DR0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAI | sing | 1.53Å | 1.53Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ3 | sing | 1.09Å | 1.10Å | |
| CAI | CAH | sing | 1.53Å | 1.54Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAH | CAG | sing | 1.53Å | 1.53Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAG | CAF | sing | 1.53Å | 1.57Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAF | CAE | sing | 1.53Å | 1.47Å | |
| CAF | HAF1 | sing | 1.09Å | 1.10Å | |
| CAF | HAF2 | sing | 1.09Å | 1.10Å | |
| CAE | NAD | sing | 1.47Å | 1.48Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| NAD | CAC | sing | 1.47Å | 1.46Å | |
| NAD | CAK | sing | 1.47Å | 1.51Å | |
| NAD | CAB | sing | 1.47Å | 1.47Å | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CAC | HAC3 | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAK | HAK3 | sing | 1.09Å | 1.10Å | |
| CAB | OAA | sing | 1.43Å | 1.38Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| OAA | HAA | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAJ | HAJ1 | 109.4° | 109.4° |
| CAI | CAJ | HAJ2 | 109.4° | 109.5° |
| CAI | CAJ | HAJ3 | 109.5° | 109.5° |
| CAJ | CAI | CAH | 111.1° | 109.4° |
| CAJ | CAI | HAI1 | 108.6° | 109.5° |
| CAJ | CAI | HAI2 | 108.9° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 109.5° | 109.5° |
| HAJ1 | CAJ | HAJ3 | 109.5° | 109.5° |
| HAJ2 | CAJ | HAJ3 | 109.5° | 109.5° |
| CAH | CAI | HAI1 | 108.6° | 109.5° |
| CAH | CAI | HAI2 | 108.9° | 109.5° |
| CAI | CAH | CAG | 111.8° | 109.5° |
| CAI | CAH | HAH1 | 108.2° | 109.5° |
| CAI | CAH | HAH2 | 108.7° | 109.5° |
| HAI1 | CAI | HAI2 | 110.7° | 109.5° |
| CAG | CAH | HAH1 | 108.2° | 109.5° |
| CAG | CAH | HAH2 | 108.7° | 109.5° |
| CAH | CAG | CAF | 111.1° | 109.5° |
| CAH | CAG | HAG1 | 108.6° | 109.5° |
| CAH | CAG | HAG2 | 108.9° | 109.5° |
| HAH1 | CAH | HAH2 | 111.3° | 109.4° |
| CAF | CAG | HAG1 | 108.6° | 109.5° |
| CAF | CAG | HAG2 | 109.0° | 109.5° |
| CAG | CAF | CAE | 108.9° | 109.5° |
| CAG | CAF | HAF1 | 109.8° | 109.5° |
| CAG | CAF | HAF2 | 109.6° | 109.5° |
| HAG1 | CAG | HAG2 | 110.7° | 109.4° |
| CAE | CAF | HAF1 | 109.8° | 109.4° |
| CAE | CAF | HAF2 | 109.7° | 109.4° |
| CAF | CAE | NAD | 117.0° | 109.4° |
| CAF | CAE | HAE1 | 105.3° | 109.4° |
| CAF | CAE | HAE2 | 107.0° | 109.4° |
| HAF1 | CAF | HAF2 | 109.0° | 109.5° |
| NAD | CAE | HAE1 | 105.3° | 109.5° |
| NAD | CAE | HAE2 | 107.0° | 109.5° |
| CAE | NAD | CAC | 114.0° | 109.5° |
| CAE | NAD | CAK | 107.8° | 109.5° |
| CAE | NAD | CAB | 103.3° | 109.4° |
| HAE1 | CAE | HAE2 | 115.6° | 109.4° |
| CAC | NAD | CAK | 110.3° | 109.5° |
| CAC | NAD | CAB | 113.7° | 109.5° |
| NAD | CAC | HAC1 | 109.5° | 109.5° |
| NAD | CAC | HAC2 | 109.5° | 109.5° |
| NAD | CAC | HAC3 | 109.5° | 109.5° |
| CAK | NAD | CAB | 107.2° | 109.5° |
| NAD | CAK | HAK1 | 109.5° | 109.5° |
| NAD | CAK | HAK2 | 109.5° | 109.5° |
| NAD | CAK | HAK3 | 109.5° | 109.5° |
| NAD | CAB | OAA | 115.3° | 109.5° |
| NAD | CAB | HAB1 | 106.2° | 109.5° |
| NAD | CAB | HAB2 | 107.6° | 109.5° |
| HAC1 | CAC | HAC2 | 109.5° | 109.4° |
| HAC1 | CAC | HAC3 | 109.4° | 109.5° |
| HAC2 | CAC | HAC3 | 109.4° | 109.5° |
| HAK1 | CAK | HAK2 | 109.5° | 109.5° |
| HAK1 | CAK | HAK3 | 109.5° | 109.5° |
| HAK2 | CAK | HAK3 | 109.5° | 109.4° |
| OAA | CAB | HAB1 | 106.2° | 109.5° |
| OAA | CAB | HAB2 | 107.6° | 109.5° |
| CAB | OAA | HAA | 109.5° | 106.8° |
| HAB1 | CAB | HAB2 | 114.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAJ | HAJ1 | HAJ2 | 120.0° | 120.0° |
| CAI | CAJ | HAJ1 | HAJ3 | 120.0° | 120.0° |
| CAI | CAJ | HAJ2 | HAJ3 | 120.0° | 120.0° |
| CAJ | CAI | CAH | HAI1 | 119.3° | 120.0° |
| CAJ | CAI | CAH | HAI2 | 120.0° | 120.0° |
| CAJ | CAI | HAI1 | HAI2 | 119.5° | 120.0° |
| CAJ | CAI | CAH | CAG | 177.5° | 180.0° |
| CAJ | CAI | CAH | HAH1 | 63.5° | 60.0° |
| CAJ | CAI | CAH | HAH2 | 57.5° | 60.0° |
| HAJ1 | CAJ | HAJ2 | HAJ3 | 120.0° | 120.0° |
| HAJ1 | CAJ | CAI | CAH | 134.7° | 180.0° |
| HAJ1 | CAJ | CAI | HAI1 | 106.0° | 60.0° |
| HAJ1 | CAJ | CAI | HAI2 | 14.7° | 60.0° |
| HAJ2 | CAJ | CAI | CAH | 105.3° | 60.0° |
| HAJ2 | CAJ | CAI | HAI1 | 14.0° | 59.9° |
| HAJ2 | CAJ | CAI | HAI2 | 134.7° | 180.0° |
| HAJ3 | CAJ | CAI | CAH | 14.7° | 60.0° |
| HAJ3 | CAJ | CAI | HAI1 | 134.0° | 180.0° |
| HAJ3 | CAJ | CAI | HAI2 | 105.3° | 59.9° |
| CAH | CAI | HAI1 | HAI2 | 119.6° | 120.0° |
| CAI | CAH | CAG | HAH1 | 119.0° | 120.0° |
| CAI | CAH | CAG | HAH2 | 120.0° | 120.0° |
| CAI | CAH | HAH1 | HAH2 | 119.4° | 120.0° |
| CAI | CAH | CAG | CAF | 169.4° | 180.0° |
| CAI | CAH | CAG | HAG1 | 71.3° | 60.0° |
| CAI | CAH | CAG | HAG2 | 49.4° | 60.0° |
| HAI1 | CAI | CAH | CAG | 58.2° | 60.0° |
| HAI1 | CAI | CAH | HAH1 | 177.2° | 180.0° |
| HAI1 | CAI | CAH | HAH2 | 61.8° | 60.0° |
| HAI2 | CAI | CAH | CAG | 62.5° | 60.0° |
| HAI2 | CAI | CAH | HAH1 | 56.6° | 60.0° |
| HAI2 | CAI | CAH | HAH2 | 177.5° | 180.0° |
| CAG | CAH | HAH1 | HAH2 | 119.4° | 120.0° |
| CAH | CAG | CAF | HAG1 | 119.3° | 120.0° |
| CAH | CAG | CAF | HAG2 | 120.0° | 120.0° |
| CAH | CAG | HAG1 | HAG2 | 119.5° | 120.0° |
| CAH | CAG | CAF | CAE | 174.5° | 180.0° |
| CAH | CAG | CAF | HAF1 | 65.2° | 60.1° |
| CAH | CAG | CAF | HAF2 | 54.5° | 60.1° |
| HAH1 | CAH | CAG | CAF | 50.3° | 60.0° |
| HAH1 | CAH | CAG | HAG1 | 169.7° | 180.0° |
| HAH1 | CAH | CAG | HAG2 | 69.7° | 60.0° |
| HAH2 | CAH | CAG | CAF | 70.6° | 60.0° |
| HAH2 | CAH | CAG | HAG1 | 48.7° | 60.0° |
| HAH2 | CAH | CAG | HAG2 | 169.4° | 180.0° |
| CAF | CAG | HAG1 | HAG2 | 119.6° | 120.0° |
| CAG | CAF | CAE | HAF1 | 120.2° | 120.0° |
| CAG | CAF | CAE | HAF2 | 120.0° | 120.0° |
| CAG | CAF | HAF1 | HAF2 | 120.1° | 120.1° |
| CAG | CAF | CAE | NAD | 175.3° | 180.0° |
| CAG | CAF | CAE | HAE1 | 68.2° | 60.0° |
| CAG | CAF | CAE | HAE2 | 55.3° | 60.0° |
| HAG1 | CAG | CAF | CAE | 55.2° | 60.0° |
| HAG1 | CAG | CAF | HAF1 | 175.4° | 179.9° |
| HAG1 | CAG | CAF | HAF2 | 64.8° | 60.0° |
| HAG2 | CAG | CAF | CAE | 65.5° | 60.0° |
| HAG2 | CAG | CAF | HAF1 | 54.8° | 60.0° |
| HAG2 | CAG | CAF | HAF2 | 174.5° | 179.9° |
| CAE | CAF | HAF1 | HAF2 | 120.2° | 119.9° |
| CAF | CAE | NAD | HAE1 | 116.5° | 120.0° |
| CAF | CAE | NAD | HAE2 | 120.0° | 120.0° |
| CAF | CAE | HAE1 | HAE2 | 117.8° | 119.9° |
| CAF | CAE | NAD | CAC | 59.8° | 60.0° |
| CAF | CAE | NAD | CAK | 63.0° | 60.0° |
| CAF | CAE | NAD | CAB | 176.4° | 180.0° |
| HAF1 | CAF | CAE | NAD | 55.1° | 60.0° |
| HAF1 | CAF | CAE | HAE1 | 171.6° | 180.0° |
| HAF1 | CAF | CAE | HAE2 | 64.9° | 60.0° |
| HAF2 | CAF | CAE | NAD | 64.7° | 60.0° |
| HAF2 | CAF | CAE | HAE1 | 51.8° | 60.0° |
| HAF2 | CAF | CAE | HAE2 | 175.3° | 180.0° |
| NAD | CAE | HAE1 | HAE2 | 117.9° | 120.1° |
| CAE | NAD | CAC | CAK | 121.4° | 120.1° |
| CAE | NAD | CAC | CAB | 118.1° | 120.0° |
| CAE | NAD | CAK | CAB | 110.7° | 120.0° |
| CAE | NAD | CAC | HAC1 | 55.2° | 60.0° |
| CAE | NAD | CAC | HAC2 | 64.9° | 180.0° |
| CAE | NAD | CAC | HAC3 | 175.2° | 60.0° |
| CAE | NAD | CAK | HAK1 | 66.5° | 60.0° |
| CAE | NAD | CAK | HAK2 | 53.5° | 180.0° |
| CAE | NAD | CAK | HAK3 | 173.5° | 60.0° |
| CAE | NAD | CAB | OAA | 124.9° | 180.0° |
| CAE | NAD | CAB | HAB1 | 117.7° | 60.0° |
| CAE | NAD | CAB | HAB2 | 4.9° | 60.0° |
| HAE1 | CAE | NAD | CAC | 176.2° | 180.0° |
| HAE1 | CAE | NAD | CAK | 53.5° | 60.0° |
| HAE1 | CAE | NAD | CAB | 59.9° | 60.0° |
| HAE2 | CAE | NAD | CAC | 60.2° | 60.0° |
| HAE2 | CAE | NAD | CAK | 177.0° | 180.0° |
| HAE2 | CAE | NAD | CAB | 63.7° | 60.0° |
| CAC | NAD | CAK | CAB | 124.3° | 120.0° |
| NAD | CAC | HAC1 | HAC2 | 120.0° | 120.0° |
| NAD | CAC | HAC1 | HAC3 | 120.0° | 120.0° |
| NAD | CAC | HAC2 | HAC3 | 120.0° | 120.1° |
| CAC | NAD | CAK | HAK1 | 58.5° | 180.0° |
| CAC | NAD | CAK | HAK2 | 178.5° | 59.9° |
| CAC | NAD | CAK | HAK3 | 61.5° | 60.0° |
| CAC | NAD | CAB | OAA | 0.8° | 60.0° |
| CAC | NAD | CAB | HAB1 | 118.2° | 180.0° |
| CAC | NAD | CAB | HAB2 | 119.1° | 60.0° |
| CAK | NAD | CAC | HAC1 | 176.6° | 60.0° |
| CAK | NAD | CAC | HAC2 | 56.5° | 59.9° |
| CAK | NAD | CAC | HAC3 | 63.5° | 180.0° |
| NAD | CAK | HAK1 | HAK2 | 120.0° | 120.0° |
| NAD | CAK | HAK1 | HAK3 | 120.0° | 120.0° |
| NAD | CAK | HAK2 | HAK3 | 120.0° | 120.0° |
| CAK | NAD | CAB | OAA | 121.4° | 60.0° |
| CAK | NAD | CAB | HAB1 | 4.0° | 60.0° |
| CAK | NAD | CAB | HAB2 | 118.6° | 180.0° |
| CAB | NAD | CAC | HAC1 | 62.9° | 180.0° |
| CAB | NAD | CAC | HAC2 | 177.0° | 60.0° |
| CAB | NAD | CAC | HAC3 | 57.1° | 60.0° |
| CAB | NAD | CAK | HAK1 | 177.1° | 60.0° |
| CAB | NAD | CAK | HAK2 | 57.1° | 60.0° |
| CAB | NAD | CAK | HAK3 | 62.9° | 180.0° |
| NAD | CAB | OAA | HAB1 | 117.4° | 120.0° |
| NAD | CAB | OAA | HAB2 | 120.0° | 120.0° |
| NAD | CAB | HAB1 | HAB2 | 118.4° | 120.0° |
| NAD | CAB | OAA | HAA | 126.1° | 180.0° |
| HAC1 | CAC | HAC2 | HAC3 | 119.9° | 120.0° |
| HAK1 | CAK | HAK2 | HAK3 | 120.0° | 120.0° |
| OAA | CAB | HAB1 | HAB2 | 118.4° | 120.0° |
| HAB1 | CAB | OAA | HAA | 8.8° | 60.0° |
| HAB2 | CAB | OAA | HAA | 113.9° | 60.0° |
