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° |