3RK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAH | sing | 1.43Å | 1.43Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| CAI | OAB | sing | 1.43Å | 1.43Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| OAC | CAJ | sing | 1.43Å | 1.43Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAK | OAD | sing | 1.43Å | 1.43Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CAH | CAE | sing | 1.50Å | 1.53Å | |
| CAE | NAG | sing | 1.48Å | 1.45Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAEA | sing | 1.09Å | 1.10Å | |
| NAG | CAF | sing | 1.48Å | 1.45Å | |
| CAF | CAI | sing | 1.50Å | 1.53Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| NAG | HNAG | sing | 1.01Å | 1.00Å | |
| CAH | CAJ | sing | 1.54Å | 1.54Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAK | CAI | sing | 1.54Å | 1.53Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAJ | CAK | sing | 1.46Å | 1.54Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | OAA | HOAA | 109.5° | 114.0° |
| OAA | CAH | CAE | 109.2° | 109.6° |
| OAA | CAH | CAJ | 109.2° | 109.6° |
| OAA | CAH | HAH | 111.9° | 109.6° |
| CAI | OAB | HOAB | 109.5° | 114.0° |
| OAB | CAI | CAF | 108.1° | 109.7° |
| OAB | CAI | CAK | 109.5° | 109.6° |
| OAB | CAI | HAI | 111.7° | 109.7° |
| CAJ | OAC | HOAC | 109.5° | 113.9° |
| OAC | CAJ | CAH | 108.0° | 109.0° |
| OAC | CAJ | CAK | 109.4° | 109.0° |
| OAC | CAJ | HAJ | 112.4° | 109.0° |
| CAK | OAD | HOAD | 109.5° | 114.0° |
| OAD | CAK | CAI | 109.4° | 109.0° |
| OAD | CAK | CAJ | 109.1° | 108.9° |
| OAD | CAK | HAK | 110.9° | 108.9° |
| CAH | CAE | NAG | 111.5° | 112.8° |
| CAH | CAE | HAE | 108.8° | 108.8° |
| CAH | CAE | HAEA | 108.8° | 108.7° |
| CAE | CAH | CAJ | 114.9° | 108.5° |
| CAE | CAH | HAH | 105.8° | 109.7° |
| NAG | CAE | HAE | 108.8° | 108.8° |
| NAG | CAE | HAEA | 108.8° | 108.8° |
| CAE | NAG | CAF | 119.3° | 114.6° |
| CAE | NAG | HNAG | 106.3° | 111.0° |
| HAE | CAE | HAEA | 110.1° | 108.8° |
| NAG | CAF | CAI | 111.5° | 112.8° |
| NAG | CAF | HAF | 108.8° | 108.8° |
| NAG | CAF | HAFA | 108.8° | 108.7° |
| CAF | NAG | HNAG | 106.3° | 111.0° |
| CAI | CAF | HAF | 108.8° | 108.8° |
| CAI | CAF | HAFA | 108.8° | 108.8° |
| CAF | CAI | CAK | 113.2° | 108.5° |
| CAF | CAI | HAI | 107.9° | 109.6° |
| HAF | CAF | HAFA | 110.1° | 108.8° |
| CAJ | CAH | HAH | 105.8° | 109.8° |
| CAH | CAJ | CAK | 114.4° | 112.2° |
| CAH | CAJ | HAJ | 107.2° | 108.9° |
| CAK | CAI | HAI | 106.5° | 109.8° |
| CAI | CAK | CAJ | 112.9° | 112.2° |
| CAI | CAK | HAK | 107.1° | 108.8° |
| CAK | CAJ | HAJ | 105.6° | 108.8° |
| CAJ | CAK | HAK | 107.4° | 108.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAH | CAJ | OAC | 86.8° | 41.1° |
| OAA | CAH | CAE | CAJ | 123.1° | 119.7° |
| OAA | CAH | CAE | HAH | 120.6° | 120.4° |
| OAA | CAH | CAE | NAG | 76.3° | 146.6° |
| OAA | CAH | CAE | HAE | 163.7° | 92.6° |
| OAA | CAH | CAE | HAEA | 43.7° | 25.8° |
| OAA | CAH | CAJ | HAH | 120.6° | 120.5° |
| OAA | CAH | CAJ | CAK | 151.2° | 161.8° |
| OAA | CAH | CAJ | HAJ | 34.5° | 77.7° |
| HOAA | OAA | CAH | CAE | 180.0° | 60.0° |
| HOAA | OAA | CAH | CAJ | 53.6° | 179.0° |
| HOAA | OAA | CAH | HAH | 63.2° | 60.4° |
| OAB | CAI | CAK | OAD | 40.0° | 41.1° |
| OAB | CAI | CAF | NAG | 174.0° | 146.6° |
| OAB | CAI | CAF | CAK | 121.4° | 119.7° |
| OAB | CAI | CAF | HAI | 121.0° | 120.5° |
| OAB | CAI | CAF | HAF | 54.0° | 92.5° |
| OAB | CAI | CAF | HAFA | 66.0° | 25.9° |
| OAB | CAI | CAK | HAI | 120.9° | 120.5° |
| OAB | CAI | CAK | CAJ | 161.8° | 161.8° |
| OAB | CAI | CAK | HAK | 80.3° | 77.6° |
| HOAB | OAB | CAI | CAF | 180.0° | 60.0° |
| HOAB | OAB | CAI | CAK | 56.4° | 179.0° |
| HOAB | OAB | CAI | HAI | 61.4° | 60.4° |
| OAC | CAJ | CAK | OAD | 30.4° | 57.5° |
| OAC | CAJ | CAH | CAE | 150.1° | 160.8° |
| OAC | CAJ | CAH | CAK | 122.0° | 120.7° |
| OAC | CAJ | CAH | HAJ | 121.3° | 118.8° |
| OAC | CAJ | CAH | HAH | 33.8° | 79.4° |
| OAC | CAJ | CAK | CAI | 152.3° | 178.2° |
| OAC | CAJ | CAK | HAJ | 121.2° | 118.7° |
| OAC | CAJ | CAK | HAK | 89.9° | 61.2° |
| HOAC | OAC | CAJ | CAH | 180.0° | 60.0° |
| HOAC | OAC | CAJ | CAK | 55.0° | 177.3° |
| HOAC | OAC | CAJ | HAJ | 62.0° | 58.7° |
| OAD | CAK | CAI | CAF | 160.7° | 160.8° |
| OAD | CAK | CAJ | CAH | 151.6° | 178.2° |
| OAD | CAK | CAI | CAJ | 121.7° | 120.7° |
| OAD | CAK | CAI | HAK | 120.3° | 118.7° |
| OAD | CAK | CAI | HAI | 80.9° | 79.5° |
| OAD | CAK | CAJ | HAK | 120.3° | 118.7° |
| OAD | CAK | CAJ | HAJ | 90.8° | 61.3° |
| HOAD | OAD | CAK | CAI | 180.0° | 57.3° |
| HOAD | OAD | CAK | CAJ | 56.0° | 180.0° |
| HOAD | OAD | CAK | HAK | 62.1° | 61.4° |
| CAH | CAE | NAG | HAE | 120.0° | 120.9° |
| CAH | CAE | NAG | HAEA | 120.0° | 120.7° |
| CAH | CAE | HAE | HAEA | 119.2° | 118.3° |
| CAH | CAE | NAG | CAF | 95.2° | 41.9° |
| CAH | CAE | NAG | HNAG | 144.7° | 84.8° |
| CAE | CAH | CAJ | HAH | 116.3° | 119.8° |
| CAE | CAH | CAJ | CAK | 28.1° | 78.5° |
| CAE | CAH | CAJ | HAJ | 88.6° | 42.0° |
| NAG | CAE | HAE | HAEA | 119.2° | 118.4° |
| CAE | NAG | CAF | HNAG | 120.0° | 126.7° |
| CAE | NAG | CAF | CAI | 73.4° | 41.9° |
| CAE | NAG | CAF | HAF | 46.6° | 79.0° |
| CAE | NAG | CAF | HAFA | 166.6° | 162.7° |
| NAG | CAE | CAH | CAJ | 46.8° | 93.7° |
| NAG | CAE | CAH | HAH | 163.1° | 26.2° |
| HAE | CAE | NAG | CAF | 24.8° | 79.0° |
| HAE | CAE | NAG | HNAG | 95.3° | 154.3° |
| HAE | CAE | CAH | CAJ | 73.2° | 27.1° |
| HAE | CAE | CAH | HAH | 43.1° | 147.0° |
| HAEA | CAE | NAG | CAF | 144.7° | 162.6° |
| HAEA | CAE | NAG | HNAG | 24.7° | 35.9° |
| HAEA | CAE | CAH | CAJ | 166.8° | 145.5° |
| HAEA | CAE | CAH | HAH | 76.9° | 94.6° |
| NAG | CAF | CAI | HAF | 120.0° | 120.9° |
| NAG | CAF | CAI | HAFA | 120.0° | 120.7° |
| NAG | CAF | HAF | HAFA | 119.1° | 118.3° |
| NAG | CAF | CAI | CAK | 52.6° | 93.7° |
| NAG | CAF | CAI | HAI | 65.0° | 26.1° |
| CAI | CAF | HAF | HAFA | 119.2° | 118.4° |
| CAI | CAF | NAG | HNAG | 166.5° | 168.7° |
| CAF | CAI | CAK | HAI | 118.4° | 119.8° |
| CAF | CAI | CAK | CAJ | 77.6° | 78.5° |
| CAF | CAI | CAK | HAK | 40.4° | 42.1° |
| HAF | CAF | NAG | HNAG | 73.4° | 47.8° |
| HAF | CAF | CAI | CAK | 67.4° | 27.1° |
| HAF | CAF | CAI | HAI | 175.0° | 147.0° |
| HAFA | CAF | NAG | HNAG | 46.5° | 70.6° |
| HAFA | CAF | CAI | CAK | 172.6° | 145.5° |
| HAFA | CAF | CAI | HAI | 55.0° | 94.6° |
| CAH | CAJ | CAK | CAI | 86.5° | 61.1° |
| CAH | CAJ | CAK | HAJ | 117.6° | 120.6° |
| CAH | CAJ | CAK | HAK | 31.3° | 59.5° |
| HAH | CAH | CAJ | CAK | 88.2° | 41.3° |
| HAH | CAH | CAJ | HAJ | 155.1° | 161.8° |
| CAI | CAK | CAJ | HAK | 117.8° | 120.6° |
| CAI | CAK | CAJ | HAJ | 31.1° | 59.5° |
| HAI | CAI | CAK | CAJ | 40.9° | 41.3° |
| HAI | CAI | CAK | HAK | 158.8° | 161.8° |
| HAJ | CAJ | CAK | HAK | 148.9° | 179.9° |
