URE
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | O | doub | 1.21Å | 1.27Å | |
C | N1 | sing | 1.35Å | 1.34Å | |
C | N2 | sing | 1.35Å | 1.35Å | |
N1 | HN11 | sing | 0.97Å | 1.02Å | |
N1 | HN12 | sing | 0.97Å | 1.02Å | |
N2 | HN21 | sing | 0.97Å | 1.02Å | |
N2 | HN22 | sing | 0.97Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | N1 | 125.3° | 120.0° |
O | C | N2 | 114.2° | 120.0° |
N1 | C | N2 | 120.5° | 120.1° |
C | N1 | HN11 | 125.3° | 120.0° |
C | N1 | HN12 | 106.6° | 120.0° |
C | N2 | HN21 | 120.5° | 120.0° |
C | N2 | HN22 | 114.2° | 120.0° |
HN11 | N1 | HN12 | 106.7° | 120.0° |
HN21 | N2 | HN22 | 125.3° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | N1 | N2 | 179.5° | 180.0° |
O | C | N1 | HN11 | 180.0° | 0.0° |
O | C | N1 | HN12 | 54.8° | 179.8° |
O | C | N2 | HN21 | 0.5° | 0.0° |
O | C | N2 | HN22 | 180.0° | 180.0° |
C | N1 | HN11 | HN12 | 125.3° | 179.8° |
N1 | C | N2 | HN21 | 180.0° | 180.0° |
N1 | C | N2 | HN22 | 0.5° | 0.0° |
N2 | C | N1 | HN11 | 0.5° | 180.0° |
N2 | C | N1 | HN12 | 124.7° | 0.2° |
C | N2 | HN21 | HN22 | 179.4° | 180.0° |