ME9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAM | doub | 1.21Å | 1.21Å | |
OAB | CAN | doub | 1.21Å | 1.24Å | |
CAO | OAC | doub | 1.21Å | 1.22Å | |
OAD | CAP | doub | 1.21Å | 1.23Å | |
CAM | CAE | sing | 1.48Å | 1.34Å | |
CAF | CAE | doub | 1.34Å | 1.36Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAN | CAF | sing | 1.48Å | 1.38Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAH | CAG | doub | 1.34Å | 1.35Å | |
CAO | CAG | sing | 1.48Å | 1.35Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAP | CAH | sing | 1.48Å | 1.36Å | |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAJ | CAI | sing | 1.53Å | 1.55Å | |
CAI | CAK | sing | 1.53Å | 1.56Å | |
CAI | HAI | sing | 1.09Å | 1.10Å | |
CAI | HAIA | sing | 1.09Å | 1.10Å | |
CAJ | CAL | sing | 1.53Å | 1.51Å | |
CAJ | HAJ | sing | 1.09Å | 1.10Å | |
CAJ | HAJA | sing | 1.09Å | 1.10Å | |
CAK | NAQ | sing | 1.46Å | 1.50Å | |
CAK | HAK | sing | 1.09Å | 1.10Å | |
CAK | HAKA | sing | 1.09Å | 1.10Å | |
CAL | NAR | sing | 1.46Å | 1.49Å | |
CAL | HAL | sing | 1.09Å | 1.10Å | |
CAL | HALA | sing | 1.09Å | 1.10Å | |
NAQ | CAM | sing | 1.35Å | 1.32Å | |
NAQ | CAN | sing | 1.34Å | 1.32Å | |
NAR | CAO | sing | 1.35Å | 1.34Å | |
CAP | NAR | sing | 1.34Å | 1.33Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAM | CAE | 127.4° | 125.8° |
OAA | CAM | NAQ | 120.2° | 125.8° |
OAB | CAN | CAF | 127.4° | 125.8° |
OAB | CAN | NAQ | 122.4° | 125.8° |
OAC | CAO | CAG | 126.2° | 125.8° |
OAC | CAO | NAR | 122.9° | 125.8° |
OAD | CAP | CAH | 126.1° | 125.8° |
OAD | CAP | NAR | 124.7° | 125.8° |
CAM | CAE | CAF | 105.7° | 106.8° |
CAM | CAE | HAE | 127.1° | 126.6° |
CAE | CAM | NAQ | 112.4° | 108.4° |
CAF | CAE | HAE | 127.2° | 126.6° |
CAE | CAF | CAN | 106.1° | 106.8° |
CAE | CAF | HAF | 126.9° | 126.6° |
CAN | CAF | HAF | 126.9° | 126.5° |
CAF | CAN | NAQ | 110.3° | 108.4° |
CAH | CAG | CAO | 106.0° | 106.8° |
CAH | CAG | HAG | 127.0° | 126.6° |
CAG | CAH | CAP | 107.8° | 106.8° |
CAG | CAH | HAH | 126.1° | 126.7° |
CAO | CAG | HAG | 127.0° | 126.6° |
CAG | CAO | NAR | 110.9° | 108.4° |
CAP | CAH | HAH | 126.1° | 126.5° |
CAH | CAP | NAR | 109.2° | 108.4° |
CAJ | CAI | CAK | 109.0° | 109.5° |
CAJ | CAI | HAI | 109.6° | 109.5° |
CAJ | CAI | HAIA | 109.6° | 109.5° |
CAI | CAJ | CAL | 112.5° | 109.4° |
CAI | CAJ | HAJ | 108.5° | 109.5° |
CAI | CAJ | HAJA | 108.5° | 109.4° |
CAK | CAI | HAI | 109.6° | 109.4° |
CAK | CAI | HAIA | 109.6° | 109.5° |
CAI | CAK | NAQ | 111.6° | 109.5° |
CAI | CAK | HAK | 108.8° | 109.4° |
CAI | CAK | HAKA | 108.8° | 109.5° |
HAI | CAI | HAIA | 109.3° | 109.4° |
CAL | CAJ | HAJ | 108.5° | 109.5° |
CAL | CAJ | HAJA | 108.5° | 109.5° |
CAJ | CAL | NAR | 112.2° | 109.5° |
CAJ | CAL | HAL | 108.6° | 109.5° |
CAJ | CAL | HALA | 108.5° | 109.5° |
HAJ | CAJ | HAJA | 110.5° | 109.5° |
NAQ | CAK | HAK | 108.8° | 109.5° |
NAQ | CAK | HAKA | 108.8° | 109.5° |
CAK | NAQ | CAM | 123.4° | 125.2° |
CAK | NAQ | CAN | 131.1° | 125.2° |
HAK | CAK | HAKA | 110.2° | 109.5° |
NAR | CAL | HAL | 108.6° | 109.5° |
NAR | CAL | HALA | 108.6° | 109.4° |
CAL | NAR | CAO | 126.3° | 125.2° |
CAL | NAR | CAP | 127.6° | 125.2° |
HAL | CAL | HALA | 110.4° | 109.5° |
CAM | NAQ | CAN | 105.5° | 109.6° |
CAO | NAR | CAP | 106.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAM | CAE | NAQ | 178.7° | 180.0° |
OAA | CAM | CAE | CAF | 179.1° | 179.7° |
OAA | CAM | CAE | HAE | 0.9° | 0.0° |
OAA | CAM | NAQ | CAK | 1.1° | 0.0° |
OAA | CAM | NAQ | CAN | 179.7° | 179.9° |
OAB | CAN | CAF | CAE | 179.8° | 180.0° |
OAB | CAN | CAF | NAQ | 178.7° | 179.8° |
OAB | CAN | CAF | HAF | 0.1° | 0.0° |
OAB | CAN | NAQ | CAK | 0.2° | 0.1° |
OAB | CAN | NAQ | CAM | 178.6° | 179.8° |
OAC | CAO | CAG | CAH | 178.3° | 179.7° |
OAC | CAO | CAG | NAR | 178.1° | 180.0° |
OAC | CAO | CAG | HAG | 1.7° | 0.1° |
OAC | CAO | NAR | CAL | 0.8° | 0.0° |
OAC | CAO | NAR | CAP | 178.6° | 179.8° |
OAD | CAP | CAH | CAG | 178.7° | 180.0° |
OAD | CAP | CAH | NAR | 179.3° | 179.9° |
OAD | CAP | CAH | HAH | 1.2° | 0.1° |
OAD | CAP | NAR | CAL | 1.3° | 0.1° |
OAD | CAP | NAR | CAO | 179.1° | 179.9° |
CAM | CAE | CAF | HAE | 180.0° | 179.7° |
CAM | CAE | CAF | CAN | 1.9° | 0.3° |
CAM | CAE | CAF | HAF | 178.0° | 179.7° |
CAE | CAM | NAQ | CAK | 179.9° | 180.0° |
CAE | CAM | NAQ | CAN | 1.5° | 0.1° |
CAE | CAF | CAN | HAF | 180.0° | 180.0° |
CAF | CAE | CAM | NAQ | 2.2° | 0.3° |
CAE | CAF | CAN | NAQ | 1.1° | 0.2° |
HAE | CAE | CAF | CAN | 178.1° | 180.0° |
HAE | CAE | CAF | HAF | 2.0° | 0.0° |
HAE | CAE | CAM | NAQ | 177.8° | 180.0° |
CAF | CAN | NAQ | CAK | 178.6° | 179.8° |
CAF | CAN | NAQ | CAM | 0.2° | 0.0° |
HAF | CAF | CAN | NAQ | 178.8° | 179.8° |
CAH | CAG | CAO | HAG | 180.0° | 179.8° |
CAG | CAH | CAP | HAH | 180.0° | 180.0° |
CAH | CAG | CAO | NAR | 3.6° | 0.2° |
CAG | CAH | CAP | NAR | 0.6° | 0.1° |
CAO | CAG | CAH | CAP | 2.5° | 0.2° |
CAO | CAG | CAH | HAH | 177.5° | 179.8° |
CAG | CAO | NAR | CAL | 178.9° | 179.9° |
CAG | CAO | NAR | CAP | 3.2° | 0.2° |
HAG | CAG | CAH | CAP | 177.5° | 180.0° |
HAG | CAG | CAH | HAH | 2.5° | 0.0° |
HAG | CAG | CAO | NAR | 176.4° | 180.0° |
CAH | CAP | NAR | CAL | 179.4° | 179.8° |
CAH | CAP | NAR | CAO | 1.6° | 0.0° |
HAH | CAH | CAP | NAR | 179.4° | 179.8° |
CAJ | CAI | CAK | HAI | 120.0° | 120.0° |
CAJ | CAI | CAK | HAIA | 120.0° | 120.1° |
CAJ | CAI | HAI | HAIA | 120.2° | 120.0° |
CAI | CAJ | CAL | HAJ | 120.0° | 120.0° |
CAI | CAJ | CAL | HAJA | 120.0° | 119.9° |
CAI | CAJ | HAJ | HAJA | 118.8° | 120.0° |
CAJ | CAI | CAK | NAQ | 176.2° | 180.0° |
CAJ | CAI | CAK | HAK | 63.8° | 60.0° |
CAJ | CAI | CAK | HAKA | 56.2° | 59.9° |
CAI | CAJ | CAL | NAR | 71.1° | 180.0° |
CAI | CAJ | CAL | HAL | 168.9° | 60.0° |
CAI | CAJ | CAL | HALA | 48.9° | 60.1° |
CAK | CAI | HAI | HAIA | 120.2° | 120.0° |
CAK | CAI | CAJ | CAL | 163.6° | 180.0° |
CAK | CAI | CAJ | HAJ | 43.7° | 60.0° |
CAK | CAI | CAJ | HAJA | 76.4° | 60.1° |
CAI | CAK | NAQ | HAK | 120.0° | 119.9° |
CAI | CAK | NAQ | HAKA | 120.0° | 120.0° |
CAI | CAK | HAK | HAKA | 119.2° | 119.9° |
CAI | CAK | NAQ | CAM | 129.5° | 90.0° |
CAI | CAK | NAQ | CAN | 48.7° | 90.2° |
HAI | CAI | CAJ | CAL | 43.6° | 60.0° |
HAI | CAI | CAJ | HAJ | 76.3° | 60.0° |
HAI | CAI | CAJ | HAJA | 163.6° | 180.0° |
HAI | CAI | CAK | NAQ | 56.2° | 60.0° |
HAI | CAI | CAK | HAK | 176.2° | 180.0° |
HAI | CAI | CAK | HAKA | 63.8° | 60.1° |
HAIA | CAI | CAJ | CAL | 76.4° | 59.9° |
HAIA | CAI | CAJ | HAJ | 163.6° | 180.0° |
HAIA | CAI | CAJ | HAJA | 43.6° | 60.0° |
HAIA | CAI | CAK | NAQ | 63.8° | 60.0° |
HAIA | CAI | CAK | HAK | 56.2° | 60.0° |
HAIA | CAI | CAK | HAKA | 176.2° | 180.0° |
CAL | CAJ | HAJ | HAJA | 118.7° | 120.0° |
CAJ | CAL | NAR | HAL | 120.0° | 120.0° |
CAJ | CAL | NAR | HALA | 120.0° | 120.0° |
CAJ | CAL | HAL | HALA | 118.9° | 120.0° |
CAJ | CAL | NAR | CAO | 103.8° | 89.8° |
CAJ | CAL | NAR | CAP | 73.6° | 90.0° |
HAJ | CAJ | CAL | NAR | 48.9° | 60.0° |
HAJ | CAJ | CAL | HAL | 71.1° | 180.0° |
HAJ | CAJ | CAL | HALA | 168.9° | 59.9° |
HAJA | CAJ | CAL | NAR | 168.9° | 60.0° |
HAJA | CAJ | CAL | HAL | 48.9° | 60.0° |
HAJA | CAJ | CAL | HALA | 71.1° | 180.0° |
NAQ | CAK | HAK | HAKA | 119.1° | 120.1° |
CAK | NAQ | CAM | CAN | 178.6° | 179.9° |
HAK | CAK | NAQ | CAM | 110.5° | 30.0° |
HAK | CAK | NAQ | CAN | 71.4° | 149.9° |
HAKA | CAK | NAQ | CAM | 9.5° | 150.0° |
HAKA | CAK | NAQ | CAN | 168.6° | 29.9° |
NAR | CAL | HAL | HALA | 118.9° | 120.0° |
CAL | NAR | CAO | CAP | 177.8° | 179.8° |
HAL | CAL | NAR | CAO | 136.2° | 150.2° |
HAL | CAL | NAR | CAP | 46.4° | 30.0° |
HALA | CAL | NAR | CAO | 16.2° | 30.2° |
HALA | CAL | NAR | CAP | 166.5° | 150.0° |