TRS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | C1 | sing | 1.53Å | 1.54Å | |
C | C2 | sing | 1.53Å | 1.54Å | |
C | C3 | sing | 1.53Å | 1.55Å | |
C | N | sing | 1.47Å | 1.47Å | |
C1 | O1 | sing | 1.43Å | 1.40Å | |
C1 | H11 | sing | 1.09Å | 1.11Å | |
C1 | H12 | sing | 1.09Å | 1.11Å | |
C2 | O2 | sing | 1.43Å | 1.41Å | |
C2 | H21 | sing | 1.09Å | 1.12Å | |
C2 | H22 | sing | 1.09Å | 1.12Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C3 | H31 | sing | 1.09Å | 1.12Å | |
C3 | H32 | sing | 1.09Å | 1.12Å | |
N | HN1 | sing | 1.01Å | 1.02Å | |
N | HN2 | sing | 1.01Å | 1.02Å | |
N | HN3 | sing | 1.01Å | 1.02Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C | C2 | 107.3° | 109.4° |
C1 | C | C3 | 114.3° | 109.5° |
C1 | C | N | 101.8° | 109.5° |
C | C1 | O1 | 110.2° | 109.5° |
C | C1 | H11 | 112.0° | 109.5° |
C | C1 | H12 | 112.0° | 109.5° |
C2 | C | C3 | 107.1° | 109.4° |
C2 | C | N | 117.1° | 109.5° |
C | C2 | O2 | 114.9° | 109.5° |
C | C2 | H21 | 110.2° | 109.5° |
C | C2 | H22 | 110.3° | 109.5° |
C3 | C | N | 109.4° | 109.5° |
C | C3 | O3 | 116.4° | 109.4° |
C | C3 | H31 | 109.7° | 109.5° |
C | C3 | H32 | 109.7° | 109.5° |
C | N | HN1 | 101.8° | 109.5° |
C | N | HN2 | 115.1° | 109.5° |
C | N | HN3 | 115.1° | 109.5° |
O1 | C1 | H11 | 111.9° | 109.5° |
O1 | C1 | H12 | 111.9° | 109.5° |
C1 | O1 | HO1 | 110.2° | 106.8° |
H11 | C1 | H12 | 98.5° | 109.4° |
O2 | C2 | H21 | 110.2° | 109.5° |
O2 | C2 | H22 | 110.2° | 109.5° |
C2 | O2 | HO2 | 114.9° | 106.8° |
H21 | C2 | H22 | 100.0° | 109.4° |
O3 | C3 | H31 | 109.7° | 109.5° |
O3 | C3 | H32 | 109.7° | 109.4° |
C3 | O3 | HO3 | 116.3° | 106.8° |
H31 | C3 | H32 | 100.4° | 109.5° |
HN1 | N | HN2 | 115.1° | 109.5° |
HN1 | N | HN3 | 115.2° | 109.4° |
HN2 | N | HN3 | 95.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C | C2 | C3 | 123.2° | 120.0° |
C1 | C | C2 | N | 113.6° | 120.0° |
C1 | C | C3 | N | 113.4° | 120.0° |
C | C1 | O1 | H11 | 125.3° | 120.0° |
C | C1 | O1 | H12 | 125.3° | 120.0° |
C | C1 | H11 | H12 | 117.9° | 120.0° |
C1 | C | C2 | O2 | 14.5° | 65.0° |
C1 | C | C2 | H21 | 139.8° | 175.0° |
C1 | C | C2 | H22 | 110.8° | 55.0° |
C1 | C | C3 | O3 | 116.6° | 60.1° |
C1 | C | C3 | H31 | 8.7° | 59.9° |
C1 | C | C3 | H32 | 118.1° | 180.0° |
C1 | C | N | HN1 | 180.0° | 60.0° |
C1 | C | N | HN2 | 54.8° | 60.0° |
C1 | C | N | HN3 | 54.7° | 180.0° |
C | C1 | O1 | HO1 | 180.0° | 180.0° |
C2 | C | C3 | N | 127.9° | 120.0° |
C2 | C | C1 | O1 | 37.6° | 60.0° |
C2 | C | C1 | H11 | 162.9° | 180.0° |
C2 | C | C1 | H12 | 87.6° | 60.0° |
C | C2 | O2 | H21 | 125.3° | 120.0° |
C | C2 | O2 | H22 | 125.3° | 120.0° |
C | C2 | H21 | H22 | 116.1° | 120.0° |
C2 | C | C3 | O3 | 124.6° | 180.0° |
C2 | C | C3 | H31 | 110.0° | 60.0° |
C2 | C | C3 | H32 | 0.6° | 60.0° |
C2 | C | N | HN1 | 63.4° | 180.0° |
C2 | C | N | HN2 | 61.9° | 60.0° |
C2 | C | N | HN3 | 171.4° | 60.1° |
C | C2 | O2 | HO2 | 179.9° | 180.0° |
C3 | C | C1 | O1 | 81.0° | 60.0° |
C3 | C | C1 | H11 | 44.2° | 60.0° |
C3 | C | C1 | H12 | 153.8° | 180.0° |
C3 | C | C2 | O2 | 137.7° | 175.0° |
C3 | C | C2 | H21 | 97.0° | 55.0° |
C3 | C | C2 | H22 | 12.4° | 64.9° |
C | C3 | O3 | H31 | 125.3° | 120.0° |
C | C3 | O3 | H32 | 125.3° | 120.0° |
C | C3 | H31 | H32 | 115.5° | 120.1° |
C3 | C | N | HN1 | 58.7° | 60.0° |
C3 | C | N | HN2 | 176.1° | 180.0° |
C3 | C | N | HN3 | 66.6° | 59.9° |
C | C3 | O3 | HO3 | 180.0° | 180.0° |
N | C | C1 | O1 | 161.2° | 180.0° |
N | C | C1 | H11 | 73.6° | 60.0° |
N | C | C1 | H12 | 36.0° | 60.0° |
N | C | C2 | O2 | 99.1° | 55.0° |
N | C | C2 | H21 | 26.2° | 65.0° |
N | C | C2 | H22 | 135.6° | 175.0° |
N | C | C3 | O3 | 3.2° | 60.0° |
N | C | C3 | H31 | 122.1° | 180.0° |
N | C | C3 | H32 | 128.5° | 60.0° |
C | N | HN1 | HN2 | 125.2° | 120.0° |
C | N | HN1 | HN3 | 125.2° | 120.0° |
C | N | HN2 | HN3 | 121.0° | 120.0° |
O1 | C1 | H11 | H12 | 117.8° | 120.0° |
H11 | C1 | O1 | HO1 | 54.7° | 60.0° |
H12 | C1 | O1 | HO1 | 54.7° | 60.0° |
O2 | C2 | H21 | H22 | 116.1° | 120.0° |
H21 | C2 | O2 | HO2 | 54.8° | 60.0° |
H22 | C2 | O2 | HO2 | 54.6° | 60.0° |
O3 | C3 | H31 | H32 | 115.5° | 120.0° |
H31 | C3 | O3 | HO3 | 54.7° | 60.0° |
H32 | C3 | O3 | HO3 | 54.7° | 60.0° |
HN1 | N | HN2 | HN3 | 121.1° | 120.0° |