PRD_002547
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C1 | O1 | sing | 1.43Å | 1.38Å | |
C1 | O5 | sing | 1.43Å | 1.45Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.50Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O6 | sing | 1.43Å | 1.44Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H7 | sing | 1.09Å | 1.10Å | |
O2 | H8 | sing | 0.97Å | 0.95Å | |
O3 | H9 | sing | 0.97Å | 0.95Å | |
O4 | H10 | sing | 0.97Å | 0.95Å | |
O6 | H11 | sing | 0.97Å | 0.95Å | |
C7 | C8 | sing | 1.53Å | 1.53Å | |
C7 | O7 | sing | 1.43Å | 1.44Å | |
C7 | H12 | sing | 1.09Å | 1.10Å | |
C7 | H13 | sing | 1.09Å | 1.10Å | |
C8 | C9 | sing | 1.54Å | 1.54Å | |
C8 | O10 | sing | 1.44Å | 1.42Å | |
C9 | C10 | sing | 1.55Å | 1.54Å | |
C9 | O8 | sing | 1.43Å | 1.43Å | |
C9 | H14 | sing | 1.09Å | 1.10Å | |
C10 | C11 | sing | 1.55Å | 1.53Å | |
C10 | O9 | sing | 1.43Å | 1.43Å | |
C10 | H15 | sing | 1.09Å | 1.10Å | |
C11 | C12 | sing | 1.53Å | 1.51Å | |
C11 | O10 | sing | 1.45Å | 1.45Å | |
C11 | H16 | sing | 1.09Å | 1.10Å | |
C12 | O11 | sing | 1.43Å | 1.42Å | |
C12 | H17 | sing | 1.09Å | 1.10Å | |
C12 | H18 | sing | 1.09Å | 1.10Å | |
O8 | H19 | sing | 0.97Å | 0.95Å | |
O9 | H20 | sing | 0.97Å | 0.95Å | |
O11 | H21 | sing | 0.97Å | 0.95Å | |
C17 | O18 | sing | 1.43Å | 1.41Å | |
C17 | C16 | sing | 1.53Å | 1.51Å | |
C16 | O19 | sing | 1.43Å | 1.43Å | |
C16 | C18 | sing | 1.53Å | 1.52Å | |
O19 | C13 | sing | 1.43Å | 1.44Å | |
O12 | C13 | sing | 1.43Å | 1.35Å | |
O17 | C18 | sing | 1.43Å | 1.43Å | |
C13 | C14 | sing | 1.53Å | 1.52Å | |
C18 | C15 | sing | 1.53Å | 1.52Å | |
C15 | C14 | sing | 1.53Å | 1.52Å | |
C15 | O16 | sing | 1.43Å | 1.43Å | |
C14 | O13 | sing | 1.43Å | 1.44Å | |
O13 | P1 | sing | 1.61Å | 1.62Å | |
O14 | P1 | doub | 1.48Å | 1.50Å | |
P1 | O15 | sing | 1.61Å | 1.49Å | |
C13 | H22 | sing | 1.09Å | 1.10Å | |
O12 | H23 | sing | 0.97Å | 0.95Å | |
C14 | H24 | sing | 1.09Å | 1.10Å | |
C15 | H25 | sing | 1.09Å | 1.10Å | |
C16 | H26 | sing | 1.09Å | 1.10Å | |
C17 | H27 | sing | 1.09Å | 1.10Å | |
C17 | H28 | sing | 1.09Å | 1.10Å | |
O15 | H29 | sing | 0.97Å | 0.95Å | |
O16 | H30 | sing | 0.97Å | 0.95Å | |
C18 | H31 | sing | 1.09Å | 1.10Å | |
O17 | H32 | sing | 0.97Å | 0.95Å | |
O18 | H33 | sing | 0.97Å | 0.95Å | |
O1 | C8 | sing | 1.43Å | 1.42Å | |
O7 | P1 | sing | 1.61Å | 1.54Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 110.9° | 109.5° |
C2 | C1 | O5 | 108.1° | 109.4° |
C2 | C1 | H1 | 108.4° | 109.5° |
C1 | C2 | C3 | 110.4° | 109.2° |
C1 | C2 | O2 | 109.2° | 109.5° |
C1 | C2 | H2 | 108.7° | 109.5° |
O1 | C1 | O5 | 109.8° | 109.5° |
O1 | C1 | H1 | 110.4° | 109.5° |
C1 | O1 | C8 | 122.0° | 113.9° |
O5 | C1 | H1 | 109.3° | 109.5° |
C1 | O5 | C5 | 113.3° | 114.1° |
C3 | C2 | O2 | 109.9° | 109.6° |
C3 | C2 | H2 | 108.8° | 109.5° |
C2 | C3 | C4 | 109.7° | 109.1° |
C2 | C3 | O3 | 107.2° | 109.5° |
C2 | C3 | H3 | 109.8° | 109.5° |
O2 | C2 | H2 | 109.9° | 109.6° |
C2 | O2 | H8 | 109.5° | 114.0° |
C4 | C3 | O3 | 109.5° | 109.6° |
C4 | C3 | H3 | 109.7° | 109.6° |
C3 | C4 | C5 | 110.8° | 109.2° |
C3 | C4 | O4 | 109.4° | 109.5° |
C3 | C4 | H4 | 109.1° | 109.5° |
O3 | C3 | H3 | 111.0° | 109.6° |
C3 | O3 | H9 | 109.5° | 114.0° |
C5 | C4 | O4 | 108.4° | 109.5° |
C5 | C4 | H4 | 108.9° | 109.5° |
C4 | C5 | C6 | 112.5° | 109.5° |
C4 | C5 | O5 | 110.5° | 109.4° |
C4 | C5 | H5 | 108.7° | 109.5° |
O4 | C4 | H4 | 110.3° | 109.6° |
C4 | O4 | H10 | 109.5° | 114.0° |
C6 | C5 | O5 | 106.3° | 109.5° |
C6 | C5 | H5 | 109.0° | 109.5° |
C5 | C6 | O6 | 110.4° | 109.5° |
C5 | C6 | H6 | 109.3° | 109.4° |
C5 | C6 | H7 | 109.2° | 109.5° |
O5 | C5 | H5 | 109.8° | 109.5° |
O6 | C6 | H6 | 109.2° | 109.5° |
O6 | C6 | H7 | 109.2° | 109.5° |
C6 | O6 | H11 | 109.5° | 114.0° |
H6 | C6 | H7 | 109.5° | 109.5° |
C8 | C7 | O7 | 108.2° | 109.4° |
C8 | C7 | H12 | 109.8° | 109.5° |
C8 | C7 | H13 | 109.8° | 109.4° |
C7 | C8 | C9 | 117.9° | 109.8° |
C7 | C8 | O10 | 107.6° | 109.9° |
C7 | C8 | O1 | 107.2° | 109.9° |
O7 | C7 | H12 | 109.8° | 109.5° |
O7 | C7 | H13 | 109.8° | 109.5° |
C7 | O7 | P1 | 122.2° | 123.0° |
H12 | C7 | H13 | 109.5° | 109.5° |
C9 | C8 | O10 | 102.2° | 107.4° |
C8 | C9 | C10 | 102.7° | 104.2° |
C8 | C9 | O8 | 113.0° | 110.5° |
C8 | C9 | H14 | 109.3° | 110.5° |
C9 | C8 | O1 | 110.3° | 109.8° |
C8 | O10 | C11 | 112.7° | 106.9° |
O10 | C8 | O1 | 111.6° | 109.9° |
C10 | C9 | O8 | 111.4° | 110.5° |
C10 | C9 | H14 | 109.2° | 110.5° |
C9 | C10 | C11 | 99.7° | 102.1° |
C9 | C10 | O9 | 113.0° | 110.9° |
C9 | C10 | H15 | 110.3° | 110.9° |
O8 | C9 | H14 | 110.8° | 110.5° |
C9 | O8 | H19 | 109.5° | 114.1° |
C11 | C10 | O9 | 110.9° | 110.9° |
C11 | C10 | H15 | 110.5° | 110.9° |
C10 | C11 | C12 | 114.5° | 110.6° |
C10 | C11 | O10 | 104.4° | 103.6° |
C10 | C11 | H16 | 109.1° | 110.6° |
O9 | C10 | H15 | 111.9° | 110.8° |
C10 | O9 | H20 | 109.5° | 114.0° |
C12 | C11 | O10 | 109.3° | 110.7° |
C12 | C11 | H16 | 109.3° | 110.5° |
C11 | C12 | O11 | 115.6° | 109.4° |
C11 | C12 | H17 | 107.9° | 109.5° |
C11 | C12 | H18 | 107.9° | 109.5° |
O10 | C11 | H16 | 110.1° | 110.6° |
O11 | C12 | H17 | 107.9° | 109.4° |
O11 | C12 | H18 | 107.9° | 109.4° |
C12 | O11 | H21 | 109.5° | 114.0° |
H17 | C12 | H18 | 109.5° | 109.5° |
O18 | C17 | C16 | 112.0° | 109.5° |
O18 | C17 | H27 | 108.8° | 109.4° |
O18 | C17 | H28 | 108.9° | 109.4° |
C17 | O18 | H33 | 109.5° | 114.1° |
C17 | C16 | O19 | 105.6° | 109.5° |
C17 | C16 | C18 | 114.8° | 109.5° |
C17 | C16 | H26 | 109.4° | 109.5° |
C16 | C17 | H27 | 108.8° | 109.5° |
C16 | C17 | H28 | 108.8° | 109.5° |
O19 | C16 | C18 | 107.0° | 109.4° |
C16 | O19 | C13 | 112.6° | 114.1° |
O19 | C16 | H26 | 110.6° | 109.5° |
C16 | C18 | O17 | 109.5° | 109.5° |
C16 | C18 | C15 | 107.9° | 109.2° |
C18 | C16 | H26 | 109.4° | 109.5° |
C16 | C18 | H31 | 110.0° | 109.5° |
O19 | C13 | O12 | 113.4° | 109.5° |
O19 | C13 | C14 | 109.0° | 109.4° |
O19 | C13 | H22 | 107.1° | 109.5° |
O12 | C13 | C14 | 112.7° | 109.5° |
O12 | C13 | H22 | 108.2° | 109.5° |
C13 | O12 | H23 | 109.5° | 114.0° |
O17 | C18 | C15 | 108.1° | 109.5° |
O17 | C18 | H31 | 111.3° | 109.5° |
C18 | O17 | H32 | 109.5° | 114.0° |
C13 | C14 | C15 | 110.1° | 109.2° |
C13 | C14 | O13 | 105.7° | 109.5° |
C14 | C13 | H22 | 106.1° | 109.5° |
C13 | C14 | H24 | 111.0° | 109.6° |
C18 | C15 | C14 | 109.5° | 109.0° |
C18 | C15 | O16 | 110.1° | 109.5° |
C18 | C15 | H25 | 109.1° | 109.6° |
C15 | C18 | H31 | 110.0° | 109.5° |
C14 | C15 | O16 | 108.6° | 109.6° |
C15 | C14 | O13 | 106.6° | 109.5° |
C15 | C14 | H24 | 111.0° | 109.6° |
C14 | C15 | H25 | 109.1° | 109.6° |
O16 | C15 | H25 | 110.4° | 109.6° |
C15 | O16 | H30 | 109.5° | 114.0° |
C14 | O13 | P1 | 122.3° | 123.0° |
O13 | C14 | H24 | 112.2° | 109.5° |
O13 | P1 | O14 | 104.5° | 109.5° |
O13 | P1 | O15 | 109.4° | 109.5° |
O13 | P1 | O7 | 107.7° | 109.5° |
O14 | P1 | O15 | 117.3° | 109.5° |
O14 | P1 | O7 | 110.8° | 109.5° |
P1 | O15 | H29 | 109.5° | 114.0° |
O15 | P1 | O7 | 106.7° | 109.4° |
H27 | C17 | H28 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 119.3° | 119.9° |
C2 | C1 | O1 | H1 | 120.1° | 120.1° |
C2 | C1 | O5 | H1 | 117.7° | 120.0° |
C1 | C2 | C3 | O2 | 120.6° | 119.9° |
C1 | C2 | C3 | H2 | 119.2° | 119.9° |
C1 | C2 | O2 | H2 | 119.1° | 120.1° |
C1 | C2 | C3 | C4 | 56.7° | 57.0° |
C1 | C2 | C3 | O3 | 175.5° | 176.9° |
C1 | C2 | C3 | H3 | 63.9° | 62.9° |
C2 | C1 | O5 | C5 | 62.1° | 61.1° |
C1 | C2 | O2 | H8 | 180.0° | 59.9° |
C2 | C1 | O1 | C8 | 143.4° | 170.5° |
O1 | C1 | O5 | H1 | 121.2° | 120.0° |
O1 | C1 | C2 | C3 | 60.3° | 62.4° |
O1 | C1 | C2 | O2 | 60.6° | 57.6° |
O1 | C1 | C2 | H2 | 179.5° | 177.7° |
O1 | C1 | O5 | C5 | 59.0° | 58.8° |
C1 | O1 | C8 | C7 | 88.1° | 55.0° |
C1 | O1 | C8 | C9 | 142.4° | 175.9° |
C1 | O1 | C8 | O10 | 29.4° | 66.1° |
O5 | C1 | C2 | C3 | 60.0° | 57.6° |
O5 | C1 | C2 | O2 | 179.0° | 177.5° |
O5 | C1 | C2 | H2 | 59.2° | 62.3° |
C1 | O5 | C5 | C4 | 59.3° | 61.2° |
C1 | O5 | C5 | C6 | 178.4° | 178.9° |
C1 | O5 | C5 | H5 | 60.6° | 58.9° |
O5 | C1 | O1 | C8 | 97.2° | 69.6° |
H1 | C1 | C2 | C3 | 178.4° | 177.6° |
H1 | C1 | C2 | O2 | 60.7° | 62.5° |
H1 | C1 | C2 | H2 | 59.2° | 57.7° |
H1 | C1 | O5 | C5 | 179.9° | 178.8° |
H1 | C1 | O1 | C8 | 23.3° | 50.5° |
C3 | C2 | O2 | H2 | 119.6° | 120.2° |
C2 | C3 | C4 | O3 | 117.4° | 119.9° |
C2 | C3 | C4 | H3 | 120.7° | 119.9° |
C2 | C3 | O3 | H3 | 119.9° | 120.2° |
C2 | C3 | C4 | C5 | 52.8° | 57.0° |
C2 | C3 | C4 | O4 | 172.2° | 176.9° |
C2 | C3 | C4 | H4 | 67.1° | 62.9° |
C3 | C2 | O2 | H8 | 58.7° | 179.7° |
C2 | C3 | O3 | H9 | 180.0° | 60.0° |
O2 | C2 | C3 | C4 | 177.3° | 176.9° |
O2 | C2 | C3 | O3 | 63.9° | 63.2° |
O2 | C2 | C3 | H3 | 56.7° | 57.0° |
H2 | C2 | C3 | C4 | 62.4° | 62.9° |
H2 | C2 | C3 | O3 | 56.3° | 57.0° |
H2 | C2 | C3 | H3 | 177.0° | 177.2° |
H2 | C2 | O2 | H8 | 60.9° | 60.1° |
C4 | C3 | O3 | H3 | 121.2° | 120.2° |
C3 | C4 | C5 | O4 | 120.0° | 119.9° |
C3 | C4 | C5 | H4 | 120.0° | 119.9° |
C3 | C4 | O4 | H4 | 119.9° | 120.2° |
C3 | C4 | C5 | C6 | 171.9° | 177.6° |
C3 | C4 | C5 | O5 | 53.4° | 57.6° |
C3 | C4 | C5 | H5 | 67.2° | 62.4° |
C4 | C3 | O3 | H9 | 61.0° | 179.6° |
C3 | C4 | O4 | H10 | 180.0° | 60.0° |
O3 | C3 | C4 | C5 | 170.2° | 176.8° |
O3 | C3 | C4 | O4 | 70.4° | 63.2° |
O3 | C3 | C4 | H4 | 50.3° | 56.9° |
H3 | C3 | C4 | C5 | 67.9° | 62.9° |
H3 | C3 | C4 | O4 | 51.5° | 57.0° |
H3 | C3 | C4 | H4 | 172.2° | 177.2° |
H3 | C3 | O3 | H9 | 60.1° | 60.2° |
C5 | C4 | O4 | H4 | 119.2° | 120.1° |
C4 | C5 | C6 | O5 | 121.0° | 119.9° |
C4 | C5 | C6 | H5 | 120.7° | 120.1° |
C4 | C5 | O5 | H5 | 119.9° | 120.0° |
C4 | C5 | C6 | O6 | 52.7° | 175.0° |
C4 | C5 | C6 | H6 | 172.8° | 55.0° |
C4 | C5 | C6 | H7 | 67.4° | 65.0° |
C5 | C4 | O4 | H10 | 59.2° | 179.7° |
O4 | C4 | C5 | C6 | 68.1° | 62.5° |
O4 | C4 | C5 | O5 | 173.3° | 177.5° |
O4 | C4 | C5 | H5 | 52.7° | 57.6° |
H4 | C4 | C5 | C6 | 52.0° | 57.7° |
H4 | C4 | C5 | O5 | 66.6° | 62.3° |
H4 | C4 | C5 | H5 | 172.8° | 177.7° |
H4 | C4 | O4 | H10 | 60.0° | 60.2° |
C6 | C5 | O5 | H5 | 117.8° | 120.0° |
C5 | C6 | O6 | H6 | 120.1° | 120.0° |
C5 | C6 | O6 | H7 | 120.1° | 120.0° |
C5 | C6 | H6 | H7 | 119.6° | 120.0° |
C5 | C6 | O6 | H11 | 180.0° | 180.0° |
O5 | C5 | C6 | O6 | 68.3° | 65.1° |
O5 | C5 | C6 | H6 | 51.8° | 174.9° |
O5 | C5 | C6 | H7 | 171.6° | 54.9° |
H5 | C5 | C6 | O6 | 173.4° | 54.9° |
H5 | C5 | C6 | H6 | 66.5° | 65.1° |
H5 | C5 | C6 | H7 | 53.2° | 174.9° |
O6 | C6 | H6 | H7 | 119.6° | 120.0° |
H6 | C6 | O6 | H11 | 59.9° | 60.0° |
H7 | C6 | O6 | H11 | 59.9° | 60.0° |
C8 | C7 | O7 | H12 | 119.8° | 120.0° |
C8 | C7 | O7 | H13 | 119.8° | 120.0° |
C8 | C7 | H12 | H13 | 120.6° | 120.0° |
C7 | C8 | C9 | O10 | 117.6° | 119.5° |
C7 | C8 | C9 | O1 | 123.5° | 121.0° |
C7 | C8 | O10 | O1 | 117.3° | 121.1° |
C7 | C8 | C9 | C10 | 153.7° | 117.6° |
C7 | C8 | C9 | O8 | 86.1° | 123.8° |
C7 | C8 | C9 | H14 | 37.8° | 1.1° |
C7 | C8 | O10 | C11 | 140.5° | 93.1° |
C8 | C7 | O7 | P1 | 148.7° | 180.0° |
O7 | C7 | H12 | H13 | 120.6° | 120.1° |
O7 | C7 | C8 | C9 | 52.2° | 171.3° |
O7 | C7 | C8 | O10 | 62.5° | 53.3° |
C7 | O7 | P1 | O13 | 83.8° | 175.0° |
C7 | O7 | P1 | O14 | 30.0° | 55.0° |
C7 | O7 | P1 | O15 | 158.8° | 65.0° |
O7 | C7 | C8 | O1 | 177.3° | 67.8° |
H12 | C7 | C8 | C9 | 172.0° | 68.7° |
H12 | C7 | C8 | O10 | 57.3° | 173.3° |
H12 | C7 | C8 | O1 | 62.9° | 52.2° |
H12 | C7 | O7 | P1 | 28.8° | 60.1° |
H13 | C7 | C8 | C9 | 67.6° | 51.3° |
H13 | C7 | C8 | O10 | 177.6° | 66.7° |
H13 | C7 | C8 | O1 | 57.5° | 172.2° |
H13 | C7 | O7 | P1 | 91.5° | 60.0° |
C9 | C8 | O10 | O1 | 117.9° | 119.5° |
C8 | C9 | C10 | O8 | 121.3° | 118.7° |
C8 | C9 | C10 | H14 | 115.9° | 118.7° |
C8 | C9 | O8 | H14 | 123.1° | 122.7° |
C8 | C9 | C10 | C11 | 42.0° | 20.9° |
C8 | C9 | C10 | O9 | 159.7° | 139.1° |
C8 | C9 | C10 | H15 | 74.2° | 97.3° |
C9 | C8 | O10 | C11 | 15.7° | 26.3° |
C8 | C9 | O8 | H19 | 180.0° | 180.0° |
O10 | C8 | C9 | C10 | 36.1° | 1.9° |
O10 | C8 | C9 | O8 | 156.3° | 116.7° |
O10 | C8 | C9 | H14 | 79.8° | 120.6° |
C8 | O10 | C11 | C10 | 11.2° | 39.9° |
C8 | O10 | C11 | C12 | 134.1° | 158.4° |
C8 | O10 | C11 | H16 | 105.8° | 78.7° |
C10 | C9 | O8 | H14 | 121.9° | 122.6° |
C9 | C10 | C11 | O9 | 119.3° | 118.2° |
C9 | C10 | C11 | H15 | 116.1° | 118.2° |
C9 | C10 | O9 | H15 | 125.2° | 123.7° |
C9 | C10 | C11 | C12 | 152.1° | 155.5° |
C9 | C10 | C11 | O10 | 32.7° | 37.0° |
C9 | C10 | C11 | H16 | 85.1° | 81.7° |
C10 | C9 | O8 | H19 | 65.0° | 65.2° |
C9 | C10 | O9 | H20 | 180.0° | 180.0° |
C10 | C9 | C8 | O1 | 82.7° | 121.5° |
O8 | C9 | C10 | C11 | 163.3° | 139.6° |
O8 | C9 | C10 | O9 | 79.0° | 102.2° |
O8 | C9 | C10 | H15 | 47.1° | 21.4° |
O8 | C9 | C8 | O1 | 37.4° | 2.8° |
H14 | C9 | C10 | C11 | 73.9° | 97.8° |
H14 | C9 | C10 | O9 | 43.8° | 20.3° |
H14 | C9 | C10 | H15 | 169.9° | 144.0° |
H14 | C9 | O8 | H19 | 56.9° | 57.3° |
H14 | C9 | C8 | O1 | 161.4° | 119.8° |
C11 | C10 | O9 | H15 | 123.8° | 123.6° |
C10 | C11 | C12 | O10 | 116.7° | 114.2° |
C10 | C11 | C12 | H16 | 122.8° | 122.9° |
C10 | C11 | O10 | H16 | 117.0° | 118.6° |
C10 | C11 | C12 | O11 | 175.0° | 175.0° |
C10 | C11 | C12 | H17 | 54.1° | 55.0° |
C10 | C11 | C12 | H18 | 64.1° | 65.0° |
C11 | C10 | O9 | H20 | 69.1° | 67.4° |
O9 | C10 | C11 | C12 | 88.7° | 86.3° |
O9 | C10 | C11 | O10 | 151.9° | 155.1° |
O9 | C10 | C11 | H16 | 34.2° | 36.5° |
H15 | C10 | C11 | C12 | 36.0° | 37.3° |
H15 | C10 | C11 | O10 | 83.4° | 81.3° |
H15 | C10 | C11 | H16 | 158.8° | 160.1° |
H15 | C10 | O9 | H20 | 54.8° | 56.3° |
C12 | C11 | O10 | H16 | 120.1° | 122.9° |
C11 | C12 | O11 | H17 | 120.9° | 120.0° |
C11 | C12 | O11 | H18 | 120.9° | 120.0° |
C11 | C12 | H17 | H18 | 117.2° | 120.1° |
C11 | C12 | O11 | H21 | 180.0° | 180.0° |
O10 | C11 | C12 | O11 | 68.3° | 70.8° |
O10 | C11 | C12 | H17 | 170.8° | 169.2° |
O10 | C11 | C12 | H18 | 52.6° | 49.2° |
C11 | O10 | C8 | O1 | 102.2° | 145.8° |
H16 | C11 | C12 | O11 | 52.2° | 52.1° |
H16 | C11 | C12 | H17 | 68.6° | 67.8° |
H16 | C11 | C12 | H18 | 173.2° | 172.1° |
O11 | C12 | H17 | H18 | 117.2° | 119.9° |
H17 | C12 | O11 | H21 | 59.1° | 60.0° |
H18 | C12 | O11 | H21 | 59.1° | 59.9° |
O18 | C17 | C16 | H27 | 120.4° | 120.0° |
O18 | C17 | C16 | H28 | 120.4° | 120.0° |
O18 | C17 | C16 | O19 | 68.9° | 65.0° |
O18 | C17 | C16 | C18 | 48.7° | 175.0° |
O18 | C17 | C16 | H26 | 172.1° | 55.0° |
O18 | C17 | H27 | H28 | 118.9° | 119.9° |
C17 | C16 | O19 | C18 | 122.7° | 120.0° |
C17 | C16 | O19 | H26 | 118.3° | 120.1° |
C17 | C16 | C18 | H26 | 123.4° | 120.0° |
C17 | C16 | O19 | C13 | 171.0° | 178.9° |
C17 | C16 | C18 | O17 | 63.0° | 62.5° |
C17 | C16 | C18 | C15 | 179.5° | 177.6° |
C16 | C17 | H27 | H28 | 118.8° | 120.1° |
C17 | C16 | C18 | H31 | 59.5° | 57.7° |
C16 | C17 | O18 | H33 | 180.0° | 180.0° |
O19 | C16 | C18 | H26 | 119.9° | 120.0° |
C16 | O19 | C13 | O12 | 64.0° | 58.8° |
O19 | C16 | C18 | O17 | 179.8° | 177.6° |
C16 | O19 | C13 | C14 | 62.3° | 61.2° |
O19 | C16 | C18 | C15 | 62.8° | 57.6° |
C16 | O19 | C13 | H22 | 176.7° | 178.9° |
O19 | C16 | C17 | H27 | 170.8° | 175.0° |
O19 | C16 | C17 | H28 | 51.5° | 55.0° |
O19 | C16 | C18 | H31 | 57.3° | 62.3° |
C18 | C16 | O19 | C13 | 66.3° | 61.2° |
C16 | C18 | O17 | C15 | 117.3° | 119.7° |
C16 | C18 | O17 | H31 | 121.8° | 120.2° |
C16 | C18 | C15 | H31 | 120.0° | 119.9° |
C16 | C18 | C15 | C14 | 58.9° | 57.0° |
C16 | C18 | C15 | O16 | 178.2° | 176.8° |
C16 | C18 | C15 | H25 | 60.5° | 62.9° |
C18 | C16 | C17 | H27 | 71.6° | 55.1° |
C18 | C16 | C17 | H28 | 169.1° | 65.0° |
C16 | C18 | O17 | H32 | 180.0° | 59.9° |
O19 | C13 | O12 | C14 | 124.4° | 119.9° |
O19 | C13 | O12 | H22 | 118.6° | 120.0° |
O19 | C13 | C14 | H22 | 115.0° | 120.0° |
O19 | C13 | C14 | C15 | 55.2° | 57.7° |
O19 | C13 | C14 | O13 | 169.9° | 177.5° |
O19 | C13 | O12 | H23 | 180.0° | 60.1° |
O19 | C13 | C14 | H24 | 68.2° | 62.4° |
C13 | O19 | C16 | H26 | 52.8° | 58.8° |
O12 | C13 | C14 | H22 | 118.3° | 120.0° |
O12 | C13 | C14 | C15 | 71.6° | 62.4° |
O12 | C13 | C14 | O13 | 43.2° | 57.5° |
O12 | C13 | C14 | H24 | 165.1° | 177.6° |
O17 | C18 | C15 | H31 | 121.7° | 120.1° |
O17 | C18 | C15 | C14 | 177.2° | 176.9° |
O17 | C18 | C15 | O16 | 63.5° | 63.2° |
O17 | C18 | C15 | H25 | 57.8° | 57.0° |
O17 | C18 | C16 | H26 | 60.3° | 57.6° |
C13 | C14 | C15 | C18 | 55.3° | 57.0° |
C13 | C14 | C15 | O13 | 114.2° | 119.9° |
C13 | C14 | C15 | H24 | 123.3° | 120.0° |
C13 | C14 | C15 | O16 | 175.5° | 176.8° |
C13 | C14 | O13 | H24 | 121.1° | 120.2° |
C13 | C14 | O13 | P1 | 120.8° | 120.0° |
C14 | C13 | O12 | H23 | 55.7° | 180.0° |
C13 | C14 | C15 | H25 | 64.1° | 62.9° |
C18 | C15 | C14 | O16 | 120.3° | 119.8° |
C18 | C15 | C14 | H25 | 119.4° | 119.9° |
C18 | C15 | O16 | H25 | 120.6° | 120.2° |
C18 | C15 | C14 | O13 | 169.5° | 176.9° |
C18 | C15 | C14 | H24 | 68.0° | 63.0° |
C15 | C18 | C16 | H26 | 57.1° | 62.4° |
C18 | C15 | O16 | H30 | 180.0° | 60.4° |
C15 | C18 | O17 | H32 | 62.7° | 179.7° |
C14 | C15 | O16 | H25 | 119.6° | 120.3° |
C15 | C14 | O13 | H24 | 121.7° | 120.2° |
C15 | C14 | O13 | P1 | 122.0° | 120.3° |
C15 | C14 | C13 | H22 | 170.2° | 177.6° |
C14 | C15 | O16 | H30 | 60.2° | 180.0° |
C14 | C15 | C18 | H31 | 61.1° | 63.0° |
O16 | C15 | C14 | O13 | 70.3° | 63.3° |
O16 | C15 | C14 | H24 | 52.2° | 56.8° |
O16 | C15 | C18 | H31 | 58.2° | 56.9° |
C14 | O13 | P1 | O14 | 158.7° | 55.0° |
C14 | O13 | P1 | O15 | 32.3° | 65.0° |
O13 | C14 | C13 | H22 | 75.1° | 62.5° |
O13 | C14 | C15 | H25 | 50.1° | 56.9° |
C14 | O13 | P1 | O7 | 83.3° | 175.0° |
O13 | P1 | O14 | O15 | 121.3° | 120.1° |
O13 | P1 | O14 | O7 | 115.8° | 120.0° |
O13 | P1 | O15 | O7 | 116.3° | 120.0° |
P1 | O13 | C14 | H24 | 0.3° | 0.1° |
O13 | P1 | O15 | H29 | 118.7° | 59.9° |
O14 | P1 | O15 | O7 | 125.0° | 120.0° |
O14 | P1 | O15 | H29 | 0.0° | 179.9° |
H22 | C13 | O12 | H23 | 61.4° | 60.0° |
H22 | C13 | C14 | H24 | 46.8° | 57.6° |
H24 | C14 | C15 | H25 | 172.6° | 177.1° |
H25 | C15 | O16 | H30 | 59.4° | 59.8° |
H25 | C15 | C18 | H31 | 179.5° | 177.1° |
H26 | C16 | C17 | H27 | 51.7° | 64.9° |
H26 | C16 | C17 | H28 | 67.5° | 175.0° |
H26 | C16 | C18 | H31 | 177.1° | 177.7° |
H27 | C17 | O18 | H33 | 59.7° | 60.0° |
H28 | C17 | O18 | H33 | 59.6° | 59.9° |
H29 | O15 | P1 | O7 | 125.0° | 60.1° |
H31 | C18 | O17 | H32 | 58.2° | 60.2° |