035
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.51Å | 1.55Å | |
C1 | O8 | sing | 1.34Å | 1.29Å | |
C1 | O9 | doub | 1.21Å | 1.27Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | O10 | sing | 1.43Å | 1.43Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C6 | C7 | sing | 1.53Å | 1.53Å | |
C7 | O11 | sing | 1.43Å | 1.43Å | |
O10 | P12 | sing | 1.61Å | 1.64Å | |
O11 | P16 | sing | 1.61Å | 1.61Å | |
P12 | O13 | doub | 1.48Å | 1.49Å | |
P12 | O14 | sing | 1.61Å | 1.64Å | |
P12 | O15 | sing | 1.61Å | 1.59Å | |
P16 | O17 | sing | 1.61Å | 1.61Å | |
P16 | O18 | sing | 1.61Å | 1.63Å | |
P16 | O19 | doub | 1.48Å | 1.48Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H5A | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
O8 | HO8 | sing | 0.97Å | 0.95Å | |
O14 | HO14 | sing | 0.97Å | 0.95Å | |
O15 | HO15 | sing | 0.97Å | 0.95Å | |
O17 | HO17 | sing | 0.97Å | 0.95Å | |
O18 | HO18 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O8 | 119.4° | 120.0° |
C2 | C1 | O9 | 113.8° | 120.0° |
C1 | C2 | C3 | 111.5° | 109.5° |
C1 | C2 | O10 | 107.6° | 109.5° |
C1 | C2 | H2 | 109.8° | 109.5° |
O8 | C1 | O9 | 126.8° | 120.0° |
C1 | O8 | HO8 | 109.5° | 117.0° |
C3 | C2 | O10 | 110.6° | 109.4° |
C2 | C3 | C4 | 109.9° | 109.5° |
C3 | C2 | H2 | 106.7° | 109.4° |
C2 | C3 | H3 | 109.3° | 109.5° |
C2 | C3 | H3A | 109.3° | 109.5° |
C2 | O10 | P12 | 127.6° | 123.0° |
O10 | C2 | H2 | 110.6° | 109.5° |
C3 | C4 | C5 | 110.2° | 109.5° |
C4 | C3 | H3 | 109.4° | 109.5° |
C4 | C3 | H3A | 109.4° | 109.5° |
C3 | C4 | H4 | 109.2° | 109.5° |
C3 | C4 | H4A | 109.2° | 109.5° |
C4 | C5 | C6 | 111.6° | 109.5° |
C5 | C4 | H4 | 109.2° | 109.5° |
C5 | C4 | H4A | 109.2° | 109.5° |
C4 | C5 | H5 | 108.7° | 109.5° |
C4 | C5 | H5A | 108.8° | 109.4° |
C5 | C6 | C7 | 110.5° | 109.5° |
C6 | C5 | H5 | 108.8° | 109.5° |
C6 | C5 | H5A | 108.8° | 109.5° |
C5 | C6 | H6 | 109.1° | 109.5° |
C5 | C6 | H6A | 109.1° | 109.4° |
C6 | C7 | O11 | 107.9° | 109.5° |
C7 | C6 | H6 | 109.1° | 109.5° |
C7 | C6 | H6A | 109.1° | 109.5° |
C6 | C7 | H7 | 110.0° | 109.5° |
C6 | C7 | H7A | 110.0° | 109.5° |
C7 | O11 | P16 | 121.4° | 123.0° |
O11 | C7 | H7 | 110.0° | 109.5° |
O11 | C7 | H7A | 110.0° | 109.5° |
O10 | P12 | O13 | 108.8° | 109.5° |
O10 | P12 | O14 | 107.8° | 109.4° |
O10 | P12 | O15 | 110.9° | 109.4° |
O11 | P16 | O17 | 103.2° | 109.5° |
O11 | P16 | O18 | 108.4° | 109.5° |
O11 | P16 | O19 | 115.4° | 109.5° |
O13 | P12 | O14 | 109.2° | 109.5° |
O13 | P12 | O15 | 113.8° | 109.5° |
O14 | P12 | O15 | 106.1° | 109.5° |
P12 | O14 | HO14 | 109.5° | 114.0° |
P12 | O15 | HO15 | 109.5° | 113.9° |
O17 | P16 | O18 | 105.1° | 109.5° |
O17 | P16 | O19 | 112.9° | 109.5° |
P16 | O17 | HO17 | 109.5° | 114.0° |
O18 | P16 | O19 | 111.1° | 109.4° |
P16 | O18 | HO18 | 109.5° | 114.0° |
H3 | C3 | H3A | 109.6° | 109.4° |
H4 | C4 | H4A | 109.7° | 109.4° |
H5 | C5 | H5A | 110.2° | 109.5° |
H6 | C6 | H6A | 109.8° | 109.5° |
H7 | C7 | H7A | 109.0° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O8 | O9 | 179.2° | 179.8° |
C1 | C2 | C3 | O10 | 119.7° | 120.0° |
C1 | C2 | C3 | H2 | 119.9° | 120.0° |
C1 | C2 | O10 | H2 | 120.0° | 120.1° |
C1 | C2 | C3 | C4 | 74.4° | 175.0° |
C1 | C2 | O10 | P12 | 167.8° | 120.0° |
C1 | C2 | C3 | H3 | 165.5° | 65.0° |
C1 | C2 | C3 | H3A | 45.6° | 55.0° |
C2 | C1 | O8 | HO8 | 179.2° | 180.0° |
O8 | C1 | C2 | C3 | 11.1° | 65.1° |
O8 | C1 | C2 | O10 | 132.5° | 175.0° |
O8 | C1 | C2 | H2 | 107.0° | 54.9° |
O9 | C1 | C2 | C3 | 168.2° | 114.7° |
O9 | C1 | C2 | O10 | 46.8° | 5.2° |
O9 | C1 | C2 | H2 | 73.7° | 125.3° |
O9 | C1 | O8 | HO8 | 0.0° | 0.2° |
C3 | C2 | O10 | H2 | 118.1° | 120.0° |
C2 | C3 | C4 | H3 | 120.0° | 120.0° |
C2 | C3 | C4 | H3A | 120.0° | 120.0° |
C2 | C3 | C4 | C5 | 148.9° | 180.0° |
C3 | C2 | O10 | P12 | 70.2° | 120.0° |
C2 | C3 | H3 | H3A | 119.8° | 120.0° |
C2 | C3 | C4 | H4 | 91.1° | 60.0° |
C2 | C3 | C4 | H4A | 28.9° | 60.0° |
O10 | C2 | C3 | C4 | 165.9° | 65.0° |
C2 | O10 | P12 | O13 | 170.8° | 55.0° |
C2 | O10 | P12 | O14 | 70.9° | 65.0° |
C2 | O10 | P12 | O15 | 44.8° | 175.0° |
O10 | C2 | C3 | H3 | 45.9° | 55.0° |
O10 | C2 | C3 | H3A | 74.1° | 175.0° |
C3 | C4 | C5 | H4 | 120.0° | 120.0° |
C3 | C4 | C5 | H4A | 120.0° | 120.0° |
C3 | C4 | C5 | C6 | 76.0° | 180.0° |
C4 | C3 | C2 | H2 | 45.5° | 55.0° |
C4 | C3 | H3 | H3A | 119.9° | 120.0° |
C3 | C4 | H4 | H4A | 119.7° | 120.0° |
C3 | C4 | C5 | H5 | 163.9° | 60.0° |
C3 | C4 | C5 | H5A | 44.0° | 60.0° |
C4 | C5 | C6 | H5 | 120.0° | 120.0° |
C4 | C5 | C6 | H5A | 120.0° | 120.0° |
C4 | C5 | C6 | C7 | 158.8° | 180.0° |
C5 | C4 | C3 | H3 | 28.9° | 60.0° |
C5 | C4 | C3 | H3A | 91.1° | 60.0° |
C5 | C4 | H4 | H4A | 119.7° | 120.0° |
C4 | C5 | H5 | H5A | 119.1° | 120.0° |
C4 | C5 | C6 | H6 | 81.2° | 60.0° |
C4 | C5 | C6 | H6A | 38.8° | 60.0° |
C5 | C6 | C7 | H6 | 120.0° | 120.1° |
C5 | C6 | C7 | H6A | 120.0° | 119.9° |
C5 | C6 | C7 | O11 | 132.8° | 179.9° |
C6 | C5 | C4 | H4 | 44.0° | 60.0° |
C6 | C5 | C4 | H4A | 164.0° | 60.0° |
C6 | C5 | H5 | H5A | 119.1° | 120.0° |
C5 | C6 | H6 | H6A | 119.6° | 120.0° |
C5 | C6 | C7 | H7 | 107.2° | 59.9° |
C5 | C6 | C7 | H7A | 12.8° | 60.0° |
C6 | C7 | O11 | H7 | 120.0° | 120.0° |
C6 | C7 | O11 | H7A | 120.0° | 120.0° |
C6 | C7 | O11 | P16 | 171.0° | 179.9° |
C7 | C6 | C5 | H5 | 38.8° | 60.0° |
C7 | C6 | C5 | H5A | 81.2° | 60.1° |
C7 | C6 | H6 | H6A | 119.6° | 120.0° |
C6 | C7 | H7 | H7A | 120.7° | 120.0° |
C7 | O11 | P16 | O17 | 150.4° | 64.9° |
C7 | O11 | P16 | O18 | 39.2° | 175.0° |
C7 | O11 | P16 | O19 | 86.1° | 55.1° |
O11 | C7 | C6 | H6 | 12.8° | 60.0° |
O11 | C7 | C6 | H6A | 107.2° | 60.0° |
O11 | C7 | H7 | H7A | 120.6° | 120.0° |
O10 | P12 | O13 | O14 | 117.4° | 120.0° |
O10 | P12 | O13 | O15 | 124.2° | 120.0° |
O10 | P12 | O14 | O15 | 118.8° | 120.0° |
P12 | O10 | C2 | H2 | 47.9° | 0.0° |
O10 | P12 | O14 | HO14 | 118.1° | 60.0° |
O10 | P12 | O15 | HO15 | 123.1° | 180.0° |
O11 | P16 | O17 | O18 | 113.5° | 120.0° |
O11 | P16 | O17 | O19 | 125.2° | 120.0° |
O11 | P16 | O18 | O19 | 127.8° | 120.0° |
P16 | O11 | C7 | H7 | 51.0° | 60.1° |
P16 | O11 | C7 | H7A | 69.0° | 59.9° |
O11 | P16 | O17 | HO17 | 125.2° | 60.0° |
O11 | P16 | O18 | HO18 | 127.7° | 179.9° |
O13 | P12 | O14 | O15 | 123.1° | 120.0° |
O13 | P12 | O14 | HO14 | 0.0° | 179.9° |
O13 | P12 | O15 | HO15 | 0.0° | 60.0° |
O14 | P12 | O15 | HO15 | 120.1° | 60.0° |
O15 | P12 | O14 | HO14 | 123.1° | 59.9° |
O17 | P16 | O18 | O19 | 122.5° | 120.0° |
O17 | P16 | O18 | HO18 | 122.5° | 60.0° |
O18 | P16 | O17 | HO17 | 121.3° | 60.0° |
O19 | P16 | O17 | HO17 | 0.0° | 179.9° |
O19 | P16 | O18 | HO18 | 0.0° | 60.0° |
H2 | C2 | C3 | H3 | 74.6° | 175.0° |
H2 | C2 | C3 | H3A | 165.5° | 65.0° |
H3 | C3 | C4 | H4 | 148.9° | 180.0° |
H3 | C3 | C4 | H4A | 91.1° | 60.0° |
H3A | C3 | C4 | H4 | 28.9° | 60.0° |
H3A | C3 | C4 | H4A | 148.9° | 180.0° |
H4 | C4 | C5 | H5 | 76.1° | 180.0° |
H4 | C4 | C5 | H5A | 163.9° | 60.0° |
H4A | C4 | C5 | H5 | 44.0° | 60.0° |
H4A | C4 | C5 | H5A | 76.0° | 180.0° |
H5 | C5 | C6 | H6 | 158.8° | 180.0° |
H5 | C5 | C6 | H6A | 81.2° | 60.0° |
H5A | C5 | C6 | H6 | 38.8° | 60.0° |
H5A | C5 | C6 | H6A | 158.8° | 180.0° |
H6 | C6 | C7 | H7 | 132.8° | 180.0° |
H6 | C6 | C7 | H7A | 107.2° | 60.0° |
H6A | C6 | C7 | H7 | 12.8° | 60.0° |
H6A | C6 | C7 | H7A | 132.8° | 180.0° |