Obsolete: DR5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| O5 | C1 | sing | 1.43Å | 1.44Å | |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| O1 | CAX | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| CAU | CAJ | sing | 1.53Å | 1.53Å | |
| CAU | CAX | sing | 1.53Å | 1.52Å | |
| CAU | OAM | sing | 1.43Å | 1.44Å | |
| CAA | OAK | sing | 1.43Å | 1.43Å | |
| CAS | CAX | sing | 1.53Å | 1.53Å | |
| CAS | OAH | sing | 1.43Å | 1.43Å | |
| CAS | CAR | sing | 1.53Å | 1.53Å | |
| CAV | OAM | sing | 1.43Å | 1.44Å | |
| CAV | CAR | sing | 1.53Å | 1.53Å | |
| CAV | OAK | sing | 1.43Å | 1.44Å | |
| CAJ | OAC | sing | 1.43Å | 1.43Å | |
| OAG | CAR | sing | 1.43Å | 1.43Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| OAH | HAH | sing | 0.97Å | 0.95Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| OAG | HAG | sing | 0.97Å | 0.95Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C5 | 109.2° | 109.5° |
| O4 | C4 | C3 | 109.0° | 109.5° |
| O4 | C4 | H4 | 110.8° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O6 | C6 | C5 | 109.2° | 109.5° |
| O6 | C6 | H61 | 109.5° | 109.4° |
| O6 | C6 | H62 | 109.6° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C6 | C5 | O5 | 109.3° | 109.5° |
| C6 | C5 | C4 | 110.7° | 109.5° |
| C6 | C5 | H5 | 108.8° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| C5 | O5 | C1 | 112.2° | 114.1° |
| O5 | C5 | C4 | 109.3° | 109.4° |
| O5 | C5 | H5 | 110.0° | 109.5° |
| O5 | C1 | O1 | 108.7° | 109.5° |
| O5 | C1 | C2 | 109.3° | 109.4° |
| O5 | C1 | H1 | 110.3° | 109.5° |
| C1 | O1 | CAX | 112.7° | 114.0° |
| O1 | C1 | C2 | 109.0° | 109.5° |
| O1 | C1 | H1 | 110.4° | 109.5° |
| O1 | CAX | CAU | 108.5° | 109.5° |
| O1 | CAX | CAS | 112.5° | 109.5° |
| O1 | CAX | HAX | 110.0° | 109.5° |
| C5 | C4 | C3 | 109.2° | 109.2° |
| C5 | C4 | H4 | 109.3° | 109.5° |
| C4 | C5 | H5 | 108.7° | 109.5° |
| C4 | C3 | C2 | 110.0° | 109.0° |
| C4 | C3 | O3 | 109.3° | 109.6° |
| C4 | C3 | H3 | 108.9° | 109.5° |
| C3 | C4 | H4 | 109.4° | 109.5° |
| C1 | C2 | C3 | 110.2° | 109.2° |
| C1 | C2 | O2 | 110.1° | 109.5° |
| C1 | C2 | H2 | 108.4° | 109.5° |
| C2 | C1 | H1 | 109.0° | 109.5° |
| C3 | C2 | O2 | 110.0° | 109.5° |
| C2 | C3 | O3 | 109.3° | 109.6° |
| C3 | C2 | H2 | 108.4° | 109.6° |
| C2 | C3 | H3 | 108.9° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O2 | C2 | H2 | 109.7° | 109.5° |
| O3 | C3 | H3 | 110.3° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| CAJ | CAU | CAX | 109.9° | 109.5° |
| CAJ | CAU | OAM | 109.5° | 109.5° |
| CAU | CAJ | OAC | 109.8° | 109.5° |
| CAJ | CAU | HAU | 108.3° | 109.5° |
| CAU | CAJ | HAJ1 | 109.4° | 109.5° |
| CAU | CAJ | HAJ2 | 109.4° | 109.5° |
| CAX | CAU | OAM | 111.2° | 109.4° |
| CAU | CAX | CAS | 108.3° | 109.2° |
| CAU | CAX | HAX | 108.8° | 109.5° |
| CAX | CAU | HAU | 108.4° | 109.5° |
| CAU | OAM | CAV | 111.7° | 114.1° |
| OAM | CAU | HAU | 109.5° | 109.5° |
| CAA | OAK | CAV | 109.7° | 114.0° |
| OAK | CAA | HAA1 | 109.5° | 109.5° |
| OAK | CAA | HAA2 | 109.5° | 109.5° |
| OAK | CAA | HAA3 | 109.5° | 109.5° |
| CAX | CAS | OAH | 109.8° | 109.5° |
| CAX | CAS | CAR | 110.9° | 109.0° |
| CAS | CAX | HAX | 108.7° | 109.5° |
| CAX | CAS | HAS | 108.7° | 109.5° |
| OAH | CAS | CAR | 108.4° | 109.6° |
| OAH | CAS | HAS | 110.2° | 109.6° |
| CAS | OAH | HAH | 109.5° | 114.0° |
| CAS | CAR | CAV | 109.6° | 109.2° |
| CAS | CAR | OAG | 109.4° | 109.6° |
| CAR | CAS | HAS | 108.8° | 109.6° |
| CAS | CAR | HAR | 109.1° | 109.5° |
| OAM | CAV | CAR | 108.5° | 109.4° |
| OAM | CAV | OAK | 110.1° | 109.5° |
| OAM | CAV | HAV | 110.0° | 109.4° |
| CAR | CAV | OAK | 109.4° | 109.5° |
| CAV | CAR | OAG | 109.3° | 109.5° |
| CAV | CAR | HAR | 109.1° | 109.5° |
| CAR | CAV | HAV | 108.8° | 109.5° |
| OAK | CAV | HAV | 110.1° | 109.5° |
| OAC | CAJ | HAJ1 | 109.4° | 109.5° |
| OAC | CAJ | HAJ2 | 109.4° | 109.5° |
| CAJ | OAC | HAC | 109.5° | 114.0° |
| OAG | CAR | HAR | 110.5° | 109.5° |
| CAR | OAG | HAG | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| HAA1 | CAA | HAA2 | 109.4° | 109.5° |
| HAA1 | CAA | HAA3 | 109.4° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.4° |
| HAJ1 | CAJ | HAJ2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C5 | C6 | 60.2° | 57.7° |
| O4 | C4 | C5 | O5 | 60.3° | 62.3° |
| O4 | C4 | C5 | C3 | 119.0° | 119.9° |
| O4 | C4 | C5 | H4 | 121.4° | 120.2° |
| O4 | C4 | C3 | H4 | 121.2° | 120.2° |
| O4 | C4 | C3 | C2 | 64.6° | 62.9° |
| O4 | C4 | C3 | O3 | 55.5° | 57.0° |
| O4 | C4 | C3 | H3 | 176.1° | 177.2° |
| O4 | C4 | C5 | H5 | 179.6° | 177.7° |
| O6 | C6 | C5 | H61 | 119.9° | 120.0° |
| O6 | C6 | C5 | H62 | 120.0° | 120.1° |
| O6 | C6 | C5 | O5 | 58.7° | 65.1° |
| O6 | C6 | C5 | C4 | 179.1° | 175.0° |
| O6 | C6 | C5 | H5 | 61.5° | 54.9° |
| O6 | C6 | H61 | H62 | 120.2° | 120.0° |
| C6 | C5 | O5 | C4 | 121.3° | 120.0° |
| C6 | C5 | O5 | H5 | 119.4° | 120.0° |
| C6 | C5 | O5 | C1 | 174.5° | 178.8° |
| C6 | C5 | C4 | H5 | 119.4° | 120.1° |
| C6 | C5 | C4 | C3 | 179.2° | 177.6° |
| C6 | C5 | C4 | H4 | 61.2° | 62.5° |
| C5 | C6 | H61 | H62 | 120.1° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C5 | O5 | C1 | O1 | 178.3° | 178.9° |
| O5 | C5 | C4 | H5 | 120.1° | 120.0° |
| O5 | C5 | C4 | C3 | 58.7° | 57.6° |
| C5 | O5 | C1 | C2 | 62.8° | 61.1° |
| O5 | C5 | C4 | H4 | 178.3° | 177.5° |
| O5 | C5 | C6 | H61 | 61.3° | 174.9° |
| O5 | C5 | C6 | H62 | 178.6° | 55.0° |
| C5 | O5 | C1 | H1 | 57.1° | 58.8° |
| O5 | C1 | O1 | C2 | 119.1° | 119.9° |
| O5 | C1 | O1 | H1 | 121.2° | 120.0° |
| O5 | C1 | O1 | CAX | 82.9° | 65.0° |
| C1 | O5 | C5 | C4 | 64.1° | 61.2° |
| O5 | C1 | C2 | H1 | 120.7° | 120.0° |
| O5 | C1 | C2 | C3 | 56.7° | 57.6° |
| O5 | C1 | C2 | O2 | 178.2° | 177.5° |
| O5 | C1 | C2 | H2 | 61.7° | 62.4° |
| C1 | O5 | C5 | H5 | 55.2° | 58.8° |
| O1 | C1 | C2 | H1 | 120.6° | 120.0° |
| O1 | C1 | C2 | C3 | 175.4° | 177.6° |
| O1 | C1 | C2 | O2 | 63.0° | 62.5° |
| C1 | O1 | CAX | CAU | 169.6° | 150.3° |
| C1 | O1 | CAX | CAS | 70.6° | 90.0° |
| O1 | C1 | C2 | H2 | 57.0° | 57.6° |
| C1 | O1 | CAX | HAX | 50.8° | 30.1° |
| CAX | O1 | C1 | C2 | 158.0° | 175.0° |
| O1 | CAX | CAU | CAJ | 59.6° | 62.5° |
| O1 | CAX | CAU | CAS | 122.4° | 119.9° |
| O1 | CAX | CAU | HAX | 119.6° | 120.1° |
| O1 | CAX | CAU | OAM | 179.0° | 177.6° |
| O1 | CAX | CAS | HAX | 122.0° | 120.2° |
| O1 | CAX | CAS | OAH | 67.2° | 63.2° |
| O1 | CAX | CAS | CAR | 173.0° | 176.9° |
| CAX | O1 | C1 | H1 | 38.3° | 55.0° |
| O1 | CAX | CAS | HAS | 53.4° | 57.1° |
| O1 | CAX | CAU | HAU | 58.5° | 57.5° |
| C5 | C4 | C3 | H4 | 119.6° | 119.9° |
| C5 | C4 | C3 | C2 | 54.6° | 57.0° |
| C5 | C4 | C3 | O3 | 174.7° | 176.9° |
| C5 | C4 | C3 | H3 | 64.7° | 62.9° |
| C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C4 | C5 | C6 | H61 | 59.2° | 55.0° |
| C4 | C5 | C6 | H62 | 60.9° | 64.9° |
| C4 | C3 | C2 | C1 | 53.9° | 57.0° |
| C4 | C3 | C2 | O3 | 120.1° | 120.0° |
| C4 | C3 | C2 | H3 | 119.3° | 119.9° |
| C4 | C3 | C2 | O2 | 175.5° | 176.9° |
| C4 | C3 | O3 | H3 | 119.7° | 120.2° |
| C4 | C3 | C2 | H2 | 64.5° | 63.0° |
| C4 | C3 | O3 | HO3 | 180.0° | 179.5° |
| C3 | C4 | O4 | HO4 | 60.8° | 60.3° |
| C3 | C4 | C5 | H5 | 61.4° | 62.3° |
| C1 | C2 | C3 | O2 | 121.6° | 119.9° |
| C1 | C2 | C3 | H2 | 118.4° | 119.9° |
| C1 | C2 | O2 | H2 | 119.2° | 120.1° |
| C1 | C2 | C3 | O3 | 174.0° | 177.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3 | 65.4° | 62.9° |
| C3 | C2 | O2 | H2 | 119.2° | 120.2° |
| C2 | C3 | O3 | H3 | 119.8° | 120.2° |
| C3 | C2 | O2 | HO2 | 58.4° | 179.7° |
| C2 | C3 | O3 | HO3 | 59.5° | 59.9° |
| C2 | C3 | C4 | H4 | 174.2° | 176.9° |
| C3 | C2 | C1 | H1 | 64.0° | 62.4° |
| O2 | C2 | C3 | O3 | 64.4° | 63.1° |
| O2 | C2 | C3 | H3 | 56.2° | 57.0° |
| O2 | C2 | C1 | H1 | 57.5° | 57.5° |
| O3 | C3 | C2 | H2 | 55.6° | 57.0° |
| O3 | C3 | C4 | H4 | 65.7° | 63.2° |
| CAJ | CAU | CAX | OAM | 121.4° | 120.0° |
| CAJ | CAU | CAX | HAU | 118.2° | 120.0° |
| CAJ | CAU | OAM | HAU | 118.6° | 120.0° |
| CAJ | CAU | CAX | CAS | 177.9° | 177.6° |
| CAJ | CAU | OAM | CAV | 174.6° | 178.8° |
| CAU | CAJ | OAC | HAJ1 | 120.0° | 120.0° |
| CAU | CAJ | OAC | HAJ2 | 120.0° | 120.0° |
| CAJ | CAU | CAX | HAX | 59.9° | 57.7° |
| CAU | CAJ | HAJ1 | HAJ2 | 119.8° | 120.0° |
| CAU | CAJ | OAC | HAC | 180.0° | 180.0° |
| CAX | CAU | OAM | HAU | 119.7° | 120.0° |
| CAU | CAX | CAS | HAX | 118.0° | 119.9° |
| CAU | CAX | CAS | OAH | 172.9° | 176.9° |
| CAU | CAX | CAS | CAR | 53.1° | 57.0° |
| CAX | CAU | OAM | CAV | 63.8° | 61.2° |
| CAX | CAU | CAJ | OAC | 59.4° | 175.0° |
| CAU | CAX | CAS | HAS | 66.5° | 62.9° |
| CAX | CAU | CAJ | HAJ1 | 179.4° | 55.0° |
| CAX | CAU | CAJ | HAJ2 | 60.7° | 65.0° |
| OAM | CAU | CAX | CAS | 56.5° | 57.6° |
| CAU | OAM | CAV | CAR | 63.7° | 61.2° |
| CAU | OAM | CAV | OAK | 176.7° | 178.8° |
| OAM | CAU | CAJ | OAC | 63.0° | 65.1° |
| OAM | CAU | CAX | HAX | 61.5° | 62.3° |
| CAU | OAM | CAV | HAV | 55.2° | 58.8° |
| OAM | CAU | CAJ | HAJ1 | 57.1° | 174.9° |
| OAM | CAU | CAJ | HAJ2 | 177.0° | 54.9° |
| CAA | OAK | CAV | OAM | 72.1° | 65.0° |
| CAA | OAK | CAV | CAR | 168.9° | 175.0° |
| CAA | OAK | CAV | HAV | 49.3° | 54.9° |
| OAK | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| OAK | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| OAK | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAX | CAS | OAH | CAR | 121.3° | 119.5° |
| CAX | CAS | OAH | HAS | 119.7° | 120.2° |
| CAX | CAS | CAR | HAS | 119.6° | 119.9° |
| CAX | CAS | CAR | CAV | 55.2° | 57.0° |
| CAX | CAS | CAR | OAG | 175.0° | 176.9° |
| CAX | CAS | OAH | HAH | 180.0° | 179.9° |
| CAX | CAS | CAR | HAR | 64.1° | 62.9° |
| CAS | CAX | CAU | HAU | 63.9° | 62.4° |
| OAH | CAS | CAR | HAS | 119.8° | 120.3° |
| OAH | CAS | CAR | CAV | 175.8° | 176.8° |
| OAH | CAS | CAR | OAG | 64.4° | 63.2° |
| OAH | CAS | CAX | HAX | 54.8° | 57.0° |
| OAH | CAS | CAR | HAR | 56.5° | 57.0° |
| CAS | CAR | CAV | OAM | 58.8° | 57.6° |
| CAS | CAR | CAV | OAG | 119.8° | 120.0° |
| CAS | CAR | CAV | HAR | 119.3° | 119.9° |
| CAS | CAR | CAV | OAK | 178.8° | 177.6° |
| CAS | CAR | OAG | HAR | 120.0° | 120.2° |
| CAR | CAS | CAX | HAX | 65.0° | 62.9° |
| CAR | CAS | OAH | HAH | 58.7° | 60.4° |
| CAS | CAR | OAG | HAG | 180.0° | 179.7° |
| CAS | CAR | CAV | HAV | 60.9° | 62.3° |
| OAM | CAV | CAR | OAK | 120.1° | 120.0° |
| OAM | CAV | CAR | HAV | 119.6° | 119.9° |
| OAM | CAV | OAK | HAV | 121.4° | 120.0° |
| OAM | CAV | CAR | OAG | 178.6° | 177.6° |
| OAM | CAV | CAR | HAR | 60.6° | 62.3° |
| CAV | OAM | CAU | HAU | 56.0° | 58.8° |
| CAR | CAV | OAK | HAV | 119.5° | 120.1° |
| CAV | CAR | OAG | HAR | 120.0° | 120.1° |
| CAV | CAR | CAS | HAS | 64.4° | 62.9° |
| CAV | CAR | OAG | HAG | 60.0° | 59.9° |
| OAK | CAV | CAR | OAG | 61.4° | 62.4° |
| OAK | CAV | CAR | HAR | 59.5° | 57.7° |
| CAV | OAK | CAA | HAA1 | 180.0° | 60.0° |
| CAV | OAK | CAA | HAA2 | 60.0° | 60.1° |
| CAV | OAK | CAA | HAA3 | 60.0° | 180.0° |
| OAC | CAJ | CAU | HAU | 177.6° | 55.0° |
| OAC | CAJ | HAJ1 | HAJ2 | 119.8° | 120.0° |
| OAG | CAR | CAS | HAS | 55.4° | 57.1° |
| OAG | CAR | CAV | HAV | 58.9° | 57.6° |
| HO2 | O2 | C2 | H2 | 60.8° | 60.2° |
| H2 | C2 | C3 | H3 | 176.2° | 177.2° |
| H2 | C2 | C1 | H1 | 177.6° | 177.7° |
| H3 | C3 | O3 | HO3 | 60.3° | 60.3° |
| H3 | C3 | C4 | H4 | 54.9° | 57.0° |
| H4 | C4 | O4 | HO4 | 59.6° | 59.9° |
| H4 | C4 | C5 | H5 | 58.2° | 57.6° |
| H5 | C5 | C6 | H61 | 178.6° | 65.1° |
| H5 | C5 | C6 | H62 | 58.5° | 175.0° |
| H61 | C6 | O6 | HO6 | 60.1° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.0° | 59.9° |
| HAX | CAX | CAS | HAS | 175.4° | 177.2° |
| HAX | CAX | CAU | HAU | 178.1° | 177.7° |
| HAS | CAS | OAH | HAH | 60.2° | 59.9° |
| HAS | CAS | CAR | HAR | 176.3° | 177.3° |
| HAR | CAR | OAG | HAG | 60.0° | 60.2° |
| HAR | CAR | CAV | HAV | 179.8° | 177.8° |
| HAA1 | CAA | HAA2 | HAA3 | 119.9° | 120.0° |
| HAU | CAU | CAJ | HAJ1 | 62.3° | 65.0° |
| HAU | CAU | CAJ | HAJ2 | 57.6° | 175.0° |
| HAJ1 | CAJ | OAC | HAC | 60.0° | 60.0° |
| HAJ2 | CAJ | OAC | HAC | 60.0° | 60.0° |
