EIP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | P4 | sing | 1.61Å | 1.34Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O2 | P4 | sing | 1.61Å | 1.50Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | P4 | doub | 1.48Å | 1.52Å | |
P4 | O5 | sing | 1.61Å | 1.53Å | |
O5 | P8 | sing | 1.61Å | 1.53Å | |
O6 | P8 | sing | 1.61Å | 1.35Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
O7 | P8 | doub | 1.48Å | 1.51Å | |
P8 | O9 | sing | 1.61Å | 1.53Å | |
O9 | C10 | sing | 1.43Å | 1.43Å | |
C10 | C11 | sing | 1.53Å | 1.54Å | |
C10 | H101 | sing | 1.09Å | 1.12Å | |
C10 | H102 | sing | 1.09Å | 1.12Å | |
C11 | C12 | sing | 1.53Å | 1.55Å | |
C11 | H111 | sing | 1.09Å | 1.11Å | |
C11 | H112 | sing | 1.09Å | 1.11Å | |
C12 | C13 | sing | 1.53Å | 1.54Å | |
C12 | C14 | sing | 1.53Å | 1.54Å | |
C12 | H12 | sing | 1.09Å | 1.11Å | |
C13 | O15 | sing | 1.43Å | 1.43Å | |
C13 | H131 | sing | 1.09Å | 1.12Å | |
C13 | H132 | sing | 1.09Å | 1.12Å | |
C14 | H141 | sing | 1.09Å | 1.11Å | |
C14 | H142 | sing | 1.09Å | 1.11Å | |
C14 | H143 | sing | 1.09Å | 1.11Å | |
O15 | H15 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P4 | O1 | HO1 | 108.4° | 106.8° |
O1 | P4 | O2 | 108.3° | 109.5° |
O1 | P4 | O3 | 111.2° | 109.4° |
O1 | P4 | O5 | 113.0° | 109.5° |
P4 | O2 | HO2 | 108.3° | 106.8° |
O2 | P4 | O3 | 104.1° | 109.4° |
O2 | P4 | O5 | 109.9° | 109.6° |
O3 | P4 | O5 | 110.0° | 109.4° |
P4 | O5 | P8 | 129.0° | 106.8° |
O5 | P8 | O6 | 115.0° | 109.5° |
O5 | P8 | O7 | 107.0° | 109.5° |
O5 | P8 | O9 | 106.7° | 109.4° |
P8 | O6 | HO6 | 115.0° | 106.8° |
O6 | P8 | O7 | 111.9° | 109.5° |
O6 | P8 | O9 | 114.1° | 109.4° |
O7 | P8 | O9 | 101.1° | 109.5° |
P8 | O9 | C10 | 113.5° | 106.8° |
O9 | C10 | C11 | 111.9° | 109.5° |
O9 | C10 | H101 | 111.3° | 109.4° |
O9 | C10 | H102 | 111.3° | 109.5° |
C11 | C10 | H101 | 111.3° | 109.5° |
C11 | C10 | H102 | 111.4° | 109.4° |
C10 | C11 | C12 | 108.9° | 109.5° |
C10 | C11 | H111 | 112.4° | 109.5° |
C10 | C11 | H112 | 112.4° | 109.5° |
H101 | C10 | H102 | 99.0° | 109.5° |
C12 | C11 | H111 | 112.4° | 109.4° |
C12 | C11 | H112 | 112.4° | 109.4° |
C11 | C12 | C13 | 110.4° | 109.5° |
C11 | C12 | C14 | 108.4° | 109.5° |
C11 | C12 | H12 | 109.3° | 109.4° |
H111 | C11 | H112 | 98.1° | 109.5° |
C13 | C12 | C14 | 108.7° | 109.5° |
C13 | C12 | H12 | 109.0° | 109.5° |
C12 | C13 | O15 | 111.4° | 109.5° |
C12 | C13 | H131 | 111.5° | 109.4° |
C12 | C13 | H132 | 111.5° | 109.5° |
C14 | C12 | H12 | 111.0° | 109.5° |
C12 | C14 | H141 | 108.4° | 109.4° |
C12 | C14 | H142 | 112.6° | 109.4° |
C12 | C14 | H143 | 112.6° | 109.5° |
O15 | C13 | H131 | 111.5° | 109.5° |
O15 | C13 | H132 | 111.5° | 109.4° |
C13 | O15 | H15 | 111.4° | 106.8° |
H131 | C13 | H132 | 98.8° | 109.5° |
H141 | C14 | H142 | 112.6° | 109.5° |
H141 | C14 | H143 | 112.7° | 109.5° |
H142 | C14 | H143 | 97.9° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | P4 | O2 | O3 | 118.4° | 119.9° |
O1 | P4 | O2 | O5 | 123.8° | 120.1° |
O1 | P4 | O2 | HO2 | 180.0° | 60.1° |
O1 | P4 | O3 | O5 | 125.9° | 120.0° |
O1 | P4 | O5 | P8 | 75.1° | 179.9° |
HO1 | O1 | P4 | O2 | 180.0° | 59.9° |
HO1 | O1 | P4 | O3 | 66.2° | 60.1° |
HO1 | O1 | P4 | O5 | 58.0° | 180.0° |
O2 | P4 | O3 | O5 | 117.7° | 120.1° |
O2 | P4 | O5 | P8 | 45.9° | 60.0° |
HO2 | O2 | P4 | O3 | 61.6° | 180.0° |
HO2 | O2 | P4 | O5 | 56.2° | 60.0° |
O3 | P4 | O5 | P8 | 160.0° | 60.0° |
P4 | O5 | P8 | O6 | 103.0° | 60.0° |
P4 | O5 | P8 | O7 | 21.9° | 60.1° |
P4 | O5 | P8 | O9 | 129.4° | 179.9° |
O5 | P8 | O6 | O7 | 122.3° | 120.0° |
O5 | P8 | O6 | O9 | 123.7° | 119.9° |
O5 | P8 | O6 | HO6 | 180.0° | 59.9° |
O5 | P8 | O7 | O9 | 111.5° | 120.0° |
O5 | P8 | O9 | C10 | 60.0° | 180.0° |
O6 | P8 | O7 | O9 | 121.8° | 120.0° |
O6 | P8 | O9 | C10 | 68.1° | 60.0° |
HO6 | O6 | P8 | O7 | 57.7° | 180.0° |
HO6 | O6 | P8 | O9 | 56.3° | 60.0° |
O7 | P8 | O9 | C10 | 171.7° | 60.0° |
P8 | O9 | C10 | C11 | 179.5° | 180.0° |
P8 | O9 | C10 | H101 | 54.3° | 60.0° |
P8 | O9 | C10 | H102 | 55.1° | 60.0° |
O9 | C10 | C11 | H101 | 125.3° | 120.0° |
O9 | C10 | C11 | H102 | 125.3° | 120.0° |
O9 | C10 | H101 | H102 | 117.1° | 120.0° |
O9 | C10 | C11 | C12 | 55.3° | 180.0° |
O9 | C10 | C11 | H111 | 179.4° | 60.0° |
O9 | C10 | C11 | H112 | 69.9° | 60.0° |
C11 | C10 | H101 | H102 | 117.3° | 120.0° |
C10 | C11 | C12 | H111 | 125.2° | 120.0° |
C10 | C11 | C12 | H112 | 125.2° | 120.0° |
C10 | C11 | H111 | H112 | 118.3° | 120.0° |
C10 | C11 | C12 | C13 | 24.5° | NaN° |
C10 | C11 | C12 | C14 | 143.5° | 60.0° |
C10 | C11 | C12 | H12 | 95.4° | 60.0° |
H101 | C10 | C11 | C12 | 69.9° | 60.1° |
H101 | C10 | C11 | H111 | 55.3° | 180.0° |
H101 | C10 | C11 | H112 | 164.8° | 59.9° |
H102 | C10 | C11 | C12 | 179.4° | 60.0° |
H102 | C10 | C11 | H111 | 54.2° | 60.0° |
H102 | C10 | C11 | H112 | 55.4° | 179.9° |
C12 | C11 | H111 | H112 | 118.4° | 120.0° |
C11 | C12 | C13 | C14 | 118.8° | 120.0° |
C11 | C12 | C13 | H12 | 120.1° | 119.9° |
C11 | C12 | C14 | H12 | 120.1° | 120.0° |
C11 | C12 | C13 | O15 | 55.2° | 180.0° |
C11 | C12 | C13 | H131 | 179.5° | 60.0° |
C11 | C12 | C13 | H132 | 70.0° | 60.1° |
C11 | C12 | C14 | H141 | 180.0° | 60.0° |
C11 | C12 | C14 | H142 | 54.8° | 60.0° |
C11 | C12 | C14 | H143 | 54.7° | 180.0° |
H111 | C11 | C12 | C13 | 100.7° | 60.0° |
H111 | C11 | C12 | C14 | 18.3° | 60.0° |
H111 | C11 | C12 | H12 | 139.4° | 180.0° |
H112 | C11 | C12 | C13 | 149.7° | 60.0° |
H112 | C11 | C12 | C14 | 91.2° | 180.0° |
H112 | C11 | C12 | H12 | 29.9° | 60.0° |
C13 | C12 | C14 | H12 | 119.9° | 120.0° |
C12 | C13 | O15 | H131 | 125.3° | 120.0° |
C12 | C13 | O15 | H132 | 125.3° | 120.0° |
C12 | C13 | H131 | H132 | 117.5° | 120.0° |
C13 | C12 | C14 | H141 | 59.9° | 60.1° |
C13 | C12 | C14 | H142 | 65.3° | 180.0° |
C13 | C12 | C14 | H143 | 174.8° | 60.0° |
C12 | C13 | O15 | H15 | 180.0° | 180.0° |
C14 | C12 | C13 | O15 | 63.6° | 60.0° |
C14 | C12 | C13 | H131 | 61.7° | 180.0° |
C14 | C12 | C13 | H132 | 171.2° | 60.0° |
C12 | C14 | H141 | H142 | 125.2° | 119.9° |
C12 | C14 | H141 | H143 | 125.2° | 120.0° |
C12 | C14 | H142 | H143 | 118.5° | 120.0° |
H12 | C12 | C13 | O15 | 175.3° | 60.0° |
H12 | C12 | C13 | H131 | 59.4° | 59.9° |
H12 | C12 | C13 | H132 | 50.1° | 180.0° |
H12 | C12 | C14 | H141 | 59.9° | 179.9° |
H12 | C12 | C14 | H142 | 174.8° | 60.0° |
H12 | C12 | C14 | H143 | 65.4° | 60.0° |
O15 | C13 | H131 | H132 | 117.4° | 120.0° |
H131 | C13 | O15 | H15 | 54.8° | 60.0° |
H132 | C13 | O15 | H15 | 54.7° | 60.0° |
H141 | C14 | H142 | H143 | 118.6° | 120.1° |