PRD_002548
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 | O17 | sing | 1.43Å | 1.41Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | O18 | sing | 1.43Å | 1.43Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| O18 | C18 | sing | 1.43Å | 1.44Å | |
| C18 | O19 | sing | 1.43Å | 1.32Å | |
| C18 | C13 | sing | 1.53Å | 1.52Å | |
| O16 | C15 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | O15 | sing | 1.43Å | 1.43Å | |
| C13 | O14 | sing | 1.43Å | 1.44Å | |
| O14 | P1 | sing | 1.61Å | 1.62Å | |
| P1 | O12 | doub | 1.48Å | 1.50Å | |
| P1 | O13 | sing | 1.61Å | 1.49Å | |
| O13 | H22 | sing | 0.97Å | 0.95Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| O15 | H25 | sing | 0.97Å | 0.95Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| O16 | H27 | sing | 0.97Å | 0.95Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| O17 | H31 | sing | 0.97Å | 0.95Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| O19 | 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° | 109.1° |
| C1 | C2 | O2 | 109.2° | 109.6° |
| C1 | C2 | H2 | 108.7° | 109.6° |
| O1 | C1 | O5 | 109.8° | 109.5° |
| O1 | C1 | H1 | 110.4° | 109.4° |
| C1 | O1 | C8 | 122.0° | 114.1° |
| O5 | C1 | H1 | 109.3° | 109.5° |
| C1 | O5 | C5 | 113.3° | 114.0° |
| C3 | C2 | O2 | 109.9° | 109.5° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C2 | C3 | C4 | 109.7° | 109.0° |
| C2 | C3 | O3 | 107.2° | 109.5° |
| C2 | C3 | H3 | 109.8° | 109.5° |
| O2 | C2 | H2 | 109.9° | 109.5° |
| C2 | O2 | H8 | 109.5° | 114.0° |
| C4 | C3 | O3 | 109.5° | 109.5° |
| 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° | 109.6° |
| 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° | 109.5° |
| 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° | 109.4° |
| C8 | C7 | O7 | 108.2° | 109.5° |
| C8 | C7 | H12 | 109.8° | 109.5° |
| C8 | C7 | H13 | 109.8° | 109.5° |
| 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° | 109.9° |
| 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° | 114.0° |
| 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° | 110.6° |
| C12 | C11 | H16 | 109.3° | 110.6° |
| C11 | C12 | O11 | 115.6° | 109.5° |
| 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° | 109.5° |
| C12 | O11 | H21 | 109.5° | 114.0° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| O17 | C17 | C16 | 112.0° | 109.5° |
| O17 | C17 | H29 | 108.8° | 109.4° |
| O17 | C17 | H30 | 108.9° | 109.5° |
| C17 | O17 | H31 | 109.5° | 114.0° |
| C17 | C16 | O18 | 105.6° | 109.5° |
| C17 | C16 | C15 | 114.8° | 109.5° |
| C17 | C16 | H28 | 109.4° | 109.5° |
| C16 | C17 | H29 | 108.8° | 109.5° |
| C16 | C17 | H30 | 108.8° | 109.5° |
| O18 | C16 | C15 | 107.0° | 109.4° |
| C16 | O18 | C18 | 112.6° | 114.1° |
| O18 | C16 | H28 | 110.6° | 109.5° |
| C16 | C15 | O16 | 109.5° | 109.6° |
| C16 | C15 | C14 | 107.9° | 109.2° |
| C16 | C15 | H26 | 110.0° | 109.5° |
| C15 | C16 | H28 | 109.4° | 109.4° |
| O18 | C18 | O19 | 106.9° | 109.5° |
| O18 | C18 | C13 | 109.0° | 109.4° |
| O18 | C18 | H32 | 107.0° | 109.5° |
| O19 | C18 | C13 | 118.9° | 109.6° |
| O19 | C18 | H32 | 108.5° | 109.5° |
| C18 | O19 | H33 | 109.5° | 114.0° |
| C18 | C13 | C14 | 110.1° | 109.2° |
| C18 | C13 | O14 | 105.7° | 109.5° |
| C18 | C13 | H23 | 111.0° | 109.5° |
| C13 | C18 | H32 | 106.0° | 109.4° |
| O16 | C15 | C14 | 108.1° | 109.5° |
| O16 | C15 | H26 | 111.3° | 109.5° |
| C15 | O16 | H27 | 109.5° | 114.0° |
| C15 | C14 | C13 | 109.5° | 109.0° |
| C15 | C14 | O15 | 110.1° | 109.5° |
| C15 | C14 | H24 | 109.1° | 109.6° |
| C14 | C15 | H26 | 110.0° | 109.6° |
| C13 | C14 | O15 | 108.6° | 109.6° |
| C14 | C13 | O14 | 106.6° | 109.5° |
| C14 | C13 | H23 | 111.0° | 109.5° |
| C13 | C14 | H24 | 109.1° | 109.5° |
| O15 | C14 | H24 | 110.4° | 109.6° |
| C14 | O15 | H25 | 109.5° | 114.1° |
| C13 | O14 | P1 | 122.3° | 123.0° |
| O14 | C13 | H23 | 112.2° | 109.5° |
| O14 | P1 | O12 | 104.5° | 109.5° |
| O14 | P1 | O13 | 109.4° | 109.4° |
| O14 | P1 | O7 | 107.7° | 109.5° |
| O12 | P1 | O13 | 117.3° | 109.5° |
| O12 | P1 | O7 | 110.8° | 109.5° |
| P1 | O13 | H22 | 109.5° | 114.0° |
| O13 | P1 | O7 | 106.7° | 109.5° |
| H29 | C17 | H30 | 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° | 120.0° |
| C2 | C1 | O1 | H1 | 120.1° | 120.0° |
| 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° | 120.2° |
| C1 | C2 | C3 | C4 | 56.7° | 57.0° |
| C1 | C2 | C3 | O3 | 175.5° | 176.8° |
| C1 | C2 | C3 | H3 | 63.9° | 62.9° |
| C2 | C1 | O5 | C5 | 62.1° | 61.2° |
| C1 | C2 | O2 | H8 | 180.0° | 60.0° |
| 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° | 57.5° |
| O1 | C1 | C2 | H2 | 179.5° | 177.7° |
| O1 | C1 | O5 | C5 | 59.0° | 58.9° |
| C1 | O1 | C8 | C7 | 88.1° | 55.0° |
| C1 | O1 | C8 | C9 | 142.4° | 176.0° |
| C1 | O1 | C8 | O10 | 29.4° | 66.0° |
| O5 | C1 | C2 | C3 | 60.0° | 57.7° |
| O5 | C1 | C2 | O2 | 179.0° | 177.6° |
| O5 | C1 | C2 | H2 | 59.2° | 62.3° |
| C1 | O5 | C5 | C4 | 59.3° | 61.1° |
| C1 | O5 | C5 | C6 | 178.4° | 178.8° |
| C1 | O5 | C5 | H5 | 60.6° | 58.8° |
| O5 | C1 | O1 | C8 | 97.2° | 69.5° |
| 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° | 178.9° |
| H1 | C1 | O1 | C8 | 23.3° | 50.5° |
| C3 | C2 | O2 | H2 | 119.6° | 120.1° |
| C2 | C3 | C4 | O3 | 117.4° | 119.8° |
| 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° | 56.9° |
| H2 | C2 | C3 | H3 | 177.0° | 177.2° |
| H2 | C2 | O2 | H8 | 60.9° | 60.2° |
| C4 | C3 | O3 | H3 | 121.2° | 120.3° |
| C3 | C4 | C5 | O4 | 120.0° | 119.9° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| 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° | 62.3° |
| C4 | C3 | O3 | H9 | 61.0° | 179.5° |
| C3 | C4 | O4 | H10 | 180.0° | 60.0° |
| O3 | C3 | C4 | C5 | 170.2° | 176.8° |
| O3 | C3 | C4 | O4 | 70.4° | 63.3° |
| O3 | C3 | C4 | H4 | 50.3° | 56.9° |
| H3 | C3 | C4 | C5 | 67.9° | 62.8° |
| 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° | 64.9° |
| 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° | 57.6° |
| H4 | C4 | C5 | O5 | 66.6° | 62.4° |
| 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° | 120.1° |
| 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° | 55.0° |
| H5 | C5 | C6 | O6 | 173.4° | 54.9° |
| H5 | C5 | C6 | H6 | 66.5° | 65.1° |
| H5 | C5 | C6 | H7 | 53.2° | 175.0° |
| O6 | C6 | H6 | H7 | 119.6° | 120.0° |
| H6 | C6 | O6 | H11 | 59.9° | 60.0° |
| H7 | C6 | O6 | H11 | 59.9° | 59.9° |
| 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° | 119.4° |
| C7 | C8 | C9 | O1 | 123.5° | 121.0° |
| C7 | C8 | O10 | O1 | 117.3° | 121.0° |
| C7 | C8 | C9 | C10 | 153.7° | 117.5° |
| C7 | C8 | C9 | O8 | 86.1° | 123.8° |
| C7 | C8 | C9 | H14 | 37.8° | 1.2° |
| C7 | C8 | O10 | C11 | 140.5° | 93.1° |
| C8 | C7 | O7 | P1 | 148.7° | 180.0° |
| O7 | C7 | H12 | H13 | 120.6° | 120.0° |
| O7 | C7 | C8 | C9 | 52.2° | 171.2° |
| O7 | C7 | C8 | O10 | 62.5° | 53.3° |
| C7 | O7 | P1 | O14 | 83.8° | 175.0° |
| C7 | O7 | P1 | O12 | 30.0° | 55.0° |
| C7 | O7 | P1 | O13 | 158.8° | 65.0° |
| O7 | C7 | C8 | O1 | 177.3° | 67.7° |
| H12 | C7 | C8 | C9 | 172.0° | 68.8° |
| H12 | C7 | C8 | O10 | 57.3° | 173.3° |
| H12 | C7 | C8 | O1 | 62.9° | 52.3° |
| H12 | C7 | O7 | P1 | 28.8° | 60.0° |
| H13 | C7 | C8 | C9 | 67.6° | 51.3° |
| H13 | C7 | C8 | O10 | 177.6° | 66.7° |
| H13 | C7 | C8 | O1 | 57.5° | 172.3° |
| H13 | C7 | O7 | P1 | 91.5° | 60.0° |
| C9 | C8 | O10 | O1 | 117.9° | 119.6° |
| C8 | C9 | C10 | O8 | 121.3° | 118.7° |
| C8 | C9 | C10 | H14 | 115.9° | 118.7° |
| C8 | C9 | O8 | H14 | 123.1° | 122.6° |
| 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° | 116.8° |
| 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° | 122.7° |
| C9 | C10 | C11 | O9 | 119.3° | 118.2° |
| C9 | C10 | C11 | H15 | 116.1° | 118.2° |
| C9 | C10 | O9 | H15 | 125.2° | 123.6° |
| C9 | C10 | C11 | C12 | 152.1° | 155.5° |
| C9 | C10 | C11 | O10 | 32.7° | 36.9° |
| 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° | 139.5° |
| O8 | C9 | C10 | O9 | 79.0° | 102.2° |
| O8 | C9 | C10 | H15 | 47.1° | 21.3° |
| O8 | C9 | C8 | O1 | 37.4° | 2.8° |
| H14 | C9 | C10 | C11 | 73.9° | 97.8° |
| H14 | C9 | C10 | O9 | 43.8° | 20.5° |
| H14 | C9 | C10 | H15 | 169.9° | 144.0° |
| H14 | C9 | O8 | H19 | 56.9° | 57.4° |
| H14 | C9 | C8 | O1 | 161.4° | 119.8° |
| C11 | C10 | O9 | H15 | 123.8° | 123.7° |
| 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° | 67.3° |
| O9 | C10 | C11 | C12 | 88.7° | 86.3° |
| O9 | C10 | C11 | O10 | 151.9° | 155.1° |
| O9 | C10 | C11 | H16 | 34.2° | 36.6° |
| H15 | C10 | C11 | C12 | 36.0° | 37.3° |
| H15 | C10 | C11 | O10 | 83.4° | 81.2° |
| H15 | C10 | C11 | H16 | 158.8° | 160.2° |
| H15 | C10 | O9 | H20 | 54.8° | 56.4° |
| 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° | 120.0° |
| C11 | C12 | O11 | H21 | 180.0° | 180.0° |
| O10 | C11 | C12 | O11 | 68.3° | 70.9° |
| O10 | C11 | C12 | H17 | 170.8° | 169.2° |
| O10 | C11 | C12 | H18 | 52.6° | 49.2° |
| C11 | O10 | C8 | O1 | 102.2° | 145.9° |
| H16 | C11 | C12 | O11 | 52.2° | 52.1° |
| H16 | C11 | C12 | H17 | 68.6° | 67.9° |
| H16 | C11 | C12 | H18 | 173.2° | 172.1° |
| O11 | C12 | H17 | H18 | 117.2° | 120.0° |
| H17 | C12 | O11 | H21 | 59.1° | 60.1° |
| H18 | C12 | O11 | H21 | 59.1° | 60.0° |
| O17 | C17 | C16 | H29 | 120.4° | 119.9° |
| O17 | C17 | C16 | H30 | 120.4° | 120.0° |
| O17 | C17 | C16 | O18 | 68.9° | 65.0° |
| O17 | C17 | C16 | C15 | 48.7° | 175.0° |
| O17 | C17 | C16 | H28 | 172.1° | 55.0° |
| O17 | C17 | H29 | H30 | 118.9° | 120.0° |
| C17 | C16 | O18 | C15 | 122.7° | 120.0° |
| C17 | C16 | O18 | H28 | 118.3° | 120.1° |
| C17 | C16 | C15 | H28 | 123.4° | 120.0° |
| C17 | C16 | O18 | C18 | 171.0° | 178.9° |
| C17 | C16 | C15 | O16 | 63.0° | 62.5° |
| C17 | C16 | C15 | C14 | 179.5° | 177.6° |
| C17 | C16 | C15 | H26 | 59.5° | 57.7° |
| C16 | C17 | H29 | H30 | 118.8° | 120.0° |
| C16 | C17 | O17 | H31 | 180.0° | 180.0° |
| O18 | C16 | C15 | H28 | 119.9° | 119.9° |
| C16 | O18 | C18 | O19 | 167.9° | 178.9° |
| C16 | O18 | C18 | C13 | 62.3° | 61.0° |
| O18 | C16 | C15 | O16 | 179.8° | 177.5° |
| O18 | C16 | C15 | C14 | 62.8° | 57.6° |
| O18 | C16 | C15 | H26 | 57.3° | 62.4° |
| O18 | C16 | C17 | H29 | 170.8° | 175.0° |
| O18 | C16 | C17 | H30 | 51.5° | 55.0° |
| C16 | O18 | C18 | H32 | 51.9° | 58.8° |
| C15 | C16 | O18 | C18 | 66.3° | 61.1° |
| C16 | C15 | O16 | C14 | 117.3° | 119.7° |
| C16 | C15 | O16 | H26 | 121.8° | 120.1° |
| C16 | C15 | C14 | H26 | 120.0° | 119.9° |
| C16 | C15 | C14 | C13 | 58.9° | 56.9° |
| C16 | C15 | C14 | O15 | 178.2° | 176.9° |
| C16 | C15 | C14 | H24 | 60.5° | 62.9° |
| C16 | C15 | O16 | H27 | 180.0° | 60.3° |
| C15 | C16 | C17 | H29 | 71.6° | 55.1° |
| C15 | C16 | C17 | H30 | 169.1° | 65.0° |
| O18 | C18 | O19 | C13 | 123.8° | 120.0° |
| O18 | C18 | O19 | H32 | 115.0° | 120.0° |
| O18 | C18 | C13 | H32 | 114.8° | 119.9° |
| O18 | C18 | C13 | C14 | 55.2° | 57.5° |
| O18 | C18 | C13 | O14 | 169.9° | 177.4° |
| O18 | C18 | C13 | H23 | 68.2° | 62.5° |
| C18 | O18 | C16 | H28 | 52.8° | 58.8° |
| O18 | C18 | O19 | H33 | 180.0° | 60.0° |
| O19 | C18 | C13 | H32 | 122.4° | 120.0° |
| O19 | C18 | C13 | C14 | 178.0° | 177.6° |
| O19 | C18 | C13 | O14 | 67.3° | 62.5° |
| O19 | C18 | C13 | H23 | 54.6° | 57.6° |
| C18 | C13 | C14 | C15 | 55.3° | 56.9° |
| C18 | C13 | C14 | O14 | 114.2° | 120.0° |
| C18 | C13 | C14 | H23 | 123.3° | 120.0° |
| C18 | C13 | C14 | O15 | 175.5° | 176.8° |
| C18 | C13 | O14 | H23 | 121.1° | 120.1° |
| C18 | C13 | O14 | P1 | 120.8° | 120.1° |
| C18 | C13 | C14 | H24 | 64.1° | 63.0° |
| C13 | C18 | O19 | H33 | 56.2° | 180.0° |
| O16 | C15 | C14 | H26 | 121.7° | 120.1° |
| O16 | C15 | C14 | C13 | 177.2° | 176.9° |
| O16 | C15 | C14 | O15 | 63.5° | 63.2° |
| O16 | C15 | C14 | H24 | 57.8° | 57.0° |
| O16 | C15 | C16 | H28 | 60.3° | 57.6° |
| C15 | C14 | C13 | O15 | 120.3° | 119.9° |
| C15 | C14 | C13 | H24 | 119.4° | 119.9° |
| C15 | C14 | O15 | H24 | 120.6° | 120.2° |
| C15 | C14 | C13 | O14 | 169.5° | 176.9° |
| C15 | C14 | C13 | H23 | 68.0° | 63.0° |
| C15 | C14 | O15 | H25 | 180.0° | 60.4° |
| C14 | C15 | O16 | H27 | 62.7° | 180.0° |
| C14 | C15 | C16 | H28 | 57.1° | 62.3° |
| C13 | C14 | O15 | H24 | 119.6° | 120.2° |
| C14 | C13 | O14 | H23 | 121.7° | 120.1° |
| C14 | C13 | O14 | P1 | 122.0° | 120.1° |
| C13 | C14 | O15 | H25 | 60.2° | 180.0° |
| C13 | C14 | C15 | H26 | 61.1° | 63.0° |
| C14 | C13 | C18 | H32 | 59.6° | 62.4° |
| O15 | C14 | C13 | O14 | 70.3° | 63.2° |
| O15 | C14 | C13 | H23 | 52.2° | 56.8° |
| O15 | C14 | C15 | H26 | 58.2° | 56.9° |
| C13 | O14 | P1 | O12 | 158.7° | 54.9° |
| C13 | O14 | P1 | O13 | 32.3° | 65.1° |
| O14 | C13 | C14 | H24 | 50.1° | 57.0° |
| O14 | C13 | C18 | H32 | 55.1° | 57.5° |
| C13 | O14 | P1 | O7 | 83.3° | 175.0° |
| O14 | P1 | O12 | O13 | 121.3° | 120.0° |
| O14 | P1 | O12 | O7 | 115.8° | 120.0° |
| O14 | P1 | O13 | O7 | 116.3° | 120.0° |
| O14 | P1 | O13 | H22 | 118.7° | 60.0° |
| P1 | O14 | C13 | H23 | 0.3° | 0.0° |
| O12 | P1 | O13 | O7 | 125.0° | 120.0° |
| O12 | P1 | O13 | H22 | 0.0° | 180.0° |
| H22 | O13 | P1 | O7 | 125.0° | 60.0° |
| H23 | C13 | C14 | H24 | 172.6° | 177.0° |
| H23 | C13 | C18 | H32 | 177.0° | 177.6° |
| H24 | C14 | O15 | H25 | 59.4° | 59.8° |
| H24 | C14 | C15 | H26 | 179.5° | 177.2° |
| H26 | C15 | O16 | H27 | 58.2° | 59.9° |
| H26 | C15 | C16 | H28 | 177.1° | 177.7° |
| H28 | C16 | C17 | H29 | 51.7° | 64.9° |
| H28 | C16 | C17 | H30 | 67.5° | 175.0° |
| H29 | C17 | O17 | H31 | 59.7° | 60.0° |
| H30 | C17 | O17 | H31 | 59.6° | 60.0° |
| H32 | C18 | O19 | H33 | 64.9° | 60.1° |
