2° |
| C2 | C1 | H1 | O1 | 117.3° | 120.0° |
| C1 | C2 | O2 | C3 | 120.1° | 119.7° |
| C1 | C2 | O2 | H2 | 118.7° | 120.1° |
| C1 | C2 | C3 | H2 | 118.7° | 119.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.1° |
| C1 | C2 | C3 | O3 | 176.7° | 176.8° |
| C1 | C2 | C3 | H3 | 60.3° | 63.0° |
| C1 | C2 | C3 | C4 | 60.1° | 57.0° |
| C2 | C1 | O5 | C5 | 69.6° | 61.2° |
| C2 | C1 | O1 | CAW | 161.9° | 168.8° |
| H1 | C1 | C2 | O2 | 57.6° | 62.5° |
| H1 | C1 | C2 | C3 | 176.6° | 177.6° |
| H1 | C1 | C2 | H2 | 62.2° | 57.6° |
| H1 | C1 | O5 | C5 | 161.9° | 178.8° |
| H1 | C1 | O1 | CAW | 69.4° | 48.8° |
| O1 | C1 | C2 | O2 | 58.5° | 57.5° |
| O1 | C1 | C2 | C3 | 60.4° | 62.4° |
| O1 | C1 | C2 | H2 | 178.4° | 177.6° |
| O1 | C1 | O5 | C5 | 45.0° | 58.8° |
| C1 | O1 | CAW | CAO | 150.3° | 121.3° |
| C1 | O1 | CAW | CAS | 87.1° | 118.7° |
| C1 | O1 | CAW | HAW | 38.2° | 1.4° |
| O2 | C2 | C3 | H2 | 119.9° | 120.1° |
| O2 | C2 | C3 | O3 | 55.4° | 63.2° |
| O2 | C2 | C3 | H3 | 61.0° | 56.9° |
| O2 | C2 | C3 | C4 | 178.6° | 176.9° |
| C3 | C2 | O2 | HO2 | 59.9° | 179.7° |
| C2 | C3 | O3 | H3 | 119.9° | 120.2° |
| C2 | C3 | O3 | C4 | 120.0° | 119.6° |
| C2 | C3 | H3 | C4 | 117.7° | 119.6° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | O4 | 160.8° | 176.9° |
| C2 | C3 | C4 | H4 | 72.1° | 63.0° |
| C2 | C3 | C4 | C5 | 51.6° | 57.0° |
| H2 | C2 | O2 | HO2 | 61.3° | 60.1° |
| H2 | C2 | C3 | O3 | 64.5° | 56.9° |
| H2 | C2 | C3 | H3 | 179.1° | 177.1° |
| H2 | C2 | C3 | C4 | 58.7° | 63.0° |
| O3 | C3 | H3 | C4 | 121.0° | 120.2° |
| O3 | C3 | C4 | O4 | 75.9° | 63.3° |
| O3 | C3 | C4 | H4 | 51.3° | 56.9° |
| O3 | C3 | C4 | C5 | 175.0° | 176.8° |
| H3 | C3 | O3 | HO3 | 60.1° | 60.2° |
| H3 | C3 | C4 | O4 | 40.6° | 57.0° |
| H3 | C3 | C4 | H4 | 167.8° | 177.2° |
| H3 | C3 | C4 | C5 | 68.6° | 62.9° |
| HO3 | O3 | C3 | C4 | 60.1° | 179.5° |
| C3 | C4 | O4 | H4 | 118.9° | 120.2° |
| C3 | C4 | O4 | C5 | 119.1° | 119.7° |
| C3 | C4 | H4 | C5 | 124.7° | 119.7° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | H5 | 77.1° | 62.4° |
| C3 | C4 | C5 | O5 | 50.5° | 57.6° |
| C3 | C4 | C5 | C6 | 156.7° | 177.6° |
| O4 | C4 | H4 | C5 | 115.3° | 120.2° |
| O4 | C4 | C5 | H5 | 36.9° | 57.5° |
| O4 | C4 | C5 | O5 | 164.5° | 177.5° |
| O4 | C4 | C5 | C6 | 89.3° | 62.5° |
| H4 | C4 | O4 | HO4 | 61.1° | 60.1° |
| H4 | C4 | C5 | H5 | 163.3° | 177.6° |
| H4 | C4 | C5 | O5 | 69.2° | 62.4° |
| H4 | C4 | C5 | C6 | 37.1° | 57.7° |
| HO4 | O4 | C4 | C5 | 60.9° | 179.7° |
| C4 | C5 | H5 | O5 | 121.3° | 119.9° |
| C4 | C5 | H5 | C6 | 123.6° | 120.0° |
| C4 | C5 | O5 | C6 | 115.2° | 120.0° |
| C4 | C5 | C6 | O6 | 73.1° | 175.0° |
| C4 | C5 | C6 | H61 | 166.9° | 55.0° |
| C4 | C5 | C6 | H62 | 46.9° | 65.0° |
| H5 | C5 | O5 | C6 | 124.2° | 120.1° |
| H5 | C5 | C6 | O6 | 165.8° | 55.0° |
| H5 | C5 | C6 | H61 | 45.8° | 64.9° |
| H5 | C5 | C6 | H62 | 74.2° | 175.0° |
| O5 | C5 | C6 | O6 | 39.6° | 65.1° |
| O5 | C5 | C6 | H61 | 80.4° | 175.0° |
| O5 | C5 | C6 | H62 | 159.6° | 54.9° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 118.7° | 120.1° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O6 | C6 | H61 | H62 | 118.6° | 120.0° |
| H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.0° | 59.9° |
| OAB | CAJ | CAO | HAJ | 120.0° | 119.9° |
| OAB | CAJ | CAO | H22 | 120.0° | 120.0° |
| OAB | CAJ | CAO | OAA | 43.6° | 0.0° |
| OAB | CAJ | CAO | CAW | 138.4° | 179.9° |
| OAB | CAJ | HAJ | H22 | 117.1° | 120.0° |
| OAC | CAK | CAP | HAK | 120.0° | 120.1° |
| OAC | CAK | CAP | HAKA | 120.0° | 119.9° |
| OAC | CAK | HAK | HAKA | 119.9° | 120.0° |
| OAC | CAK | CAP | OAE | 107.4° | 65.1° |
| OAC | CAK | CAP | CAS | 137.3° | 175.0° |
| OAC | CAK | CAP | HAP | 14.8° | 55.0° |
| HOAC | OAC | CAK | CAP | 180.0° | 180.0° |
| HOAC | OAC | CAK | HAK | 60.0° | 59.9° |
| HOAC | OAC | CAK | HAKA | 60.0° | 60.1° |
| HOAE | OAE | CAP | CAK | 180.0° | 59.9° |
| HOAE | OAE | CAP | CAS | 59.2° | 60.1° |
| HOAE | OAE | CAP | HAP | 63.2° | 180.0° |
| OAG | CAS | CAP | CAK | 47.6° | 60.0° |
| OAG | CAS | CAW | CAO | 131.6° | 55.1° |
| OAG | CAS | CAP | OAE | 168.7° | 180.0° |
| OAG | CAS | CAP | CAW | 121.3° | 120.0° |
| OAG | CAS | CAP | HAS | 116.7° | 120.0° |
| OAG | CAS | CAP | HAP | 69.2° | 60.0° |
| OAG | CAS | CAW | HAS | 117.3° | 120.0° |
| OAG | CAS | CAW | O1 | 105.3° | 65.0° |
| OAG | CAS | CAW | HAW | 19.5° | 175.0° |
| HOAG | OAG | CAS | CAP | 180.0° | 60.1° |
| HOAG | OAG | CAS | CAW | 57.6° | 59.9° |
| HOAG | OAG | CAS | HAS | 64.5° | 180.0° |
| CAJ | CAO | OAA | CAW | 178.1° | 179.9° |
| CAJ | CAO | CAW | CAS | 31.8° | 78.2° |
| CAJ | CAO | CAW | O1 | 139.8° | 161.7° |
| CAJ | CAO | CAW | HAW | 94.4° | 41.8° |
| CAO | CAJ | OAB | H20 | 18.2° | 180.0° |
| CAO | CAJ | HAJ | H22 | 117.2° | 120.1° |
| CAP | CAK | HAK | HAKA | 119.8° | 119.9° |
| CAK | CAP | OAE | CAS | 120.8° | 120.0° |
| CAK | CAP | OAE | HAP | 116.8° | 120.1° |
| CAK | CAP | CAS | HAP | 116.8° | 120.1° |
| CAK | CAP | CAS | CAW | 168.9° | 180.0° |
| CAK | CAP | CAS | HAS | 69.1° | 59.9° |
| HAK | CAK | CAP | OAE | 12.6° | 55.0° |
| HAK | CAK | CAP | CAS | 102.7° | 64.9° |
| HAK | CAK | CAP | HAP | 134.8° | 175.0° |
| HAKA | CAK | CAP | OAE | 132.6° | 175.0° |
| HAKA | CAK | CAP | CAS | 17.3° | 55.0° |
| HAKA | CAK | CAP | HAP | 105.2° | 65.0° |
| OAA | CAO | CAW | CAS | 150.2° | 101.8° |
| OAA | CAO | CAW | O1 | 42.2° | 18.3° |
| OAA | CAO | CAW | HAW | 83.6° | 138.2° |
| OAA | CAO | CAJ | HAJ | 163.6° | 119.9° |
| OAA | CAO | CAJ | H22 | 76.4° | 120.0° |
| CAO | CAW | CAS | CAP | 4.9° | 175.0° |
| CAO | CAW | CAS | O1 | 123.1° | 120.0° |
| CAO | CAW | CAS | HAW | 112.1° | 119.9° |
| CAO | CAW | CAS | HAS | 111.1° | 65.0° |
| CAO | CAW | O1 | HAW | 112.1° | 119.9° |
| CAW | CAO | CAJ | HAJ | 18.4° | 60.0° |
| CAW | CAO | CAJ | H22 | 101.6° | 60.0° |
| OAE | CAP | CAS | HAP | 122.1° | 120.0° |
| OAE | CAP | CAS | CAW | 69.9° | 60.0° |
| OAE | CAP | CAS | HAS | 52.0° | 60.0° |
| CAP | CAS | CAW | HAS | 116.0° | 120.0° |
| CAP | CAS | CAW | O1 | 128.0° | 55.0° |
| CAP | CAS | CAW | HAW | 107.2° | 65.0° |
| HAP | CAP | CAS | CAW | 52.1° | 59.9° |
| HAP | CAP | CAS | HAS | 174.1° | 180.0° |
| CAS | CAW | O1 | HAW | 125.3° | 120.0° |
| HAS | CAS | CAW | O1 | 12.0° | 175.0° |
| HAS | CAS | CAW | HAW | 136.8° | 55.0° |
| H20 | OAB | CAJ | HAJ | 138.2° | 60.0° |
| H20 | OAB | CAJ | H22 | 101.8° | 59.9° |
