JIM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAB | OAA | sing | 1.43Å | 1.44Å | |
OAA | HOAA | sing | 0.97Å | 0.95Å | |
CAB | CAC | sing | 1.53Å | 1.53Å | |
CAB | HAB | sing | 1.09Å | 1.10Å | |
CAB | HABA | sing | 1.09Å | 1.10Å | |
CAD | CAC | sing | 1.53Å | 1.54Å | |
OAH | CAC | sing | 1.43Å | 1.43Å | |
CAC | HAC | sing | 1.09Å | 1.10Å | |
OAE | CAD | sing | 1.45Å | 1.45Å | |
CAD | HAD | sing | 1.09Å | 1.10Å | |
CAD | HADA | sing | 1.09Å | 1.10Å | |
CAF | OAE | sing | 1.34Å | 1.46Å | |
OAG | CAF | doub | 1.21Å | 1.23Å | |
CAF | CAI | sing | 1.51Å | 1.50Å | |
OAH | HOAH | sing | 0.97Å | 0.95Å | |
CAI | HAI | sing | 1.09Å | 1.10Å | |
CAI | HAIA | sing | 1.09Å | 1.10Å | |
CAI | HAIB | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAB | OAA | HOAA | 109.5° | 114.0° |
OAA | CAB | CAC | 111.3° | 109.5° |
OAA | CAB | HAB | 108.8° | 109.4° |
OAA | CAB | HABA | 108.8° | 109.4° |
CAC | CAB | HAB | 108.9° | 109.5° |
CAC | CAB | HABA | 108.9° | 109.5° |
CAB | CAC | CAD | 113.8° | 109.5° |
CAB | CAC | OAH | 105.9° | 109.5° |
CAB | CAC | HAC | 108.2° | 109.5° |
HAB | CAB | HABA | 110.1° | 109.5° |
CAD | CAC | OAH | 107.0° | 109.5° |
CAD | CAC | HAC | 107.1° | 109.4° |
CAC | CAD | OAE | 107.7° | 109.5° |
CAC | CAD | HAD | 110.1° | 109.5° |
CAC | CAD | HADA | 110.1° | 109.5° |
OAH | CAC | HAC | 114.9° | 109.5° |
CAC | OAH | HOAH | 109.5° | 114.0° |
OAE | CAD | HAD | 110.1° | 109.5° |
OAE | CAD | HADA | 110.1° | 109.5° |
CAD | OAE | CAF | 128.4° | 117.0° |
HAD | CAD | HADA | 108.9° | 109.4° |
OAE | CAF | OAG | 117.0° | 120.0° |
OAE | CAF | CAI | 122.0° | 120.0° |
OAG | CAF | CAI | 120.9° | 120.0° |
CAF | CAI | HAI | 109.5° | 109.5° |
CAF | CAI | HAIA | 109.5° | 109.5° |
CAF | CAI | HAIB | 109.5° | 109.5° |
HAI | CAI | HAIA | 109.5° | 109.5° |
HAI | CAI | HAIB | 109.5° | 109.5° |
HAIA | CAI | HAIB | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAB | CAC | HAB | 120.0° | 120.0° |
OAA | CAB | CAC | HABA | 120.0° | 120.0° |
OAA | CAB | HAB | HABA | 119.2° | 119.9° |
OAA | CAB | CAC | CAD | 134.1° | 175.0° |
OAA | CAB | CAC | OAH | 108.5° | 65.0° |
OAA | CAB | CAC | HAC | 15.2° | 55.0° |
HOAA | OAA | CAB | CAC | 180.0° | 180.0° |
HOAA | OAA | CAB | HAB | 60.0° | 60.0° |
HOAA | OAA | CAB | HABA | 60.0° | 60.0° |
CAC | CAB | HAB | HABA | 119.3° | 120.1° |
CAB | CAC | CAD | OAH | 116.7° | 120.0° |
CAB | CAC | CAD | HAC | 119.6° | 120.0° |
CAB | CAC | OAH | HAC | 119.4° | 120.0° |
CAB | CAC | CAD | OAE | 119.5° | 175.0° |
CAB | CAC | CAD | HAD | 0.5° | 65.0° |
CAB | CAC | CAD | HADA | 120.5° | 55.0° |
CAB | CAC | OAH | HOAH | 180.0° | 60.0° |
HAB | CAB | CAC | CAD | 105.9° | 65.0° |
HAB | CAB | CAC | OAH | 11.5° | 55.0° |
HAB | CAB | CAC | HAC | 135.1° | 175.0° |
HABA | CAB | CAC | CAD | 14.1° | 55.0° |
HABA | CAB | CAC | OAH | 131.5° | 175.0° |
HABA | CAB | CAC | HAC | 104.8° | 64.9° |
CAD | CAC | OAH | HAC | 118.8° | 120.0° |
CAC | CAD | OAE | HAD | 120.0° | 120.0° |
CAC | CAD | OAE | HADA | 120.0° | 120.0° |
CAC | CAD | HAD | HADA | 120.7° | 120.0° |
CAC | CAD | OAE | CAF | 159.6° | 180.0° |
CAD | CAC | OAH | HOAH | 58.2° | 60.0° |
OAH | CAC | CAD | OAE | 2.7° | 65.0° |
OAH | CAC | CAD | HAD | 117.2° | 55.0° |
OAH | CAC | CAD | HADA | 122.8° | 175.0° |
HAC | CAC | CAD | OAE | 121.0° | 55.0° |
HAC | CAC | CAD | HAD | 119.1° | 175.0° |
HAC | CAC | CAD | HADA | 1.0° | 65.0° |
HAC | CAC | OAH | HOAH | 60.6° | 180.0° |
OAE | CAD | HAD | HADA | 120.7° | 120.0° |
CAD | OAE | CAF | OAG | 176.4° | 0.0° |
CAD | OAE | CAF | CAI | 2.5° | 180.0° |
HAD | CAD | OAE | CAF | 80.4° | 60.0° |
HADA | CAD | OAE | CAF | 39.6° | 60.0° |
OAE | CAF | OAG | CAI | 178.9° | 179.9° |
OAE | CAF | CAI | HAI | 178.9° | 90.0° |
OAE | CAF | CAI | HAIA | 61.1° | 150.0° |
OAE | CAF | CAI | HAIB | 58.9° | 30.1° |
OAG | CAF | CAI | HAI | 0.0° | 90.0° |
OAG | CAF | CAI | HAIA | 120.0° | 30.1° |
OAG | CAF | CAI | HAIB | 120.0° | 150.0° |
CAF | CAI | HAI | HAIA | 120.0° | 120.1° |
CAF | CAI | HAI | HAIB | 120.0° | 120.0° |
CAF | CAI | HAIA | HAIB | 120.0° | 120.0° |
HAI | CAI | HAIA | HAIB | 120.0° | 119.9° |