MIH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | CAB | doub | 1.39Å | 1.40Å | Aromatic |
CAA | CAF | sing | 1.39Å | 1.36Å | Aromatic |
CAA | FAG | sing | 1.35Å | 1.33Å | |
CAB | CAC | sing | 1.38Å | 1.39Å | Aromatic |
CAC | CAD | doub | 1.39Å | 1.38Å | Aromatic |
CAD | CAE | sing | 1.40Å | 1.39Å | Aromatic |
CAD | CAI | sing | 1.48Å | 1.38Å | Aromatic |
CAE | CAF | doub | 1.38Å | 1.36Å | Aromatic |
CAE | FAH | sing | 1.35Å | 1.33Å | |
CAI | CAJ | doub | 1.42Å | 1.40Å | Aromatic |
CAI | CAN | sing | 1.39Å | 1.40Å | Aromatic |
CAJ | CAK | sing | 1.42Å | 1.40Å | Aromatic |
CAJ | CAO | sing | 1.40Å | 1.39Å | Aromatic |
CAK | NAL | doub | 1.33Å | 1.36Å | Aromatic |
CAK | CAR | sing | 1.42Å | 1.41Å | Aromatic |
NAL | CAM | sing | 1.31Å | 1.35Å | Aromatic |
CAM | CAN | doub | 1.39Å | 1.40Å | Aromatic |
CAM | CBB | sing | 1.51Å | 1.52Å | |
CAO | CAP | doub | 1.36Å | 1.39Å | Aromatic |
CAP | NAQ | sing | 1.32Å | 1.38Å | Aromatic |
NAQ | CAR | doub | 1.32Å | 1.41Å | Aromatic |
NAQ | OBA | sing | 1.42Å | 1.34Å | |
CAR | CAS | sing | 1.48Å | 1.40Å | Aromatic |
CAS | CAT | doub | 1.40Å | 1.41Å | Aromatic |
CAS | CAX | sing | 1.40Å | 1.38Å | Aromatic |
CAT | CAU | sing | 1.38Å | 1.39Å | Aromatic |
CAT | CLAZ | sing | 1.74Å | 1.74Å | |
CAU | CAV | doub | 1.38Å | 1.38Å | Aromatic |
CAV | CAW | sing | 1.38Å | 1.39Å | Aromatic |
CAW | CAX | doub | 1.38Å | 1.38Å | Aromatic |
CAX | CLAY | sing | 1.74Å | 1.71Å | |
CBB | CBC | sing | 1.53Å | 1.52Å | |
CBB | CBG | sing | 1.53Å | 1.53Å | |
CBC | CBD | sing | 1.53Å | 1.54Å | |
CBD | NBE | sing | 1.47Å | 1.48Å | |
NBE | CBF | sing | 1.47Å | 1.48Å | |
CBF | CBG | sing | 1.53Å | 1.53Å | |
CAB | HAB | sing | 1.08Å | 1.08Å | |
CAC | HAC | sing | 1.08Å | 1.08Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAN | HAN | sing | 1.08Å | 1.08Å | |
CAO | HAO | sing | 1.08Å | 1.08Å | |
CAP | HAP | sing | 1.08Å | 1.08Å | |
CAU | HAU | sing | 1.08Å | 1.08Å | |
CAV | HAV | sing | 1.08Å | 1.08Å | |
CAW | HAW | sing | 1.08Å | 1.08Å | |
CBB | HBB | sing | 1.09Å | 1.10Å | |
CBC | HBC | sing | 1.09Å | 1.10Å | |
CBC | HBCA | sing | 1.09Å | 1.10Å | |
CBD | HBD | sing | 1.09Å | 1.10Å | |
CBD | HBDA | sing | 1.09Å | 1.10Å | |
NBE | HNBE | sing | 1.01Å | 1.00Å | |
CBF | HBF | sing | 1.09Å | 1.10Å | |
CBF | HBFA | sing | 1.09Å | 1.10Å | |
CBG | HBG | sing | 1.09Å | 1.10Å | |
CBG | HBGA | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAB | CAA | CAF | 120.9° | 120.3° |
CAB | CAA | FAG | 123.4° | 119.9° |
CAA | CAB | CAC | 121.3° | 120.2° |
CAA | CAB | HAB | 119.3° | 119.9° |
CAF | CAA | FAG | 115.7° | 119.8° |
CAA | CAF | CAE | 117.4° | 120.1° |
CAA | CAF | HAF | 121.3° | 120.0° |
CAB | CAC | CAD | 117.3° | 119.9° |
CAC | CAB | HAB | 119.4° | 120.0° |
CAB | CAC | HAC | 121.4° | 120.0° |
CAC | CAD | CAE | 119.6° | 119.8° |
CAC | CAD | CAI | 122.8° | 120.1° |
CAD | CAC | HAC | 121.4° | 120.0° |
CAE | CAD | CAI | 117.2° | 120.1° |
CAD | CAE | CAF | 123.4° | 119.8° |
CAD | CAE | FAH | 121.8° | 120.1° |
CAD | CAI | CAJ | 122.2° | 121.2° |
CAD | CAI | CAN | 118.1° | 121.2° |
CAF | CAE | FAH | 114.7° | 120.1° |
CAE | CAF | HAF | 121.3° | 119.9° |
CAJ | CAI | CAN | 119.2° | 117.6° |
CAI | CAJ | CAK | 120.2° | 119.1° |
CAI | CAJ | CAO | 120.5° | 122.3° |
CAI | CAN | CAM | 119.3° | 119.7° |
CAI | CAN | HAN | 120.3° | 120.2° |
CAK | CAJ | CAO | 119.3° | 118.7° |
CAJ | CAK | NAL | 118.9° | 120.1° |
CAJ | CAK | CAR | 119.6° | 118.1° |
CAJ | CAO | CAP | 121.6° | 118.9° |
CAJ | CAO | HAO | 119.2° | 120.6° |
NAL | CAK | CAR | 121.5° | 121.8° |
CAK | NAL | CAM | 122.1° | 121.7° |
CAK | CAR | NAQ | 119.6° | 119.8° |
CAK | CAR | CAS | 120.9° | 120.1° |
NAL | CAM | CAN | 120.2° | 121.9° |
NAL | CAM | CBB | 119.9° | 119.0° |
CAN | CAM | CBB | 119.7° | 119.1° |
CAM | CAN | HAN | 120.4° | 120.1° |
CAM | CBB | CBC | 109.6° | 109.5° |
CAM | CBB | CBG | 105.9° | 109.5° |
CAM | CBB | HBB | 111.0° | 109.5° |
CAO | CAP | NAQ | 119.8° | 121.8° |
CAP | CAO | HAO | 119.2° | 120.5° |
CAO | CAP | HAP | 120.1° | 119.1° |
CAP | NAQ | CAR | 120.0° | 122.7° |
CAP | NAQ | OBA | 118.3° | 118.7° |
NAQ | CAP | HAP | 120.1° | 119.1° |
CAR | NAQ | OBA | 121.7° | 118.7° |
NAQ | CAR | CAS | 119.0° | 120.1° |
CAR | CAS | CAT | 117.2° | 120.2° |
CAR | CAS | CAX | 124.4° | 120.1° |
CAT | CAS | CAX | 118.3° | 119.7° |
CAS | CAT | CAU | 121.0° | 119.9° |
CAS | CAT | CLAZ | 121.4° | 120.0° |
CAS | CAX | CAW | 120.7° | 119.9° |
CAS | CAX | CLAY | 120.3° | 120.0° |
CAU | CAT | CLAZ | 117.7° | 120.1° |
CAT | CAU | CAV | 119.5° | 120.1° |
CAT | CAU | HAU | 120.3° | 119.9° |
CAU | CAV | CAW | 119.9° | 120.3° |
CAV | CAU | HAU | 120.2° | 119.9° |
CAU | CAV | HAV | 120.1° | 119.8° |
CAV | CAW | CAX | 120.6° | 120.1° |
CAW | CAV | HAV | 120.1° | 119.9° |
CAV | CAW | HAW | 119.7° | 119.9° |
CAW | CAX | CLAY | 119.0° | 120.1° |
CAX | CAW | HAW | 119.7° | 119.9° |
CBC | CBB | CBG | 107.4° | 109.2° |
CBB | CBC | CBD | 110.4° | 109.3° |
CBC | CBB | HBB | 109.6° | 109.5° |
CBB | CBC | HBC | 109.1° | 109.5° |
CBB | CBC | HBCA | 109.2° | 109.5° |
CBB | CBG | CBF | 111.6° | 109.3° |
CBG | CBB | HBB | 113.1° | 109.6° |
CBB | CBG | HBG | 108.8° | 109.5° |
CBB | CBG | HBGA | 108.8° | 109.6° |
CBC | CBD | NBE | 112.0° | 109.5° |
CBD | CBC | HBC | 109.2° | 109.5° |
CBD | CBC | HBCA | 109.2° | 109.5° |
CBC | CBD | HBD | 108.6° | 109.5° |
CBC | CBD | HBDA | 108.6° | 109.4° |
CBD | NBE | CBF | 111.0° | 111.2° |
NBE | CBD | HBD | 108.6° | 109.4° |
NBE | CBD | HBDA | 108.6° | 109.5° |
CBD | NBE | HNBE | 109.0° | 111.0° |
NBE | CBF | CBG | 109.0° | 109.5° |
CBF | NBE | HNBE | 108.9° | 111.0° |
NBE | CBF | HBF | 109.6° | 109.4° |
NBE | CBF | HBFA | 109.6° | 109.5° |
CBG | CBF | HBF | 109.7° | 109.5° |
CBG | CBF | HBFA | 109.7° | 109.5° |
CBF | CBG | HBG | 108.8° | 109.5° |
CBF | CBG | HBGA | 108.7° | 109.5° |
HBC | CBC | HBCA | 109.8° | 109.5° |
HBD | CBD | HBDA | 110.3° | 109.4° |
HBF | CBF | HBFA | 109.3° | 109.5° |
HBG | CBG | HBGA | 110.2° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAB | CAA | CAF | FAG | 179.8° | 179.7° |
CAA | CAB | CAC | HAB | 180.0° | 180.0° |
CAA | CAB | CAC | CAD | 1.5° | 0.0° |
CAB | CAA | CAF | CAE | 2.5° | 0.0° |
CAA | CAB | CAC | HAC | 178.5° | 180.0° |
CAB | CAA | CAF | HAF | 177.5° | 180.0° |
CAF | CAA | CAB | CAC | 1.7° | 0.0° |
CAA | CAF | CAE | CAD | 0.3° | 0.0° |
CAA | CAF | CAE | HAF | 180.0° | 180.0° |
CAA | CAF | CAE | FAH | 178.0° | 180.0° |
CAF | CAA | CAB | HAB | 178.4° | 180.0° |
FAG | CAA | CAB | CAC | 178.5° | 179.7° |
FAG | CAA | CAF | CAE | 177.6° | 179.7° |
FAG | CAA | CAB | HAB | 1.5° | 0.3° |
FAG | CAA | CAF | HAF | 2.3° | 0.3° |
CAB | CAC | CAD | HAC | 180.0° | 180.0° |
CAB | CAC | CAD | CAE | 3.6° | 0.0° |
CAB | CAC | CAD | CAI | 175.7° | 180.0° |
CAC | CAD | CAE | CAI | 172.6° | 180.0° |
CAC | CAD | CAE | CAF | 2.9° | 0.0° |
CAC | CAD | CAE | FAH | 179.0° | 180.0° |
CAC | CAD | CAI | CAJ | 120.2° | 115.0° |
CAC | CAD | CAI | CAN | 68.0° | 64.7° |
CAD | CAC | CAB | HAB | 178.5° | 180.0° |
CAD | CAE | CAF | FAH | 178.3° | 180.0° |
CAE | CAD | CAI | CAJ | 67.5° | 65.0° |
CAE | CAD | CAI | CAN | 104.3° | 115.3° |
CAE | CAD | CAC | HAC | 176.4° | 180.0° |
CAD | CAE | CAF | HAF | 179.7° | 180.0° |
CAI | CAD | CAE | CAF | 175.4° | 180.0° |
CAI | CAD | CAE | FAH | 6.4° | 0.0° |
CAD | CAI | CAJ | CAN | 171.8° | 179.7° |
CAD | CAI | CAJ | CAK | 174.9° | 180.0° |
CAD | CAI | CAJ | CAO | 6.2° | 0.0° |
CAD | CAI | CAN | CAM | 175.2° | 179.7° |
CAI | CAD | CAC | HAC | 4.2° | 0.0° |
CAD | CAI | CAN | HAN | 4.8° | 0.0° |
FAH | CAE | CAF | HAF | 2.0° | 0.0° |
CAI | CAJ | CAK | CAO | 178.9° | 180.0° |
CAI | CAJ | CAK | NAL | 0.7° | 0.0° |
CAI | CAJ | CAK | CAR | 177.1° | 179.9° |
CAJ | CAI | CAN | CAM | 3.0° | 0.6° |
CAI | CAJ | CAO | CAP | 179.7° | 180.0° |
CAJ | CAI | CAN | HAN | 176.9° | 179.7° |
CAI | CAJ | CAO | HAO | 0.3° | 0.0° |
CAN | CAI | CAJ | CAK | 3.2° | 0.3° |
CAN | CAI | CAJ | CAO | 178.0° | 179.7° |
CAI | CAN | CAM | NAL | 0.5° | 0.6° |
CAI | CAN | CAM | HAN | 180.0° | 179.7° |
CAI | CAN | CAM | CBB | 175.5° | 179.7° |
CAJ | CAK | NAL | CAR | 177.7° | 179.9° |
CAJ | CAK | NAL | CAM | 2.0° | 0.0° |
CAK | CAJ | CAO | CAP | 0.8° | 0.0° |
CAJ | CAK | CAR | NAQ | 2.9° | 0.0° |
CAJ | CAK | CAR | CAS | 175.1° | 180.0° |
CAK | CAJ | CAO | HAO | 179.2° | 180.0° |
CAO | CAJ | CAK | NAL | 179.6° | 180.0° |
CAO | CAJ | CAK | CAR | 1.8° | 0.0° |
CAJ | CAO | CAP | HAO | 180.0° | 180.0° |
CAJ | CAO | CAP | NAQ | 2.3° | 0.1° |
CAJ | CAO | CAP | HAP | 177.7° | 180.0° |
CAK | NAL | CAM | CAN | 2.1° | 0.3° |
CAK | NAL | CAM | CBB | 178.0° | 180.0° |
NAL | CAK | CAR | NAQ | 179.4° | 180.0° |
NAL | CAK | CAR | CAS | 7.2° | 0.1° |
CAR | CAK | NAL | CAM | 179.7° | 179.9° |
CAK | CAR | NAQ | CAP | 1.4° | 0.0° |
CAK | CAR | NAQ | CAS | 172.3° | 179.9° |
CAK | CAR | NAQ | OBA | 179.5° | 180.0° |
CAK | CAR | CAS | CAT | 99.4° | 90.0° |
CAK | CAR | CAS | CAX | 76.8° | 89.8° |
NAL | CAM | CAN | CBB | 175.9° | 179.7° |
NAL | CAM | CBB | CBC | 31.9° | 95.0° |
NAL | CAM | CBB | CBG | 83.6° | 145.3° |
NAL | CAM | CAN | HAN | 179.5° | 179.7° |
NAL | CAM | CBB | HBB | 153.2° | 25.2° |
CAN | CAM | CBB | CBC | 152.1° | 84.7° |
CAN | CAM | CBB | CBG | 92.3° | 35.0° |
CAN | CAM | CBB | HBB | 30.8° | 155.2° |
CAM | CBB | CBC | CBG | 114.6° | 119.9° |
CAM | CBB | CBC | HBB | 122.1° | 120.1° |
CAM | CBB | CBG | HBB | 121.8° | 120.1° |
CAM | CBB | CBC | CBD | 170.6° | 177.5° |
CAM | CBB | CBG | CBF | 176.3° | 177.6° |
CBB | CAM | CAN | HAN | 4.6° | 0.0° |
CAM | CBB | CBC | HBC | 69.4° | 62.5° |
CAM | CBB | CBC | HBCA | 50.6° | 57.7° |
CAM | CBB | CBG | HBG | 56.3° | 57.7° |
CAM | CBB | CBG | HBGA | 63.7° | 62.5° |
CAO | CAP | NAQ | HAP | 180.0° | 179.9° |
CAO | CAP | NAQ | CAR | 1.2° | 0.0° |
CAO | CAP | NAQ | OBA | 177.0° | 179.9° |
CAP | NAQ | CAR | OBA | 178.1° | 180.0° |
CAP | NAQ | CAR | CAS | 173.8° | 179.9° |
NAQ | CAP | CAO | HAO | 177.7° | 179.9° |
NAQ | CAR | CAS | CAT | 72.8° | 90.0° |
NAQ | CAR | CAS | CAX | 110.9° | 90.3° |
CAR | NAQ | CAP | HAP | 178.8° | 179.9° |
OBA | NAQ | CAR | CAS | 8.1° | 0.1° |
OBA | NAQ | CAP | HAP | 3.1° | 0.0° |
CAR | CAS | CAT | CAX | 176.5° | 179.7° |
CAR | CAS | CAT | CAU | 177.8° | 179.9° |
CAR | CAS | CAT | CLAZ | 2.2° | 0.0° |
CAR | CAS | CAX | CAW | 177.9° | 179.7° |
CAR | CAS | CAX | CLAY | 2.1° | 0.0° |
CAS | CAT | CAU | CLAZ | 180.0° | 180.0° |
CAS | CAT | CAU | CAV | 1.0° | 0.1° |
CAT | CAS | CAX | CAW | 1.7° | 0.5° |
CAT | CAS | CAX | CLAY | 178.3° | 179.7° |
CAS | CAT | CAU | HAU | 178.9° | 180.0° |
CAX | CAS | CAT | CAU | 1.4° | 0.2° |
CAX | CAS | CAT | CLAZ | 178.6° | 179.7° |
CAS | CAX | CAW | CAV | 1.7° | 0.6° |
CAS | CAX | CAW | CLAY | 180.0° | 179.7° |
CAS | CAX | CAW | HAW | 178.4° | 179.7° |
CAT | CAU | CAV | HAU | 180.0° | 179.9° |
CAT | CAU | CAV | CAW | 1.0° | 0.0° |
CAT | CAU | CAV | HAV | 179.0° | 179.9° |
CLAZ | CAT | CAU | CAV | 179.0° | 180.0° |
CLAZ | CAT | CAU | HAU | 1.1° | 0.1° |
CAU | CAV | CAW | HAV | 180.0° | 180.0° |
CAU | CAV | CAW | CAX | 1.3° | 0.3° |
CAU | CAV | CAW | HAW | 178.7° | 180.0° |
CAV | CAW | CAX | HAW | 180.0° | 179.7° |
CAV | CAW | CAX | CLAY | 178.3° | 179.7° |
CAW | CAV | CAU | HAU | 179.0° | 179.9° |
CAX | CAW | CAV | HAV | 178.7° | 179.7° |
CLAY | CAX | CAW | HAW | 1.7° | 0.0° |
CBC | CBB | CBG | HBB | 121.1° | 120.0° |
CBB | CBC | CBD | HBC | 120.0° | 120.0° |
CBB | CBC | CBD | HBCA | 120.0° | 119.9° |
CBB | CBC | CBD | NBE | 56.8° | 59.1° |
CBC | CBB | CBG | CBF | 59.3° | 57.6° |
CBB | CBC | HBC | HBCA | 119.6° | 120.1° |
CBB | CBC | CBD | HBD | 63.2° | 60.9° |
CBB | CBC | CBD | HBDA | 176.7° | 179.2° |
CBC | CBB | CBG | HBG | 60.7° | 62.2° |
CBC | CBB | CBG | HBGA | 179.2° | 177.6° |
CBG | CBB | CBC | CBD | 56.0° | 57.7° |
CBB | CBG | CBF | NBE | 60.5° | 59.1° |
CBB | CBG | CBF | HBG | 120.0° | 119.9° |
CBB | CBG | CBF | HBGA | 120.0° | 120.0° |
CBG | CBB | CBC | HBC | 176.0° | 177.6° |
CBG | CBB | CBC | HBCA | 64.0° | 62.2° |
CBB | CBG | CBF | HBF | 59.5° | 60.8° |
CBB | CBG | CBF | HBFA | 179.4° | 179.1° |
CBB | CBG | HBG | HBGA | 119.1° | 120.2° |
CBC | CBD | NBE | HBD | 120.0° | 120.0° |
CBC | CBD | NBE | HBDA | 120.0° | 120.0° |
CBC | CBD | NBE | CBF | 57.5° | 61.7° |
CBD | CBC | CBB | HBB | 67.3° | 62.4° |
CBD | CBC | HBC | HBCA | 119.6° | 120.1° |
CBC | CBD | HBD | HBDA | 119.0° | 119.9° |
CBC | CBD | NBE | HNBE | 177.4° | 174.1° |
CBD | NBE | CBF | HNBE | 120.0° | 124.2° |
CBD | NBE | CBF | CBG | 58.2° | 61.7° |
NBE | CBD | CBC | HBC | 176.7° | 179.1° |
NBE | CBD | CBC | HBCA | 63.3° | 60.7° |
NBE | CBD | HBD | HBDA | 118.9° | 120.0° |
CBD | NBE | CBF | HBF | 61.9° | 58.3° |
CBD | NBE | CBF | HBFA | 178.2° | 178.3° |
NBE | CBF | CBG | HBF | 120.0° | 119.9° |
NBE | CBF | CBG | HBFA | 120.0° | 120.0° |
CBF | NBE | CBD | HBD | 62.5° | 58.3° |
CBF | NBE | CBD | HBDA | 177.5° | 178.3° |
NBE | CBF | HBF | HBFA | 120.2° | 120.0° |
NBE | CBF | CBG | HBG | 59.5° | 60.8° |
NBE | CBF | CBG | HBGA | 179.5° | 179.1° |
CBF | CBG | CBB | HBB | 61.8° | 62.3° |
CBG | CBF | NBE | HNBE | 178.2° | 174.1° |
CBG | CBF | HBF | HBFA | 120.2° | 120.0° |
CBF | CBG | HBG | HBGA | 119.1° | 120.1° |
HAB | CAB | CAC | HAC | 1.5° | 0.0° |
HAO | CAO | CAP | HAP | 2.3° | 0.0° |
HAU | CAU | CAV | HAV | 1.0° | 0.0° |
HAV | CAV | CAW | HAW | 1.3° | 0.0° |
HBB | CBB | CBC | HBC | 52.7° | 57.6° |
HBB | CBB | CBC | HBCA | 172.7° | 177.8° |
HBB | CBB | CBG | HBG | 178.2° | 177.8° |
HBB | CBB | CBG | HBGA | 58.1° | 57.6° |
HBC | CBC | CBD | HBD | 56.8° | 59.1° |
HBC | CBC | CBD | HBDA | 63.3° | 60.8° |
HBCA | CBC | CBD | HBD | 176.8° | 179.3° |
HBCA | CBC | CBD | HBDA | 56.7° | 59.3° |
HBD | CBD | NBE | HNBE | 57.5° | 65.9° |
HBDA | CBD | NBE | HNBE | 62.5° | 54.1° |
HNBE | NBE | CBF | HBF | 58.1° | 65.9° |
HNBE | NBE | CBF | HBFA | 61.8° | 54.1° |
HBF | CBF | CBG | HBG | 179.5° | 179.3° |
HBF | CBF | CBG | HBGA | 60.5° | 59.2° |
HBFA | CBF | CBG | HBG | 60.6° | 59.3° |
HBFA | CBF | CBG | HBGA | 59.4° | 60.9° |