RAT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1A | sing | 1.34Å | 1.26Å | |
O1A | HO1A | sing | 0.97Å | 0.95Å | |
C2 | C1 | sing | 1.51Å | 1.53Å | |
O1B | C1 | doub | 1.21Å | 1.25Å | |
O2 | C2 | sing | 1.43Å | 1.44Å | |
C3 | C2 | sing | 1.53Å | 1.55Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C4 | C3 | sing | 1.53Å | 1.57Å | |
O3 | C3 | sing | 1.43Å | 1.44Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C5 | C4 | sing | 1.51Å | 1.56Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O5A | C5 | doub | 1.21Å | 1.25Å | |
O5B | C5 | sing | 1.34Å | 1.26Å | |
O5B | HO5B | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | O1A | HO1A | 109.5° | 117.1° |
O1A | C1 | C2 | 117.4° | 120.0° |
O1A | C1 | O1B | 125.4° | 120.0° |
C2 | C1 | O1B | 117.3° | 120.0° |
C1 | C2 | O2 | 108.6° | 109.4° |
C1 | C2 | C3 | 111.5° | 109.5° |
C1 | C2 | H2 | 108.9° | 109.5° |
O2 | C2 | C3 | 110.3° | 109.5° |
O2 | C2 | H2 | 110.2° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C3 | C2 | H2 | 107.2° | 109.5° |
C2 | C3 | C4 | 113.4° | 109.4° |
C2 | C3 | O3 | 109.6° | 109.4° |
C2 | C3 | H3 | 106.7° | 109.5° |
C4 | C3 | O3 | 109.5° | 109.5° |
C4 | C3 | H3 | 106.8° | 109.5° |
C3 | C4 | C5 | 113.4° | 109.4° |
C3 | C4 | O4 | 111.3° | 109.4° |
C3 | C4 | H4 | 104.9° | 109.5° |
O3 | C3 | H3 | 110.8° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.1° |
C5 | C4 | O4 | 107.8° | 109.5° |
C5 | C4 | H4 | 108.6° | 109.5° |
C4 | C5 | O5A | 118.6° | 120.0° |
C4 | C5 | O5B | 116.6° | 120.0° |
O4 | C4 | H4 | 110.8° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
O5A | C5 | O5B | 124.7° | 120.0° |
C5 | O5B | HO5B | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1A | C1 | C2 | O1B | 179.9° | 180.0° |
O1A | C1 | C2 | O2 | 162.2° | 175.0° |
O1A | C1 | C2 | C3 | 76.0° | 65.0° |
O1A | C1 | C2 | H2 | 42.1° | 55.0° |
HO1A | O1A | C1 | C2 | 179.9° | 180.0° |
HO1A | O1A | C1 | O1B | 0.0° | 0.0° |
C1 | C2 | O2 | C3 | 122.6° | 120.0° |
C1 | C2 | O2 | H2 | 119.3° | 120.0° |
C1 | C2 | C3 | H2 | 119.2° | 120.0° |
C1 | C2 | O2 | HO2 | 50.2° | 60.0° |
C1 | C2 | C3 | C4 | 172.8° | 180.0° |
C1 | C2 | C3 | O3 | 64.4° | 60.0° |
C1 | C2 | C3 | H3 | 55.6° | 60.0° |
O1B | C1 | C2 | O2 | 17.8° | 5.0° |
O1B | C1 | C2 | C3 | 104.1° | 115.0° |
O1B | C1 | C2 | H2 | 137.8° | 125.0° |
O2 | C2 | C3 | H2 | 120.0° | 120.0° |
O2 | C2 | C3 | C4 | 66.3° | 60.0° |
O2 | C2 | C3 | O3 | 56.4° | 180.0° |
O2 | C2 | C3 | H3 | 176.4° | 60.0° |
C3 | C2 | O2 | HO2 | 172.8° | 60.0° |
C2 | C3 | C4 | O3 | 122.8° | 120.0° |
C2 | C3 | C4 | H3 | 117.2° | 120.0° |
C2 | C3 | O3 | H3 | 117.5° | 120.0° |
C2 | C3 | O3 | HO3 | 91.4° | 60.0° |
C2 | C3 | C4 | C5 | 82.5° | 175.0° |
C2 | C3 | C4 | O4 | 155.8° | 55.0° |
C2 | C3 | C4 | H4 | 35.9° | 65.0° |
H2 | C2 | O2 | HO2 | 69.1° | 180.0° |
H2 | C2 | C3 | C4 | 53.7° | 60.0° |
H2 | C2 | C3 | O3 | 176.4° | 60.0° |
H2 | C2 | C3 | H3 | 63.6° | 180.0° |
C4 | C3 | O3 | H3 | 117.5° | 120.0° |
C4 | C3 | O3 | HO3 | 33.5° | 59.9° |
C3 | C4 | C5 | O4 | 123.7° | 120.0° |
C3 | C4 | C5 | H4 | 116.2° | 120.0° |
C3 | C4 | O4 | H4 | 116.3° | 120.0° |
C3 | C4 | O4 | HO4 | 129.2° | 60.1° |
C3 | C4 | C5 | O5A | 105.8° | 115.0° |
C3 | C4 | C5 | O5B | 75.1° | 65.0° |
O3 | C3 | C4 | C5 | 40.3° | 55.0° |
O3 | C3 | C4 | O4 | 81.4° | 65.0° |
O3 | C3 | C4 | H4 | 158.7° | 175.1° |
H3 | C3 | O3 | HO3 | 151.1° | 179.9° |
H3 | C3 | C4 | C5 | 160.3° | 65.0° |
H3 | C3 | C4 | O4 | 38.6° | 175.0° |
H3 | C3 | C4 | H4 | 81.3° | 55.0° |
C5 | C4 | O4 | H4 | 118.7° | 120.1° |
C5 | C4 | O4 | HO4 | 4.3° | 59.9° |
C4 | C5 | O5A | O5B | 179.0° | 180.0° |
C4 | C5 | O5B | HO5B | 179.0° | 180.0° |
O4 | C4 | C5 | O5A | 17.9° | 5.0° |
O4 | C4 | C5 | O5B | 161.2° | 175.0° |
H4 | C4 | O4 | HO4 | 114.5° | 180.0° |
H4 | C4 | C5 | O5A | 138.0° | 125.0° |
H4 | C4 | C5 | O5B | 41.1° | 54.9° |
O5A | C5 | O5B | HO5B | 0.0° | 0.0° |