GM1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N1 | sing | 1.35Å | 1.34Å | |
C1 | O1 | doub | 1.21Å | 1.24Å | |
C1 | C2 | sing | 1.51Å | 1.51Å | |
N1 | HN11 | sing | 0.97Å | 1.01Å | |
N1 | HN12 | sing | 0.97Å | 1.01Å | |
C2 | N2 | sing | 1.47Å | 1.44Å | |
C2 | H21 | sing | 1.09Å | 1.11Å | |
C2 | H22 | sing | 1.09Å | 1.12Å | |
N2 | HN21 | sing | 1.01Å | 0.98Å | |
N2 | HN22 | sing | 1.01Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | C1 | O1 | 122.2° | 120.0° |
N1 | C1 | C2 | 114.4° | 120.1° |
C1 | N1 | HN11 | 120.4° | 120.0° |
C1 | N1 | HN12 | 113.6° | 119.9° |
O1 | C1 | C2 | 117.5° | 120.0° |
C1 | C2 | N2 | 117.9° | 109.5° |
C1 | C2 | H21 | 109.2° | 109.5° |
C1 | C2 | H22 | 109.2° | 109.5° |
HN11 | N1 | HN12 | 126.0° | 120.0° |
N2 | C2 | H21 | 109.2° | 109.5° |
N2 | C2 | H22 | 109.2° | 109.5° |
C2 | N2 | HN21 | 119.8° | 106.7° |
C2 | N2 | HN22 | 109.1° | 106.7° |
H21 | C2 | H22 | 100.9° | 109.4° |
HN21 | N2 | HN22 | 38.1° | 106.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C1 | O1 | C2 | 151.3° | 180.0° |
C1 | N1 | HN11 | HN12 | 179.0° | 180.0° |
N1 | C1 | C2 | N2 | 80.1° | 180.0° |
N1 | C1 | C2 | H21 | 154.6° | 60.0° |
N1 | C1 | C2 | H22 | 45.2° | 59.9° |
O1 | C1 | N1 | HN11 | 153.2° | 0.0° |
O1 | C1 | N1 | HN12 | 25.9° | 179.9° |
O1 | C1 | C2 | N2 | 126.4° | 0.0° |
O1 | C1 | C2 | H21 | 1.1° | 120.0° |
O1 | C1 | C2 | H22 | 108.3° | 120.0° |
C2 | C1 | N1 | HN11 | 1.1° | 180.0° |
C2 | C1 | N1 | HN12 | 178.0° | 0.0° |
C1 | C2 | N2 | H21 | 125.3° | 120.1° |
C1 | C2 | N2 | H22 | 125.3° | 120.0° |
C1 | C2 | H21 | H22 | 114.9° | 120.0° |
C1 | C2 | N2 | HN21 | 95.2° | 180.0° |
C1 | C2 | N2 | HN22 | 54.7° | 66.2° |
N2 | C2 | H21 | H22 | 114.9° | 120.0° |
C2 | N2 | HN21 | HN22 | 83.2° | 113.7° |
H21 | C2 | N2 | HN21 | 30.1° | 59.9° |
H21 | C2 | N2 | HN22 | 70.6° | 53.8° |
H22 | C2 | N2 | HN21 | 139.6° | 60.0° |
H22 | C2 | N2 | HN22 | 180.0° | 173.8° |