NMU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O2 | doub | 1.22Å | 1.24Å | |
C1 | N3 | sing | 1.35Å | 1.32Å | |
C1 | N4 | sing | 1.35Å | 1.34Å | |
N3 | HN31 | sing | 0.97Å | 1.00Å | |
N3 | HN32 | sing | 0.97Å | 1.00Å | |
N4 | C5 | sing | 1.46Å | 1.48Å | |
N4 | HN4 | sing | 0.97Å | 1.00Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
C5 | H53 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C1 | N3 | 117.9° | 120.0° |
O2 | C1 | N4 | 123.7° | 120.0° |
N3 | C1 | N4 | 118.3° | 120.1° |
C1 | N3 | HN31 | 124.2° | 120.0° |
C1 | N3 | HN32 | 111.6° | 120.0° |
C1 | N4 | C5 | 123.3° | 120.1° |
C1 | N4 | HN4 | 118.3° | 119.9° |
HN31 | N3 | HN32 | 124.2° | 120.0° |
C5 | N4 | HN4 | 118.3° | 120.0° |
N4 | C5 | H51 | 109.5° | 109.5° |
N4 | C5 | H52 | 109.5° | 109.5° |
N4 | C5 | H53 | 109.5° | 109.5° |
H51 | C5 | H52 | 109.5° | 109.5° |
H51 | C5 | H53 | 109.5° | 109.5° |
H52 | C5 | H53 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C1 | N3 | N4 | 180.0° | 180.0° |
O2 | C1 | N3 | HN31 | 180.0° | 180.0° |
O2 | C1 | N3 | HN32 | 0.0° | 0.0° |
O2 | C1 | N4 | C5 | 0.1° | 0.0° |
O2 | C1 | N4 | HN4 | 179.9° | 180.0° |
C1 | N3 | HN31 | HN32 | 180.0° | 180.0° |
N3 | C1 | N4 | C5 | 179.9° | 180.0° |
N3 | C1 | N4 | HN4 | 0.0° | 0.0° |
N4 | C1 | N3 | HN31 | 0.1° | 0.0° |
N4 | C1 | N3 | HN32 | 180.0° | 180.0° |
C1 | N4 | C5 | HN4 | 180.0° | 180.0° |
C1 | N4 | C5 | H51 | 84.4° | 180.0° |
C1 | N4 | C5 | H52 | 35.6° | 60.0° |
C1 | N4 | C5 | H53 | 155.6° | 60.0° |
N4 | C5 | H51 | H52 | 120.0° | 120.0° |
N4 | C5 | H51 | H53 | 120.0° | 120.0° |
N4 | C5 | H52 | H53 | 120.0° | 120.0° |
HN4 | N4 | C5 | H51 | 95.6° | 0.0° |
HN4 | N4 | C5 | H52 | 144.4° | 120.0° |
HN4 | N4 | C5 | H53 | 24.4° | 120.0° |
H51 | C5 | H52 | H53 | 120.0° | 120.0° |