3RI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAF | sing | 1.43Å | 1.43Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| OAB | CAJ | sing | 1.43Å | 1.43Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAK | OAC | sing | 1.43Å | 1.43Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| OAD | CAL | sing | 1.43Å | 1.43Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CAM | OAE | sing | 1.43Å | 1.43Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| CAF | CAG | sing | 1.53Å | 1.53Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAG | NAN | sing | 1.47Å | 1.47Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAJ | CAH | sing | 1.54Å | 1.53Å | |
| CAH | NAN | sing | 1.44Å | 1.47Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| NAN | CAI | sing | 1.48Å | 1.47Å | |
| CAI | CAK | sing | 1.54Å | 1.54Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAJ | CAL | sing | 1.46Å | 1.53Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAM | CAK | sing | 1.51Å | 1.54Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAL | CAM | sing | 1.54Å | 1.53Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | OAA | HOAA | 109.5° | 114.0° |
| OAA | CAF | CAG | 109.8° | 109.5° |
| OAA | CAF | HAF | 109.4° | 109.5° |
| OAA | CAF | HAFA | 109.4° | 109.5° |
| CAJ | OAB | HOAB | 109.5° | 114.0° |
| OAB | CAJ | CAH | 108.7° | 108.9° |
| OAB | CAJ | CAL | 109.8° | 108.8° |
| OAB | CAJ | HAJ | 110.4° | 108.8° |
| CAK | OAC | HOAC | 109.5° | 114.0° |
| OAC | CAK | CAI | 109.1° | 108.8° |
| OAC | CAK | CAM | 108.3° | 108.8° |
| OAC | CAK | HAK | 113.5° | 108.8° |
| CAL | OAD | HOAD | 109.5° | 114.0° |
| OAD | CAL | CAJ | 108.6° | 109.0° |
| OAD | CAL | CAM | 109.2° | 109.0° |
| OAD | CAL | HAL | 111.2° | 109.0° |
| CAM | OAE | HOAE | 109.5° | 114.0° |
| OAE | CAM | CAK | 107.6° | 109.6° |
| OAE | CAM | CAL | 108.7° | 109.6° |
| OAE | CAM | HAM | 113.4° | 109.6° |
| CAG | CAF | HAF | 109.3° | 109.5° |
| CAG | CAF | HAFA | 109.3° | 109.5° |
| CAF | CAG | NAN | 111.6° | 109.5° |
| CAF | CAG | HAG | 108.8° | 109.5° |
| CAF | CAG | HAGA | 108.8° | 109.5° |
| HAF | CAF | HAFA | 109.6° | 109.5° |
| NAN | CAG | HAG | 108.8° | 109.5° |
| NAN | CAG | HAGA | 108.8° | 109.4° |
| CAG | NAN | CAH | 109.4° | 111.0° |
| CAG | NAN | CAI | 109.1° | 111.0° |
| HAG | CAG | HAGA | 110.2° | 109.5° |
| CAJ | CAH | NAN | 109.7° | 108.3° |
| CAJ | CAH | HAH | 109.4° | 109.7° |
| CAJ | CAH | HAHA | 109.4° | 109.7° |
| CAH | CAJ | CAL | 111.3° | 112.6° |
| CAH | CAJ | HAJ | 108.9° | 108.8° |
| NAN | CAH | HAH | 109.4° | 109.7° |
| NAN | CAH | HAHA | 109.4° | 109.7° |
| CAH | NAN | CAI | 109.1° | 113.6° |
| HAH | CAH | HAHA | 109.5° | 109.7° |
| NAN | CAI | CAK | 114.6° | 113.3° |
| NAN | CAI | HAI | 107.8° | 108.7° |
| NAN | CAI | HAIA | 107.8° | 108.6° |
| CAK | CAI | HAI | 107.8° | 108.7° |
| CAK | CAI | HAIA | 107.8° | 108.7° |
| CAI | CAK | CAM | 117.0° | 112.9° |
| CAI | CAK | HAK | 104.1° | 108.8° |
| HAI | CAI | HAIA | 111.1° | 108.7° |
| CAL | CAJ | HAJ | 107.8° | 108.8° |
| CAJ | CAL | CAM | 112.1° | 111.7° |
| CAJ | CAL | HAL | 108.2° | 109.0° |
| CAM | CAK | HAK | 105.0° | 108.7° |
| CAK | CAM | CAL | 115.1° | 108.8° |
| CAK | CAM | HAM | 106.7° | 109.7° |
| CAM | CAL | HAL | 107.5° | 109.0° |
| CAL | CAM | HAM | 105.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAF | CAG | HAF | 120.0° | 120.0° |
| OAA | CAF | CAG | HAFA | 120.0° | 120.0° |
| OAA | CAF | HAF | HAFA | 119.9° | 120.0° |
| OAA | CAF | CAG | NAN | 101.5° | 65.0° |
| OAA | CAF | CAG | HAG | 18.5° | 175.0° |
| OAA | CAF | CAG | HAGA | 138.5° | 55.0° |
| HOAA | OAA | CAF | CAG | 180.0° | 180.0° |
| HOAA | OAA | CAF | HAF | 60.0° | 60.0° |
| HOAA | OAA | CAF | HAFA | 60.0° | 60.0° |
| OAB | CAJ | CAL | OAD | 43.6° | 57.1° |
| OAB | CAJ | CAH | CAL | 121.0° | 120.8° |
| OAB | CAJ | CAH | HAJ | 120.3° | 118.5° |
| OAB | CAJ | CAH | NAN | 169.1° | 157.8° |
| OAB | CAJ | CAH | HAH | 49.1° | 38.1° |
| OAB | CAJ | CAH | HAHA | 70.9° | 82.5° |
| OAB | CAJ | CAL | HAJ | 120.3° | 118.4° |
| OAB | CAJ | CAL | CAM | 164.4° | 177.6° |
| OAB | CAJ | CAL | HAL | 77.1° | 61.8° |
| HOAB | OAB | CAJ | CAH | 180.0° | 60.0° |
| HOAB | OAB | CAJ | CAL | 58.0° | 176.9° |
| HOAB | OAB | CAJ | HAJ | 60.6° | 58.5° |
| OAC | CAK | CAM | OAE | 71.9° | 27.5° |
| OAC | CAK | CAI | NAN | 92.7° | 163.1° |
| OAC | CAK | CAI | CAM | 123.3° | 120.9° |
| OAC | CAK | CAI | HAK | 121.4° | 118.4° |
| OAC | CAK | CAI | HAI | 27.2° | 75.9° |
| OAC | CAK | CAI | HAIA | 147.3° | 42.3° |
| OAC | CAK | CAM | HAK | 121.5° | 118.3° |
| OAC | CAK | CAM | CAL | 166.7° | 147.3° |
| OAC | CAK | CAM | HAM | 50.1° | 92.8° |
| HOAC | OAC | CAK | CAI | 180.0° | 60.1° |
| HOAC | OAC | CAK | CAM | 51.7° | 176.5° |
| HOAC | OAC | CAK | HAK | 64.5° | 58.3° |
| OAD | CAL | CAM | OAE | 35.1° | 42.4° |
| OAD | CAL | CAJ | CAH | 164.0° | 177.9° |
| OAD | CAL | CAJ | CAM | 120.8° | 120.5° |
| OAD | CAL | CAJ | HAL | 120.8° | 118.9° |
| OAD | CAL | CAJ | HAJ | 76.7° | 61.3° |
| OAD | CAL | CAM | CAK | 155.8° | 162.2° |
| OAD | CAL | CAM | HAL | 120.8° | 119.0° |
| OAD | CAL | CAM | HAM | 86.8° | 77.9° |
| HOAD | OAD | CAL | CAJ | 180.0° | 60.1° |
| HOAD | OAD | CAL | CAM | 57.4° | 177.8° |
| HOAD | OAD | CAL | HAL | 61.1° | 58.8° |
| OAE | CAM | CAK | CAI | 164.4° | 148.4° |
| OAE | CAM | CAL | CAJ | 155.5° | 162.9° |
| OAE | CAM | CAK | CAL | 121.3° | 119.8° |
| OAE | CAM | CAK | HAM | 122.0° | 120.3° |
| OAE | CAM | CAK | HAK | 49.6° | 90.7° |
| OAE | CAM | CAL | HAM | 121.9° | 120.3° |
| OAE | CAM | CAL | HAL | 85.7° | 76.5° |
| HOAE | OAE | CAM | CAK | 180.0° | 60.6° |
| HOAE | OAE | CAM | CAL | 54.7° | 179.9° |
| HOAE | OAE | CAM | HAM | 62.3° | 59.8° |
| CAG | CAF | HAF | HAFA | 119.8° | 120.0° |
| CAF | CAG | NAN | HAG | 120.0° | 120.0° |
| CAF | CAG | NAN | HAGA | 120.0° | 120.0° |
| CAF | CAG | HAG | HAGA | 119.1° | 120.0° |
| CAF | CAG | NAN | CAH | 82.0° | 170.0° |
| CAF | CAG | NAN | CAI | 158.7° | 62.6° |
| HAF | CAF | CAG | NAN | 138.5° | 55.0° |
| HAF | CAF | CAG | HAG | 101.5° | 65.0° |
| HAF | CAF | CAG | HAGA | 18.5° | 175.0° |
| HAFA | CAF | CAG | NAN | 18.5° | 175.1° |
| HAFA | CAF | CAG | HAG | 138.5° | 55.0° |
| HAFA | CAF | CAG | HAGA | 101.5° | 65.0° |
| NAN | CAG | HAG | HAGA | 119.1° | 119.9° |
| CAG | NAN | CAH | CAJ | 150.6° | 138.7° |
| CAG | NAN | CAH | CAI | 119.3° | 125.9° |
| CAG | NAN | CAH | HAH | 30.6° | 19.0° |
| CAG | NAN | CAH | HAHA | 89.4° | 101.6° |
| CAG | NAN | CAI | CAK | 151.0° | 167.8° |
| CAG | NAN | CAI | HAI | 31.0° | 46.8° |
| CAG | NAN | CAI | HAIA | 89.0° | 71.3° |
| HAG | CAG | NAN | CAH | 158.0° | 69.9° |
| HAG | CAG | NAN | CAI | 38.7° | 57.4° |
| HAGA | CAG | NAN | CAH | 38.0° | 50.0° |
| HAGA | CAG | NAN | CAI | 81.3° | 177.4° |
| CAJ | CAH | NAN | HAH | 120.0° | 119.6° |
| CAJ | CAH | NAN | HAHA | 120.0° | 119.8° |
| CAJ | CAH | HAH | HAHA | 119.9° | 120.6° |
| CAJ | CAH | NAN | CAI | 90.1° | 95.4° |
| CAH | CAJ | CAL | HAJ | 119.3° | 120.8° |
| CAH | CAJ | CAL | CAM | 75.2° | 61.5° |
| CAH | CAJ | CAL | HAL | 43.2° | 59.0° |
| NAN | CAH | HAH | HAHA | 119.9° | 120.6° |
| CAH | NAN | CAI | CAK | 89.5° | 41.8° |
| CAH | NAN | CAI | HAI | 150.5° | 79.1° |
| CAH | NAN | CAI | HAIA | 30.5° | 162.8° |
| NAN | CAH | CAJ | CAL | 69.9° | 81.4° |
| NAN | CAH | CAJ | HAJ | 48.8° | 39.3° |
| HAH | CAH | NAN | CAI | 149.9° | 145.0° |
| HAH | CAH | CAJ | CAL | 170.1° | 158.9° |
| HAH | CAH | CAJ | HAJ | 71.3° | 80.3° |
| HAHA | CAH | NAN | CAI | 30.0° | 24.4° |
| HAHA | CAH | CAJ | CAL | 50.1° | 38.3° |
| HAHA | CAH | CAJ | HAJ | 168.8° | 159.1° |
| NAN | CAI | CAK | HAI | 120.0° | 121.0° |
| NAN | CAI | CAK | HAIA | 120.0° | 120.9° |
| NAN | CAI | HAI | HAIA | 117.9° | 118.1° |
| NAN | CAI | CAK | CAM | 30.5° | 42.3° |
| NAN | CAI | CAK | HAK | 145.8° | 78.5° |
| CAK | CAI | HAI | HAIA | 117.9° | 118.2° |
| CAI | CAK | CAM | HAK | 114.8° | 120.9° |
| CAI | CAK | CAM | CAL | 43.0° | 91.8° |
| CAI | CAK | CAM | HAM | 73.6° | 28.1° |
| HAI | CAI | CAK | CAM | 150.5° | 163.2° |
| HAI | CAI | CAK | HAK | 94.2° | 42.4° |
| HAIA | CAI | CAK | CAM | 89.5° | 78.6° |
| HAIA | CAI | CAK | HAK | 25.8° | 160.6° |
| CAJ | CAL | CAM | CAK | 83.8° | 77.3° |
| CAJ | CAL | CAM | HAL | 118.8° | 120.5° |
| CAJ | CAL | CAM | HAM | 33.6° | 42.6° |
| HAJ | CAJ | CAL | CAM | 44.1° | 59.2° |
| HAJ | CAJ | CAL | HAL | 162.6° | 179.8° |
| CAK | CAM | CAL | HAM | 117.4° | 119.9° |
| CAK | CAM | CAL | HAL | 35.0° | 43.3° |
| HAK | CAK | CAM | CAL | 71.7° | 29.1° |
| HAK | CAK | CAM | HAM | 171.6° | 148.9° |
| HAL | CAL | CAM | HAM | 152.4° | 163.2° |
