MIG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAF | sing | 1.43Å | 1.42Å | |
| OAB | CAG | sing | 1.43Å | 1.45Å | |
| OAC | CAJ | sing | 1.43Å | 1.42Å | |
| OAD | CAK | sing | 1.43Å | 1.45Å | |
| OAE | CAL | sing | 1.43Å | 1.42Å | |
| CAF | CAH | sing | 1.53Å | 1.53Å | |
| CAG | CAM | sing | 1.53Å | 1.53Å | |
| CAH | NAN | sing | 1.47Å | 1.48Å | |
| CAI | CAJ | sing | 1.53Å | 1.55Å | |
| CAI | NAN | sing | 1.47Å | 1.45Å | |
| CAJ | CAK | sing | 1.53Å | 1.53Å | |
| CAK | CAL | sing | 1.53Å | 1.54Å | |
| CAL | CAM | sing | 1.53Å | 1.55Å | |
| CAM | NAN | sing | 1.47Å | 1.50Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| 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) |
| OAA | CAF | CAH | 105.9° | 109.5° |
| CAF | OAA | HOAA | 109.5° | 114.0° |
| OAA | CAF | HAF | 110.7° | 109.5° |
| OAA | CAF | HAFA | 110.7° | 109.5° |
| OAB | CAG | CAM | 108.9° | 109.5° |
| CAG | OAB | HOAB | 109.5° | 114.0° |
| OAB | CAG | HAG | 109.6° | 109.5° |
| OAB | CAG | HAGA | 109.6° | 109.5° |
| OAC | CAJ | CAI | 109.3° | 109.6° |
| OAC | CAJ | CAK | 113.2° | 109.5° |
| CAJ | OAC | HOAC | 109.5° | 114.0° |
| OAC | CAJ | HAJ | 107.6° | 109.5° |
| OAD | CAK | CAJ | 113.4° | 109.5° |
| OAD | CAK | CAL | 108.0° | 109.5° |
| CAK | OAD | HOAD | 109.5° | 114.0° |
| OAD | CAK | HAK | 107.6° | 109.5° |
| OAE | CAL | CAK | 107.0° | 109.5° |
| OAE | CAL | CAM | 112.4° | 109.5° |
| CAL | OAE | HOAE | 109.5° | 114.0° |
| OAE | CAL | HAL | 109.6° | 109.5° |
| CAF | CAH | NAN | 113.2° | 109.5° |
| CAH | CAF | HAF | 110.7° | 109.5° |
| CAH | CAF | HAFA | 110.7° | 109.4° |
| CAF | CAH | HAH | 108.3° | 109.5° |
| CAF | CAH | HAHA | 108.2° | 109.5° |
| CAG | CAM | CAL | 111.5° | 109.5° |
| CAG | CAM | NAN | 108.7° | 109.4° |
| CAM | CAG | HAG | 109.6° | 109.5° |
| CAM | CAG | HAGA | 109.7° | 109.5° |
| CAG | CAM | HAM | 108.1° | 109.5° |
| CAH | NAN | CAI | 112.3° | 111.0° |
| CAH | NAN | CAM | 114.9° | 111.0° |
| NAN | CAH | HAH | 108.2° | 109.5° |
| NAN | CAH | HAHA | 108.2° | 109.5° |
| CAJ | CAI | NAN | 107.0° | 109.6° |
| CAI | CAJ | CAK | 110.9° | 109.3° |
| CAJ | CAI | HAI | 110.3° | 109.4° |
| CAJ | CAI | HAIA | 110.3° | 109.4° |
| CAI | CAJ | HAJ | 110.0° | 109.5° |
| CAI | NAN | CAM | 113.0° | 111.2° |
| NAN | CAI | HAI | 110.3° | 109.5° |
| NAN | CAI | HAIA | 110.3° | 109.5° |
| CAJ | CAK | CAL | 108.6° | 109.2° |
| CAK | CAJ | HAJ | 105.8° | 109.5° |
| CAJ | CAK | HAK | 107.0° | 109.5° |
| CAK | CAL | CAM | 110.8° | 109.3° |
| CAL | CAK | HAK | 112.4° | 109.6° |
| CAK | CAL | HAL | 111.3° | 109.5° |
| CAL | CAM | NAN | 107.9° | 109.5° |
| CAM | CAL | HAL | 105.7° | 109.5° |
| CAL | CAM | HAM | 108.9° | 109.5° |
| NAN | CAM | HAM | 111.7° | 109.5° |
| HAF | CAF | HAFA | 108.2° | 109.5° |
| HAG | CAG | HAGA | 109.3° | 109.5° |
| HAH | CAH | HAHA | 110.7° | 109.5° |
| HAI | CAI | HAIA | 108.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAF | CAH | HAF | 120.0° | 120.0° |
| OAA | CAF | CAH | HAFA | 120.0° | 120.0° |
| OAA | CAF | CAH | NAN | 127.7° | 66.8° |
| OAA | CAF | HAF | HAFA | 121.5° | 120.0° |
| OAA | CAF | CAH | HAH | 7.7° | 173.2° |
| OAA | CAF | CAH | HAHA | 112.2° | 53.2° |
| OAB | CAG | CAM | HAG | 120.0° | 120.0° |
| OAB | CAG | CAM | HAGA | 120.0° | 120.0° |
| OAB | CAG | CAM | CAL | 73.9° | 171.2° |
| OAB | CAG | CAM | NAN | 45.0° | 68.8° |
| OAB | CAG | HAG | HAGA | 120.2° | 120.0° |
| OAB | CAG | CAM | HAM | 166.4° | 51.2° |
| OAC | CAJ | CAK | OAD | 59.4° | 62.5° |
| OAC | CAJ | CAI | CAK | 125.5° | 120.0° |
| OAC | CAJ | CAI | HAJ | 117.9° | 120.1° |
| OAC | CAJ | CAI | NAN | 174.0° | 179.2° |
| OAC | CAJ | CAK | HAJ | 117.5° | 120.0° |
| OAC | CAJ | CAK | CAL | 179.4° | 177.6° |
| OAC | CAJ | CAI | HAI | 54.0° | 60.8° |
| OAC | CAJ | CAI | HAIA | 66.0° | 59.1° |
| OAC | CAJ | CAK | HAK | 59.0° | 57.7° |
| OAD | CAK | CAL | OAE | 58.3° | 62.5° |
| OAD | CAK | CAJ | CAI | 177.3° | 177.5° |
| OAD | CAK | CAJ | CAL | 120.0° | 119.9° |
| OAD | CAK | CAJ | HAK | 118.4° | 120.1° |
| OAD | CAK | CAL | HAK | 118.6° | 120.2° |
| OAD | CAK | CAL | CAM | 178.8° | 177.6° |
| OAD | CAK | CAJ | HAJ | 58.1° | 57.6° |
| OAD | CAK | CAL | HAL | 61.5° | 57.6° |
| OAE | CAL | CAM | CAG | 64.4° | 60.9° |
| OAE | CAL | CAK | CAJ | 178.4° | 177.5° |
| OAE | CAL | CAK | CAM | 122.9° | 119.9° |
| OAE | CAL | CAK | HAL | 119.7° | 120.1° |
| OAE | CAL | CAM | HAL | 119.6° | 120.1° |
| OAE | CAL | CAM | NAN | 176.3° | 179.1° |
| OAE | CAL | CAK | HAK | 60.3° | 57.6° |
| OAE | CAL | CAM | HAM | 54.9° | 59.1° |
| CAF | CAH | NAN | HAH | 120.0° | 120.0° |
| CAF | CAH | NAN | HAHA | 120.0° | 120.0° |
| CAF | CAH | NAN | CAI | 67.9° | 57.9° |
| CAF | CAH | NAN | CAM | 63.1° | 66.3° |
| CAH | CAF | OAA | HOAA | 180.0° | 180.0° |
| CAH | CAF | HAF | HAFA | 121.4° | 120.0° |
| CAF | CAH | HAH | HAHA | 118.4° | 120.0° |
| CAG | CAM | NAN | CAH | 45.8° | 54.2° |
| CAG | CAM | NAN | CAI | 176.4° | 178.3° |
| CAG | CAM | CAL | CAK | 175.9° | 179.2° |
| CAG | CAM | CAL | NAN | 119.3° | 120.0° |
| CAG | CAM | CAL | HAM | 119.2° | 120.0° |
| CAG | CAM | NAN | HAM | 119.2° | 120.0° |
| CAM | CAG | OAB | HOAB | 180.0° | 180.0° |
| CAM | CAG | HAG | HAGA | 120.2° | 120.0° |
| CAG | CAM | CAL | HAL | 55.2° | 59.2° |
| CAH | NAN | CAI | CAJ | 164.4° | 174.2° |
| CAH | NAN | CAI | CAM | 132.0° | 124.1° |
| CAH | NAN | CAM | CAL | 166.8° | 174.2° |
| NAN | CAH | CAF | HAF | 112.3° | 53.2° |
| NAN | CAH | CAF | HAFA | 7.7° | 173.2° |
| NAN | CAH | HAH | HAHA | 118.5° | 120.0° |
| CAH | NAN | CAI | HAI | 44.4° | 54.2° |
| CAH | NAN | CAI | HAIA | 75.6° | 65.8° |
| CAH | NAN | CAM | HAM | 73.4° | 65.8° |
| CAJ | CAI | NAN | HAI | 120.0° | 120.0° |
| CAJ | CAI | NAN | HAIA | 120.0° | 120.0° |
| CAI | CAJ | CAK | HAJ | 119.2° | 119.9° |
| CAI | CAJ | CAK | CAL | 57.3° | 57.6° |
| CAJ | CAI | NAN | CAM | 63.7° | 61.8° |
| CAI | CAJ | OAC | HOAC | 180.0° | 60.0° |
| CAJ | CAI | HAI | HAIA | 121.0° | 119.9° |
| CAI | CAJ | CAK | HAK | 64.3° | 62.3° |
| NAN | CAI | CAJ | CAK | 60.5° | 59.2° |
| CAI | NAN | CAM | CAL | 62.5° | 61.8° |
| CAI | NAN | CAH | HAH | 52.1° | 62.1° |
| CAI | NAN | CAH | HAHA | 172.1° | 177.9° |
| NAN | CAI | HAI | HAIA | 121.0° | 120.0° |
| NAN | CAI | CAJ | HAJ | 56.2° | 60.8° |
| CAI | NAN | CAM | HAM | 57.2° | 58.3° |
| CAJ | CAK | CAL | HAK | 118.2° | 119.9° |
| CAJ | CAK | CAL | CAM | 55.5° | 57.6° |
| CAK | CAJ | OAC | HOAC | 55.8° | 179.8° |
| CAJ | CAK | OAD | HOAD | 180.0° | 60.0° |
| CAK | CAJ | CAI | HAI | 179.5° | 179.2° |
| CAK | CAJ | CAI | HAIA | 59.5° | 60.9° |
| CAJ | CAK | CAL | HAL | 61.8° | 62.4° |
| CAK | CAL | CAM | HAL | 120.7° | 120.0° |
| CAK | CAL | CAM | NAN | 56.6° | 59.2° |
| CAL | CAK | OAD | HOAD | 59.6° | 179.7° |
| CAK | CAL | OAE | HOAE | 180.0° | 60.0° |
| CAL | CAK | CAJ | HAJ | 61.9° | 62.3° |
| CAK | CAL | CAM | HAM | 64.8° | 60.8° |
| CAL | CAM | NAN | HAM | 119.7° | 120.0° |
| CAM | CAL | OAE | HOAE | 58.1° | 179.8° |
| CAL | CAM | CAG | HAG | 46.1° | 68.8° |
| CAL | CAM | CAG | HAGA | 166.1° | 51.2° |
| CAM | CAL | CAK | HAK | 62.6° | 62.3° |
| NAN | CAM | CAG | HAG | 164.9° | 51.2° |
| NAN | CAM | CAG | HAGA | 75.0° | 171.2° |
| CAM | NAN | CAH | HAH | 176.9° | 173.7° |
| CAM | NAN | CAH | HAHA | 56.9° | 53.7° |
| CAM | NAN | CAI | HAI | 176.3° | 178.2° |
| CAM | NAN | CAI | HAIA | 56.3° | 58.2° |
| NAN | CAM | CAL | HAL | 64.1° | 60.8° |
| HOAA | OAA | CAF | HAF | 60.0° | 60.0° |
| HOAA | OAA | CAF | HAFA | 60.0° | 60.1° |
| HOAB | OAB | CAG | HAG | 60.0° | 60.0° |
| HOAB | OAB | CAG | HAGA | 60.0° | 60.0° |
| HOAC | OAC | CAJ | HAJ | 60.6° | 60.1° |
| HOAD | OAD | CAK | HAK | 62.0° | 60.1° |
| HOAE | OAE | CAL | HAL | 59.2° | 60.1° |
| HAF | CAF | CAH | HAH | 127.7° | 66.8° |
| HAF | CAF | CAH | HAHA | 7.7° | 173.2° |
| HAFA | CAF | CAH | HAH | 112.3° | 53.2° |
| HAFA | CAF | CAH | HAHA | 127.7° | 66.8° |
| HAG | CAG | CAM | HAM | 73.6° | 171.2° |
| HAGA | CAG | CAM | HAM | 46.4° | 68.8° |
| HAI | CAI | CAJ | HAJ | 63.8° | 59.3° |
| HAIA | CAI | CAJ | HAJ | 176.2° | 179.2° |
| HAJ | CAJ | CAK | HAK | 176.5° | 177.7° |
| HAK | CAK | CAL | HAL | 180.0° | 177.7° |
| HAL | CAL | CAM | HAM | 174.5° | 179.2° |
