911
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | P1 | doub | 1.48Å | 1.56Å | |
P1 | O5 | sing | 1.61Å | 1.50Å | |
P1 | C7 | sing | 1.82Å | 1.82Å | |
P1 | O3 | sing | 1.61Å | 1.56Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
C16 | C7 | sing | 1.53Å | 1.50Å | |
C7 | O14 | sing | 1.43Å | 1.38Å | |
C7 | P8 | sing | 1.82Å | 1.82Å | |
P8 | O9 | doub | 1.48Å | 1.51Å | |
P8 | O10 | sing | 1.61Å | 1.56Å | |
P8 | O12 | sing | 1.61Å | 1.56Å | |
O10 | HO10 | sing | 0.97Å | 0.95Å | |
O12 | HO12 | sing | 0.97Å | 0.95Å | |
O14 | HO14 | sing | 0.97Å | 0.95Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
C16 | H16B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | P1 | O5 | 112.1° | 109.5° |
O2 | P1 | C7 | 108.5° | 109.5° |
O2 | P1 | O3 | 107.8° | 109.5° |
O5 | P1 | C7 | 111.2° | 109.5° |
O5 | P1 | O3 | 111.1° | 109.5° |
P1 | O5 | HO5 | 109.5° | 114.0° |
C7 | P1 | O3 | 105.8° | 109.4° |
P1 | C7 | C16 | 110.6° | 109.5° |
P1 | C7 | O14 | 108.3° | 109.5° |
P1 | C7 | P8 | 109.1° | 109.4° |
P1 | O3 | HO3 | 109.5° | 113.9° |
C16 | C7 | O14 | 110.5° | 109.5° |
C16 | C7 | P8 | 111.1° | 109.4° |
C7 | C16 | H16 | 109.5° | 109.5° |
C7 | C16 | H16A | 109.5° | 109.5° |
C7 | C16 | H16B | 109.5° | 109.4° |
O14 | C7 | P8 | 107.2° | 109.5° |
C7 | O14 | HO14 | 109.5° | 114.0° |
C7 | P8 | O9 | 112.8° | 109.5° |
C7 | P8 | O10 | 107.0° | 109.4° |
C7 | P8 | O12 | 104.8° | 109.4° |
O9 | P8 | O10 | 111.7° | 109.5° |
O9 | P8 | O12 | 111.8° | 109.5° |
O10 | P8 | O12 | 108.3° | 109.5° |
P8 | O10 | HO10 | 109.5° | 114.1° |
P8 | O12 | HO12 | 109.5° | 114.0° |
H16 | C16 | H16A | 109.5° | 109.5° |
H16 | C16 | H16B | 109.5° | 109.4° |
H16A | C16 | H16B | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | P1 | O5 | C7 | 121.7° | 120.0° |
O2 | P1 | O5 | O3 | 120.7° | 120.0° |
O2 | P1 | C7 | O3 | 115.5° | 120.0° |
O2 | P1 | O3 | HO3 | 0.0° | 60.1° |
O2 | P1 | O5 | HO5 | 0.0° | 180.0° |
O2 | P1 | C7 | C16 | 51.7° | 180.0° |
O2 | P1 | C7 | O14 | 69.5° | 60.0° |
O2 | P1 | C7 | P8 | 174.1° | 60.0° |
O5 | P1 | C7 | O3 | 120.8° | 120.0° |
O5 | P1 | O3 | HO3 | 123.2° | 60.0° |
O5 | P1 | C7 | C16 | 72.1° | 59.9° |
O5 | P1 | C7 | O14 | 166.7° | 180.0° |
O5 | P1 | C7 | P8 | 50.4° | 60.0° |
C7 | P1 | O3 | HO3 | 116.0° | 179.9° |
C7 | P1 | O5 | HO5 | 121.7° | 60.0° |
P1 | C7 | C16 | O14 | 119.9° | 120.0° |
P1 | C7 | C16 | P8 | 121.3° | 119.9° |
P1 | C7 | O14 | P8 | 117.5° | 120.0° |
P1 | C7 | P8 | O9 | 53.2° | 55.0° |
P1 | C7 | P8 | O10 | 176.5° | 65.0° |
P1 | C7 | P8 | O12 | 68.7° | 175.0° |
P1 | C7 | O14 | HO14 | 180.0° | 60.0° |
P1 | C7 | C16 | H16 | 180.0° | 59.9° |
P1 | C7 | C16 | H16A | 60.0° | 180.0° |
P1 | C7 | C16 | H16B | 60.0° | 60.0° |
O3 | P1 | O5 | HO5 | 120.7° | 60.0° |
O3 | P1 | C7 | C16 | 167.1° | 60.1° |
O3 | P1 | C7 | O14 | 45.9° | 60.0° |
O3 | P1 | C7 | P8 | 70.4° | 180.0° |
C16 | C7 | O14 | P8 | 121.2° | 120.0° |
C16 | C7 | P8 | O9 | 69.0° | 65.0° |
C16 | C7 | P8 | O10 | 54.3° | 175.0° |
C16 | C7 | P8 | O12 | 169.1° | 55.0° |
C16 | C7 | O14 | HO14 | 58.7° | 179.9° |
C7 | C16 | H16 | H16A | 120.0° | 120.0° |
C7 | C16 | H16 | H16B | 120.0° | 119.9° |
C7 | C16 | H16A | H16B | 120.0° | 119.9° |
O14 | C7 | P8 | O9 | 170.2° | 175.0° |
O14 | C7 | P8 | O10 | 66.5° | 55.0° |
O14 | C7 | P8 | O12 | 48.3° | 65.0° |
O14 | C7 | C16 | H16 | 60.1° | 180.0° |
O14 | C7 | C16 | H16A | 179.9° | 60.0° |
O14 | C7 | C16 | H16B | 59.9° | 60.0° |
C7 | P8 | O9 | O10 | 120.6° | 120.0° |
C7 | P8 | O9 | O12 | 117.8° | 120.0° |
C7 | P8 | O10 | O12 | 112.5° | 119.9° |
C7 | P8 | O10 | HO10 | 124.0° | 60.0° |
C7 | P8 | O12 | HO12 | 122.5° | 180.0° |
P8 | C7 | O14 | HO14 | 62.5° | 60.0° |
P8 | C7 | C16 | H16 | 58.7° | 60.0° |
P8 | C7 | C16 | H16A | 61.3° | 60.1° |
P8 | C7 | C16 | H16B | 178.7° | 180.0° |
O9 | P8 | O10 | O12 | 123.5° | 120.0° |
O9 | P8 | O10 | HO10 | 0.0° | 180.0° |
O9 | P8 | O12 | HO12 | 0.0° | 60.0° |
O10 | P8 | O12 | HO12 | 123.5° | 60.0° |
O12 | P8 | O10 | HO10 | 123.5° | 60.0° |
H16 | C16 | H16A | H16B | 120.0° | 120.0° |