MMU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | CAA | sing | 1.46Å | 1.48Å | |
N1 | CAF | sing | 1.35Å | 1.34Å | |
N2 | CAB | sing | 1.46Å | 1.48Å | |
N2 | CAF | sing | 1.35Å | 1.33Å | |
OAC | CAF | doub | 1.21Å | 1.24Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | HAAB | sing | 1.09Å | 1.10Å | |
CAB | HAB | sing | 1.09Å | 1.10Å | |
CAB | HABA | sing | 1.09Å | 1.10Å | |
CAB | HABB | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAA | N1 | CAF | 118.5° | 120.0° |
CAA | N1 | HN1 | 120.8° | 120.0° |
N1 | CAA | HAA | 109.5° | 109.5° |
N1 | CAA | HAAA | 109.4° | 109.5° |
N1 | CAA | HAAB | 109.5° | 109.5° |
N1 | CAF | N2 | 116.9° | 120.0° |
N1 | CAF | OAC | 122.1° | 120.0° |
CAF | N1 | HN1 | 120.7° | 120.0° |
CAB | N2 | CAF | 116.9° | 120.0° |
CAB | N2 | HN2 | 121.6° | 120.0° |
N2 | CAB | HAB | 109.5° | 109.5° |
N2 | CAB | HABA | 109.4° | 109.5° |
N2 | CAB | HABB | 109.5° | 109.5° |
N2 | CAF | OAC | 121.0° | 120.0° |
CAF | N2 | HN2 | 121.6° | 120.0° |
HAA | CAA | HAAA | 109.5° | 109.5° |
HAA | CAA | HAAB | 109.5° | 109.4° |
HAAA | CAA | HAAB | 109.5° | 109.5° |
HAB | CAB | HABA | 109.5° | 109.4° |
HAB | CAB | HABB | 109.5° | 109.5° |
HABA | CAB | HABB | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAA | N1 | CAF | HN1 | 180.0° | 179.7° |
CAA | N1 | CAF | N2 | 179.8° | 180.0° |
CAA | N1 | CAF | OAC | 0.3° | 0.0° |
N1 | CAA | HAA | HAAA | 120.0° | 120.0° |
N1 | CAA | HAA | HAAB | 120.0° | 120.0° |
N1 | CAA | HAAA | HAAB | 120.0° | 120.0° |
N1 | CAF | N2 | CAB | 179.8° | 180.0° |
N1 | CAF | N2 | OAC | 179.6° | 180.0° |
N1 | CAF | N2 | HN2 | 0.2° | 0.0° |
CAF | N1 | CAA | HAA | 180.0° | 60.0° |
CAF | N1 | CAA | HAAA | 60.0° | 180.0° |
CAF | N1 | CAA | HAAB | 60.0° | 60.0° |
CAB | N2 | CAF | HN2 | 180.0° | 180.0° |
CAB | N2 | CAF | OAC | 0.6° | 0.0° |
N2 | CAB | HAB | HABA | 120.0° | 120.0° |
N2 | CAB | HAB | HABB | 120.0° | 120.0° |
N2 | CAB | HABA | HABB | 120.0° | 120.0° |
N2 | CAF | N1 | HN1 | 0.2° | 0.3° |
CAF | N2 | CAB | HAB | 180.0° | 60.0° |
CAF | N2 | CAB | HABA | 60.0° | 60.0° |
CAF | N2 | CAB | HABB | 60.0° | 180.0° |
OAC | CAF | N1 | HN1 | 179.8° | 179.7° |
OAC | CAF | N2 | HN2 | 179.4° | 180.0° |
HN1 | N1 | CAA | HAA | 0.0° | 120.3° |
HN1 | N1 | CAA | HAAA | 120.0° | 0.3° |
HN1 | N1 | CAA | HAAB | 120.0° | 119.7° |
HN2 | N2 | CAB | HAB | 0.0° | 120.0° |
HN2 | N2 | CAB | HABA | 120.0° | 120.0° |
HN2 | N2 | CAB | HABB | 120.0° | 0.0° |
HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
HAB | CAB | HABA | HABB | 120.0° | 120.0° |