OM0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C4 | sing | 1.43Å | 1.41Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C6 | C5 | sing | 1.51Å | 1.49Å | |
C4 | C5 | sing | 1.50Å | 1.52Å | |
C4 | C3 | sing | 1.53Å | 1.52Å | |
O3 | C3 | sing | 1.43Å | 1.47Å | |
C5 | C5A | doub | 1.30Å | 1.29Å | |
C3 | C2 | sing | 1.53Å | 1.51Å | |
C5A | C1 | sing | 1.50Å | 1.48Å | |
C5A | BR5 | sing | 1.89Å | 1.95Å | |
C2 | C1 | sing | 1.53Å | 1.53Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
O6 | H1 | sing | 0.97Å | 0.95Å | |
C6 | H2 | sing | 1.09Å | 1.10Å | |
C6 | H3 | sing | 1.09Å | 1.10Å | |
C1 | H4 | sing | 1.09Å | 1.10Å | |
C2 | H6 | sing | 1.09Å | 1.10Å | |
O2 | H7 | sing | 0.97Å | 0.95Å | |
C3 | H8 | sing | 1.09Å | 1.10Å | |
O3 | H9 | sing | 0.97Å | 0.95Å | |
C4 | H10 | sing | 1.09Å | 1.10Å | |
O4 | H11 | sing | 0.97Å | 0.95Å | |
C1 | O1 | sing | 1.43Å | 1.48Å | |
O1 | H5 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4 | C4 | C5 | 112.2° | 109.4° |
O4 | C4 | C3 | 111.4° | 109.2° |
O4 | C4 | H10 | 107.9° | 109.2° |
C4 | O4 | H11 | 109.5° | 114.0° |
O6 | C6 | C5 | 109.1° | 109.4° |
C6 | O6 | H1 | 109.5° | 114.0° |
O6 | C6 | H2 | 109.6° | 109.5° |
O6 | C6 | H3 | 109.6° | 109.5° |
C6 | C5 | C4 | 116.3° | 118.0° |
C6 | C5 | C5A | 121.9° | 118.0° |
C5 | C6 | H2 | 109.6° | 109.5° |
C5 | C6 | H3 | 109.6° | 109.5° |
C5 | C4 | C3 | 111.7° | 110.1° |
C4 | C5 | C5A | 120.7° | 124.1° |
C5 | C4 | H10 | 106.7° | 109.4° |
C4 | C3 | O3 | 111.2° | 109.8° |
C4 | C3 | C2 | 110.0° | 108.3° |
C4 | C3 | H8 | 108.3° | 109.9° |
C3 | C4 | H10 | 106.6° | 109.5° |
O3 | C3 | C2 | 109.9° | 109.6° |
O3 | C3 | H8 | 109.0° | 109.6° |
C3 | O3 | H9 | 109.5° | 114.0° |
C5 | C5A | C1 | 126.2° | 124.0° |
C5 | C5A | BR5 | 121.0° | 118.0° |
C3 | C2 | C1 | 109.2° | 108.4° |
C3 | C2 | O2 | 110.2° | 109.7° |
C3 | C2 | H6 | 109.4° | 109.8° |
C2 | C3 | H8 | 108.4° | 109.6° |
C1 | C5A | BR5 | 112.7° | 118.0° |
C5A | C1 | C2 | 112.1° | 110.1° |
C5A | C1 | H4 | 110.3° | 109.3° |
C5A | C1 | O1 | 104.4° | 109.4° |
C1 | C2 | O2 | 108.2° | 109.6° |
C2 | C1 | H4 | 109.7° | 109.3° |
C1 | C2 | H6 | 109.2° | 109.7° |
C2 | C1 | O1 | 109.9° | 109.3° |
O2 | C2 | H6 | 110.7° | 109.6° |
C2 | O2 | H7 | 109.5° | 114.0° |
H2 | C6 | H3 | 109.5° | 109.4° |
H4 | C1 | O1 | 110.3° | 109.4° |
C1 | O1 | H5 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C4 | C5 | C6 | 46.8° | 42.6° |
O4 | C4 | C5 | C3 | 125.9° | 120.0° |
O4 | C4 | C5 | H10 | 118.0° | 119.6° |
O4 | C4 | C3 | H10 | 117.5° | 119.6° |
O4 | C4 | C3 | O3 | 62.1° | 70.4° |
O4 | C4 | C5 | C5A | 144.8° | 137.6° |
O4 | C4 | C3 | C2 | 175.9° | 170.0° |
O4 | C4 | C3 | H8 | 57.6° | 50.2° |
O6 | C6 | C5 | H2 | 119.9° | 120.1° |
O6 | C6 | C5 | H3 | 119.9° | 120.0° |
O6 | C6 | C5 | C4 | 73.9° | 54.4° |
O6 | C6 | C5 | C5A | 94.4° | 125.4° |
O6 | C6 | H2 | H3 | 120.2° | 120.0° |
C6 | C5 | C4 | C5A | 168.4° | 179.8° |
C6 | C5 | C4 | C3 | 172.7° | 162.7° |
C6 | C5 | C5A | C1 | 168.8° | 179.5° |
C6 | C5 | C5A | BR5 | 8.5° | 0.5° |
C5 | C6 | O6 | H1 | 180.0° | 179.9° |
C5 | C6 | H2 | H3 | 120.2° | 120.0° |
C6 | C5 | C4 | H10 | 71.2° | 76.9° |
C5 | C4 | C3 | H10 | 116.1° | 120.3° |
C5 | C4 | C3 | O3 | 171.5° | 169.4° |
C5 | C4 | C3 | C2 | 49.5° | 49.8° |
C4 | C5 | C5A | C1 | 1.0° | 0.7° |
C4 | C5 | C5A | BR5 | 176.2° | 179.3° |
C4 | C5 | C6 | H2 | 46.1° | 65.7° |
C4 | C5 | C6 | H3 | 166.2° | 174.3° |
C5 | C4 | C3 | H8 | 68.8° | 69.9° |
C5 | C4 | O4 | H11 | 180.0° | 59.9° |
C4 | C3 | O3 | C2 | 122.1° | 118.8° |
C4 | C3 | O3 | H8 | 119.3° | 120.8° |
C3 | C4 | C5 | C5A | 18.9° | 17.6° |
C4 | C3 | C2 | H8 | 118.2° | 119.9° |
C4 | C3 | C2 | C1 | 62.7° | 67.7° |
C4 | C3 | C2 | O2 | 178.6° | 172.7° |
C4 | C3 | C2 | H6 | 56.7° | 52.1° |
C4 | C3 | O3 | H9 | 180.0° | 61.2° |
C3 | C4 | O4 | H11 | 54.0° | 179.6° |
O3 | C3 | C2 | H8 | 119.0° | 120.4° |
O3 | C3 | C2 | C1 | 174.5° | 172.6° |
O3 | C3 | C2 | O2 | 55.8° | 53.0° |
O3 | C3 | C2 | H6 | 66.1° | 67.6° |
O3 | C3 | C4 | H10 | 55.4° | 49.1° |
C5 | C5A | C1 | BR5 | 177.4° | 179.9° |
C5 | C5A | C1 | C2 | 14.0° | 17.1° |
C5A | C5 | C6 | H2 | 145.7° | 114.5° |
C5A | C5 | C6 | H3 | 25.5° | 5.5° |
C5 | C5A | C1 | H4 | 136.6° | 137.3° |
C5A | C5 | C4 | H10 | 97.2° | 102.8° |
C5 | C5A | C1 | O1 | 104.9° | 103.0° |
C3 | C2 | C1 | C5A | 44.0° | 49.5° |
C3 | C2 | C1 | O2 | 120.0° | 119.7° |
C3 | C2 | C1 | H6 | 119.5° | 119.9° |
C3 | C2 | O2 | H6 | 121.1° | 120.7° |
C3 | C2 | C1 | H4 | 166.9° | 169.6° |
C3 | C2 | O2 | H7 | 180.0° | 178.9° |
C2 | C3 | O3 | H9 | 57.9° | 180.0° |
C2 | C3 | C4 | H10 | 66.6° | 70.5° |
C3 | C2 | C1 | O1 | 71.7° | 70.7° |
C5A | C1 | C2 | H4 | 122.9° | 120.2° |
C5A | C1 | C2 | O1 | 115.7° | 120.2° |
C5A | C1 | C2 | O2 | 164.0° | 169.1° |
C5A | C1 | H4 | O1 | 114.8° | 119.7° |
C5A | C1 | C2 | H6 | 75.5° | 70.4° |
C5A | C1 | O1 | H5 | 180.0° | 59.9° |
BR5 | C5A | C1 | C2 | 163.4° | 162.8° |
BR5 | C5A | C1 | H4 | 40.8° | 42.7° |
BR5 | C5A | C1 | O1 | 77.6° | 77.1° |
C1 | C2 | O2 | H6 | 119.6° | 120.4° |
C2 | C1 | H4 | O1 | 121.2° | 119.6° |
C1 | C2 | O2 | H7 | 60.7° | 60.0° |
C1 | C2 | C3 | H8 | 55.5° | 52.3° |
C2 | C1 | O1 | H5 | 59.5° | 179.4° |
O2 | C2 | C1 | H4 | 73.1° | 70.7° |
O2 | C2 | C3 | H8 | 63.2° | 67.4° |
O2 | C2 | C1 | O1 | 48.3° | 49.0° |
H1 | O6 | C6 | H2 | 60.0° | 60.0° |
H1 | O6 | C6 | H3 | 60.1° | 60.0° |
H4 | C1 | C2 | H6 | 47.4° | 49.7° |
H4 | C1 | O1 | H5 | 61.5° | 59.8° |
H6 | C2 | O2 | H7 | 58.9° | 60.4° |
H6 | C2 | C3 | H8 | 174.8° | 172.1° |
H6 | C2 | C1 | O1 | 168.8° | 169.4° |
H8 | C3 | O3 | H9 | 60.7° | 59.6° |
H8 | C3 | C4 | H10 | 175.1° | 169.8° |
H10 | C4 | O4 | H11 | 62.7° | 59.8° |