PRD_002508
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O4 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O1 | sing | 1.43Å | 1.43Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O2 | sing | 1.43Å | 1.48Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | O3 | sing | 1.43Å | 1.42Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | O4 | sing | 1.43Å | 1.44Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O5 | sing | 1.43Å | 1.42Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| O5 | H10 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | O6 | sing | 1.43Å | 1.42Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.54Å | 1.54Å | |
| C8 | O7 | sing | 1.43Å | 1.46Å | |
| C8 | O10 | sing | 1.44Å | 1.43Å | |
| C9 | C10 | sing | 1.55Å | 1.53Å | |
| C9 | O8 | sing | 1.43Å | 1.43Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.55Å | 1.52Å | |
| C10 | O9 | sing | 1.43Å | 1.43Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | O10 | sing | 1.44Å | 1.44Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | O11 | sing | 1.43Å | 1.42Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| O6 | H18 | sing | 0.97Å | 0.95Å | |
| 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 | 1.43Å | |
| C17 | C16 | sing | 1.53Å | 1.50Å | |
| C16 | O18 | sing | 1.43Å | 1.44Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| O18 | C18 | sing | 1.43Å | 1.43Å | |
| C18 | O19 | sing | 1.43Å | 1.37Å | |
| C18 | C13 | sing | 1.53Å | 1.53Å | |
| O16 | C15 | sing | 1.43Å | 1.42Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | O15 | sing | 1.43Å | 1.42Å | |
| 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 | 1.51Å | |
| 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 | |
| C1 | O7 | sing | 1.43Å | 1.41Å | |
| O2 | P1 | sing | 1.61Å | 1.53Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O4 | 111.0° | 109.4° |
| C2 | C1 | H1 | 107.4° | 109.4° |
| C1 | C2 | C3 | 110.4° | 109.2° |
| C1 | C2 | O1 | 107.1° | 109.5° |
| C1 | C2 | H2 | 108.3° | 109.5° |
| C2 | C1 | O7 | 108.9° | 109.5° |
| O4 | C1 | H1 | 108.6° | 109.5° |
| C1 | O4 | C5 | 114.1° | 114.1° |
| O4 | C1 | O7 | 111.9° | 109.5° |
| H1 | C1 | O7 | 108.9° | 109.5° |
| C3 | C2 | O1 | 113.1° | 109.6° |
| C3 | C2 | H2 | 108.3° | 109.5° |
| C2 | C3 | C4 | 109.1° | 109.1° |
| C2 | C3 | O2 | 106.3° | 109.6° |
| C2 | C3 | H3 | 111.3° | 109.6° |
| O1 | C2 | H2 | 109.6° | 109.6° |
| C2 | O1 | H8 | 109.5° | 114.0° |
| C4 | C3 | O2 | 106.5° | 109.5° |
| C4 | C3 | H3 | 111.3° | 109.5° |
| C3 | C4 | C5 | 108.2° | 109.2° |
| C3 | C4 | O3 | 113.0° | 109.6° |
| C3 | C4 | H4 | 108.0° | 109.5° |
| O2 | C3 | H3 | 112.1° | 109.6° |
| C3 | O2 | P1 | 130.7° | 123.0° |
| C5 | C4 | O3 | 110.0° | 109.5° |
| C5 | C4 | H4 | 108.0° | 109.5° |
| C4 | C5 | C6 | 113.3° | 109.5° |
| C4 | C5 | O4 | 108.5° | 109.4° |
| C4 | C5 | H5 | 108.9° | 109.5° |
| O3 | C4 | H4 | 109.4° | 109.6° |
| C4 | O3 | H9 | 109.5° | 114.0° |
| C6 | C5 | O4 | 107.0° | 109.4° |
| C6 | C5 | H5 | 109.1° | 109.5° |
| C5 | C6 | O5 | 110.4° | 109.5° |
| C5 | C6 | H6 | 109.2° | 109.4° |
| C5 | C6 | H7 | 109.2° | 109.5° |
| O4 | C5 | H5 | 110.0° | 109.5° |
| O5 | C6 | H6 | 109.2° | 109.5° |
| O5 | C6 | H7 | 109.2° | 109.5° |
| C6 | O5 | H10 | 109.5° | 114.0° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| C8 | C7 | O6 | 110.7° | 109.5° |
| C8 | C7 | H11 | 109.2° | 109.4° |
| C8 | C7 | H12 | 109.2° | 109.5° |
| C7 | C8 | C9 | 115.7° | 109.9° |
| C7 | C8 | O7 | 111.5° | 109.9° |
| C7 | C8 | O10 | 106.8° | 109.8° |
| O6 | C7 | H11 | 109.2° | 109.5° |
| O6 | C7 | H12 | 109.2° | 109.5° |
| C7 | O6 | H18 | 109.5° | 114.0° |
| H11 | C7 | H12 | 109.4° | 109.5° |
| C9 | C8 | O7 | 120.1° | 109.9° |
| C9 | C8 | O10 | 105.2° | 107.3° |
| C8 | C9 | C10 | 100.0° | 104.2° |
| C8 | C9 | O8 | 111.0° | 110.5° |
| C8 | C9 | H13 | 109.9° | 110.5° |
| O7 | C8 | O10 | 94.0° | 110.0° |
| C8 | O7 | C1 | 144.3° | 114.0° |
| C8 | O10 | C11 | 109.7° | 107.0° |
| C10 | C9 | O8 | 113.9° | 110.5° |
| C10 | C9 | H13 | 110.0° | 110.5° |
| C9 | C10 | C11 | 99.2° | 102.1° |
| C9 | C10 | O9 | 114.6° | 111.0° |
| C9 | C10 | H14 | 109.4° | 111.0° |
| O8 | C9 | H13 | 111.5° | 110.5° |
| C9 | O8 | H19 | 109.5° | 114.0° |
| C11 | C10 | O9 | 112.8° | 110.9° |
| C11 | C10 | H14 | 109.5° | 110.9° |
| C10 | C11 | C12 | 115.5° | 110.6° |
| C10 | C11 | O10 | 103.1° | 103.5° |
| C10 | C11 | H15 | 109.2° | 110.6° |
| O9 | C10 | H14 | 110.8° | 110.8° |
| C10 | O9 | H20 | 109.5° | 114.0° |
| C12 | C11 | O10 | 109.1° | 110.6° |
| C12 | C11 | H15 | 109.4° | 110.5° |
| C11 | C12 | O11 | 110.7° | 109.5° |
| C11 | C12 | H16 | 109.2° | 109.5° |
| C11 | C12 | H17 | 109.2° | 109.4° |
| O10 | C11 | H15 | 110.4° | 110.8° |
| O11 | C12 | H16 | 109.2° | 109.5° |
| O11 | C12 | H17 | 109.2° | 109.4° |
| C12 | O11 | H21 | 109.5° | 114.0° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| O17 | C17 | C16 | 110.7° | 109.4° |
| O17 | C17 | H29 | 109.2° | 109.5° |
| O17 | C17 | H30 | 109.1° | 109.4° |
| C17 | O17 | H31 | 109.5° | 114.0° |
| C17 | C16 | O18 | 107.6° | 109.5° |
| C17 | C16 | C15 | 113.7° | 109.5° |
| C17 | C16 | H28 | 108.5° | 109.5° |
| C16 | C17 | H29 | 109.1° | 109.5° |
| C16 | C17 | H30 | 109.2° | 109.5° |
| O18 | C16 | C15 | 109.4° | 109.4° |
| C16 | O18 | C18 | 114.9° | 114.2° |
| O18 | C16 | H28 | 109.3° | 109.5° |
| C16 | C15 | O16 | 111.2° | 109.5° |
| C16 | C15 | C14 | 108.7° | 109.2° |
| C16 | C15 | H26 | 108.8° | 109.5° |
| C15 | C16 | H28 | 108.2° | 109.5° |
| O18 | C18 | O19 | 106.4° | 109.5° |
| O18 | C18 | C13 | 109.6° | 109.4° |
| O18 | C18 | H32 | 104.7° | 109.4° |
| O19 | C18 | C13 | 125.2° | 109.6° |
| O19 | C18 | H32 | 105.4° | 109.5° |
| C18 | O19 | H33 | 109.5° | 114.0° |
| C18 | C13 | C14 | 111.2° | 109.2° |
| C18 | C13 | O14 | 107.4° | 109.5° |
| C18 | C13 | H23 | 109.6° | 109.5° |
| C13 | C18 | H32 | 103.7° | 109.5° |
| O16 | C15 | C14 | 109.1° | 109.5° |
| O16 | C15 | H26 | 110.2° | 109.5° |
| C15 | O16 | H27 | 109.5° | 114.0° |
| C15 | C14 | C13 | 110.6° | 109.0° |
| C15 | C14 | O15 | 110.9° | 109.6° |
| C15 | C14 | H24 | 108.7° | 109.6° |
| C14 | C15 | H26 | 108.9° | 109.5° |
| C13 | C14 | O15 | 107.9° | 109.5° |
| C14 | C13 | O14 | 107.9° | 109.5° |
| C14 | C13 | H23 | 109.7° | 109.5° |
| C13 | C14 | H24 | 108.7° | 109.5° |
| O15 | C14 | H24 | 110.0° | 109.6° |
| C14 | O15 | H25 | 109.5° | 114.0° |
| C13 | O14 | P1 | 123.3° | 123.0° |
| O14 | C13 | H23 | 110.9° | 109.6° |
| O14 | P1 | O12 | 109.9° | 109.5° |
| O14 | P1 | O13 | 101.2° | 109.5° |
| O14 | P1 | O2 | 106.3° | 109.5° |
| O12 | P1 | O13 | 117.1° | 109.4° |
| O12 | P1 | O2 | 109.8° | 109.5° |
| P1 | O13 | H22 | 109.5° | 113.9° |
| O13 | P1 | O2 | 111.8° | 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 | O4 | H1 | 117.9° | 119.9° |
| C2 | C1 | O4 | O7 | 121.9° | 120.0° |
| C2 | C1 | H1 | O7 | 117.8° | 120.0° |
| C1 | C2 | C3 | O1 | 119.9° | 119.9° |
| C1 | C2 | C3 | H2 | 118.5° | 119.9° |
| C1 | C2 | O1 | H2 | 117.3° | 120.2° |
| C1 | C2 | C3 | C4 | 55.0° | 57.0° |
| C1 | C2 | C3 | O2 | 169.4° | 176.8° |
| C1 | C2 | C3 | H3 | 68.2° | 62.9° |
| C2 | C1 | O4 | C5 | 57.3° | 61.2° |
| C1 | C2 | O1 | H8 | 180.0° | 60.0° |
| C2 | C1 | O7 | C8 | 163.8° | 170.2° |
| O4 | C1 | H1 | O7 | 122.1° | 120.1° |
| O4 | C1 | C2 | C3 | 52.7° | 57.6° |
| O4 | C1 | C2 | O1 | 176.1° | 177.5° |
| O4 | C1 | C2 | H2 | 65.8° | 62.3° |
| C1 | O4 | C5 | C4 | 61.8° | 61.2° |
| C1 | O4 | C5 | C6 | 175.6° | 178.8° |
| C1 | O4 | C5 | H5 | 57.2° | 58.8° |
| O4 | C1 | O7 | C8 | 73.2° | 69.9° |
| H1 | C1 | C2 | C3 | 171.3° | 177.6° |
| H1 | C1 | C2 | O1 | 65.3° | 62.5° |
| H1 | C1 | C2 | H2 | 52.9° | 57.7° |
| H1 | C1 | O4 | C5 | 175.2° | 178.9° |
| H1 | C1 | O7 | C8 | 46.9° | 50.2° |
| C3 | C2 | O1 | H2 | 120.9° | 120.1° |
| C2 | C3 | C4 | O2 | 114.4° | 119.9° |
| C2 | C3 | C4 | H3 | 123.2° | 119.9° |
| C2 | C3 | O2 | H3 | 121.8° | 120.2° |
| C2 | C3 | C4 | C5 | 59.5° | 56.9° |
| C2 | C3 | C4 | O3 | 178.5° | 176.9° |
| C2 | C3 | C4 | H4 | 57.3° | 62.9° |
| C3 | C2 | O1 | H8 | 58.2° | 179.7° |
| C3 | C2 | C1 | O7 | 70.9° | 62.4° |
| C2 | C3 | O2 | P1 | 116.8° | 120.0° |
| O1 | C2 | C3 | C4 | 174.9° | 176.9° |
| O1 | C2 | C3 | O2 | 70.6° | 63.2° |
| O1 | C2 | C3 | H3 | 51.7° | 57.0° |
| O1 | C2 | C1 | O7 | 52.5° | 57.5° |
| H2 | C2 | C3 | C4 | 63.5° | 62.9° |
| H2 | C2 | C3 | O2 | 51.0° | 56.9° |
| H2 | C2 | C3 | H3 | 173.3° | 177.2° |
| H2 | C2 | O1 | H8 | 62.7° | 60.2° |
| H2 | C2 | C1 | O7 | 170.6° | 177.7° |
| C4 | C3 | O2 | H3 | 121.9° | 120.2° |
| C3 | C4 | C5 | O3 | 123.9° | 120.0° |
| C3 | C4 | C5 | H4 | 116.8° | 119.9° |
| C3 | C4 | O3 | H4 | 120.4° | 120.2° |
| C3 | C4 | C5 | C6 | 179.7° | 177.5° |
| C3 | C4 | C5 | O4 | 61.6° | 57.6° |
| C3 | C4 | C5 | H5 | 58.1° | 62.4° |
| C3 | C4 | O3 | H9 | 180.0° | 180.0° |
| C4 | C3 | O2 | P1 | 126.9° | 120.4° |
| O2 | C3 | C4 | C5 | 173.9° | 176.8° |
| O2 | C3 | C4 | O3 | 64.1° | 63.2° |
| O2 | C3 | C4 | H4 | 57.1° | 57.0° |
| C3 | O2 | P1 | O14 | 94.8° | 175.0° |
| C3 | O2 | P1 | O12 | 146.5° | 55.0° |
| C3 | O2 | P1 | O13 | 14.8° | 64.9° |
| H3 | C3 | C4 | C5 | 63.7° | 63.0° |
| H3 | C3 | C4 | O3 | 58.3° | 57.0° |
| H3 | C3 | C4 | H4 | 179.5° | 177.2° |
| H3 | C3 | O2 | P1 | 5.0° | 0.2° |
| C5 | C4 | O3 | H4 | 118.5° | 120.1° |
| C4 | C5 | C6 | O4 | 119.6° | 119.9° |
| C4 | C5 | C6 | H5 | 121.5° | 120.0° |
| C4 | C5 | O4 | H5 | 119.0° | 120.0° |
| C4 | C5 | C6 | O5 | 53.0° | 175.0° |
| C4 | C5 | C6 | H6 | 173.1° | 55.0° |
| C4 | C5 | C6 | H7 | 67.2° | 65.0° |
| C5 | C4 | O3 | H9 | 58.9° | 60.3° |
| O3 | C4 | C5 | C6 | 55.8° | 62.5° |
| O3 | C4 | C5 | O4 | 174.5° | 177.5° |
| O3 | C4 | C5 | H5 | 65.8° | 57.5° |
| H4 | C4 | C5 | C6 | 63.5° | 57.7° |
| H4 | C4 | C5 | O4 | 55.2° | 62.3° |
| H4 | C4 | C5 | H5 | 174.9° | 177.7° |
| H4 | C4 | O3 | H9 | 59.6° | 59.8° |
| C6 | C5 | O4 | H5 | 118.4° | 120.0° |
| C5 | C6 | O5 | H6 | 120.1° | 120.0° |
| C5 | C6 | O5 | H7 | 120.2° | 120.1° |
| C5 | C6 | H6 | H7 | 119.6° | 120.0° |
| C5 | C6 | O5 | H10 | 180.0° | 180.0° |
| O4 | C5 | C6 | O5 | 66.6° | 65.1° |
| O4 | C5 | C6 | H6 | 53.5° | 174.9° |
| O4 | C5 | C6 | H7 | 173.3° | 55.0° |
| C5 | O4 | C1 | O7 | 64.6° | 58.8° |
| H5 | C5 | C6 | O5 | 174.4° | 54.9° |
| H5 | C5 | C6 | H6 | 65.4° | 65.1° |
| H5 | C5 | C6 | H7 | 54.3° | 175.0° |
| O5 | C6 | H6 | H7 | 119.6° | 120.0° |
| H6 | C6 | O5 | H10 | 59.9° | 60.0° |
| H7 | C6 | O5 | H10 | 59.8° | 59.9° |
| C8 | C7 | O6 | H11 | 120.2° | 120.0° |
| C8 | C7 | O6 | H12 | 120.2° | 120.0° |
| C8 | C7 | H11 | H12 | 119.4° | 120.0° |
| C7 | C8 | C9 | O7 | 138.5° | 121.0° |
| C7 | C8 | C9 | O10 | 117.6° | 119.4° |
| C7 | C8 | O7 | O10 | 109.8° | 121.1° |
| C7 | C8 | C9 | C10 | 148.6° | 117.4° |
| C7 | C8 | C9 | O8 | 90.9° | 123.9° |
| C7 | C8 | C9 | H13 | 33.0° | 1.3° |
| C7 | C8 | O10 | C11 | 127.2° | 92.9° |
| C8 | C7 | O6 | H18 | 180.0° | 180.0° |
| C7 | C8 | O7 | C1 | 158.8° | 54.6° |
| O6 | C7 | H11 | H12 | 119.4° | 120.0° |
| O6 | C7 | C8 | C9 | 67.0° | 172.2° |
| O6 | C7 | C8 | O7 | 151.0° | 66.7° |
| O6 | C7 | C8 | O10 | 49.7° | 54.4° |
| H11 | C7 | C8 | C9 | 172.8° | 67.8° |
| H11 | C7 | C8 | O7 | 30.8° | 53.2° |
| H11 | C7 | C8 | O10 | 70.5° | 174.4° |
| H11 | C7 | O6 | H18 | 59.8° | 60.0° |
| H12 | C7 | C8 | C9 | 53.2° | 52.2° |
| H12 | C7 | C8 | O7 | 88.7° | 173.3° |
| H12 | C7 | C8 | O10 | 169.9° | 65.6° |
| H12 | C7 | O6 | H18 | 59.8° | 60.0° |
| C9 | C8 | O7 | O10 | 110.2° | 117.9° |
| C8 | C9 | C10 | O8 | 118.4° | 118.7° |
| C8 | C9 | C10 | H13 | 115.5° | 118.7° |
| C8 | C9 | O8 | H13 | 122.9° | 122.7° |
| C8 | C9 | C10 | C11 | 44.8° | 20.9° |
| C8 | C9 | C10 | O9 | 165.2° | 139.1° |
| C8 | C9 | C10 | H14 | 69.7° | 97.3° |
| C9 | C8 | O10 | C11 | 3.8° | 26.5° |
| C8 | C9 | O8 | H19 | 180.0° | 180.0° |
| C9 | C8 | O7 | C1 | 61.1° | 175.6° |
| O7 | C8 | C9 | C10 | 72.9° | 121.6° |
| O7 | C8 | C9 | O8 | 47.6° | 3.0° |
| O7 | C8 | C9 | H13 | 171.4° | 119.7° |
| O7 | C8 | O10 | C11 | 118.9° | 146.0° |
| O10 | C8 | C9 | C10 | 31.0° | 2.0° |
| O10 | C8 | C9 | O8 | 151.6° | 116.7° |
| O10 | C8 | C9 | H13 | 84.6° | 120.7° |
| C8 | O10 | C11 | C10 | 25.5° | 40.0° |
| C8 | O10 | C11 | C12 | 148.8° | 158.5° |
| C8 | O10 | C11 | H15 | 91.0° | 78.6° |
| O10 | C8 | O7 | C1 | 49.1° | 66.4° |
| C10 | C9 | O8 | H13 | 125.2° | 122.5° |
| C9 | C10 | C11 | O9 | 121.7° | 118.2° |
| C9 | C10 | C11 | H14 | 114.4° | 118.2° |
| C9 | C10 | O9 | H14 | 124.3° | 123.7° |
| C9 | C10 | C11 | C12 | 162.9° | 155.5° |
| C9 | C10 | C11 | O10 | 43.9° | 37.0° |
| C9 | C10 | C11 | H15 | 73.4° | 81.7° |
| C10 | C9 | O8 | H19 | 68.1° | 65.2° |
| C9 | C10 | O9 | H20 | 180.0° | 180.0° |
| O8 | C9 | C10 | C11 | 163.3° | 139.6° |
| O8 | C9 | C10 | O9 | 76.4° | 102.2° |
| O8 | C9 | C10 | H14 | 48.8° | 21.4° |
| H13 | C9 | C10 | C11 | 70.7° | 97.8° |
| H13 | C9 | C10 | O9 | 49.7° | 20.3° |
| H13 | C9 | C10 | H14 | 174.8° | 144.0° |
| H13 | C9 | O8 | H19 | 57.1° | 57.3° |
| C11 | C10 | O9 | H14 | 123.1° | 123.6° |
| C10 | C11 | C12 | O10 | 115.5° | 114.1° |
| C10 | C11 | C12 | H15 | 123.7° | 122.8° |
| C10 | C11 | O10 | H15 | 116.5° | 118.6° |
| C10 | C11 | C12 | O11 | 162.1° | 175.0° |
| C10 | C11 | C12 | H16 | 77.8° | 55.0° |
| C10 | C11 | C12 | H17 | 41.9° | 65.0° |
| C11 | C10 | O9 | H20 | 67.4° | 67.3° |
| O9 | C10 | C11 | C12 | 75.4° | 86.2° |
| O9 | C10 | C11 | O10 | 165.6° | 155.2° |
| O9 | C10 | C11 | H15 | 48.3° | 36.5° |
| H14 | C10 | C11 | C12 | 48.4° | 37.3° |
| H14 | C10 | C11 | O10 | 70.5° | 81.2° |
| H14 | C10 | C11 | H15 | 172.2° | 160.1° |
| H14 | C10 | O9 | H20 | 55.7° | 56.3° |
| C12 | C11 | O10 | H15 | 120.2° | 122.9° |
| C11 | C12 | O11 | H16 | 120.2° | 120.1° |
| C11 | C12 | O11 | H17 | 120.2° | 120.0° |
| C11 | C12 | H16 | H17 | 119.5° | 120.0° |
| C11 | C12 | O11 | H21 | 180.0° | 180.0° |
| O10 | C11 | C12 | O11 | 46.5° | 70.9° |
| O10 | C11 | C12 | H16 | 166.7° | 169.1° |
| O10 | C11 | C12 | H17 | 73.7° | 49.1° |
| H15 | C11 | C12 | O11 | 74.3° | 52.2° |
| H15 | C11 | C12 | H16 | 45.9° | 67.9° |
| H15 | C11 | C12 | H17 | 165.6° | 172.1° |
| O11 | C12 | H16 | H17 | 119.5° | 120.0° |
| H16 | C12 | O11 | H21 | 59.8° | 59.9° |
| H17 | C12 | O11 | H21 | 59.8° | 60.1° |
| O17 | C17 | C16 | H29 | 120.2° | 120.0° |
| O17 | C17 | C16 | H30 | 120.2° | 119.9° |
| O17 | C17 | C16 | O18 | 67.7° | 65.0° |
| O17 | C17 | C16 | C15 | 53.7° | 175.1° |
| O17 | C17 | C16 | H28 | 174.1° | 55.0° |
| O17 | C17 | H29 | H30 | 119.4° | 120.0° |
| C17 | C16 | O18 | C15 | 124.0° | 120.0° |
| C17 | C16 | O18 | H28 | 117.7° | 120.1° |
| C17 | C16 | C15 | H28 | 120.6° | 120.1° |
| C17 | C16 | O18 | C18 | 174.7° | 178.9° |
| C17 | C16 | C15 | O16 | 61.7° | 62.5° |
| C17 | C16 | C15 | C14 | 178.2° | 177.6° |
| C17 | C16 | C15 | H26 | 59.8° | 57.7° |
| C16 | C17 | H29 | H30 | 119.4° | 120.1° |
| C16 | C17 | O17 | H31 | 180.0° | 179.9° |
| O18 | C16 | C15 | H28 | 119.0° | 119.9° |
| C16 | O18 | C18 | O19 | 164.0° | 178.8° |
| C16 | O18 | C18 | C13 | 58.1° | 61.1° |
| O18 | C16 | C15 | O16 | 177.9° | 177.5° |
| O18 | C16 | C15 | C14 | 57.8° | 57.6° |
| O18 | C16 | C15 | H26 | 60.5° | 62.3° |
| O18 | C16 | C17 | H29 | 172.1° | 175.0° |
| O18 | C16 | C17 | H30 | 52.5° | 54.9° |
| C16 | O18 | C18 | H32 | 52.7° | 58.8° |
| C15 | C16 | O18 | C18 | 61.3° | 61.1° |
| C16 | C15 | O16 | C14 | 119.8° | 119.7° |
| C16 | C15 | O16 | H26 | 120.7° | 120.2° |
| C16 | C15 | C14 | H26 | 118.3° | 120.0° |
| C16 | C15 | C14 | C13 | 55.8° | 57.0° |
| C16 | C15 | C14 | O15 | 175.5° | 176.9° |
| C16 | C15 | C14 | H24 | 63.4° | 62.8° |
| C16 | C15 | O16 | H27 | 180.0° | 60.3° |
| C15 | C16 | C17 | H29 | 66.5° | 55.1° |
| C15 | C16 | C17 | H30 | 173.9° | 65.0° |
| O18 | C18 | O19 | C13 | 129.4° | 120.0° |
| O18 | C18 | O19 | H32 | 110.8° | 120.0° |
| O18 | C18 | C13 | H32 | 111.4° | 119.9° |
| O18 | C18 | C13 | C14 | 53.1° | 57.5° |
| O18 | C18 | C13 | O14 | 171.0° | 177.4° |
| O18 | C18 | C13 | H23 | 68.5° | 62.4° |
| C18 | O18 | C16 | H28 | 57.0° | 58.8° |
| O18 | C18 | O19 | H33 | 180.0° | 60.0° |
| O19 | C18 | C13 | H32 | 120.5° | 120.1° |
| O19 | C18 | C13 | C14 | 178.8° | 177.5° |
| O19 | C18 | C13 | O14 | 60.9° | 62.6° |
| O19 | C18 | C13 | H23 | 59.7° | 57.6° |
| C18 | C13 | C14 | C15 | 54.1° | 57.0° |
| C18 | C13 | C14 | O14 | 117.6° | 119.9° |
| C18 | C13 | C14 | H23 | 121.5° | 119.9° |
| C18 | C13 | C14 | O15 | 175.5° | 176.9° |
| C18 | C13 | O14 | H23 | 119.8° | 120.1° |
| C18 | C13 | O14 | P1 | 113.1° | 120.1° |
| C18 | C13 | C14 | H24 | 65.2° | 63.0° |
| C13 | C18 | O19 | H33 | 50.6° | 180.0° |
| O16 | C15 | C14 | H26 | 120.3° | 120.2° |
| O16 | C15 | C14 | C13 | 177.3° | 176.9° |
| O16 | C15 | C14 | O15 | 63.1° | 63.2° |
| O16 | C15 | C14 | H24 | 58.0° | 57.1° |
| O16 | C15 | C16 | H28 | 58.9° | 57.6° |
| C15 | C14 | C13 | O15 | 121.5° | 119.9° |
| C15 | C14 | C13 | H24 | 119.2° | 119.9° |
| C15 | C14 | O15 | H24 | 120.3° | 120.3° |
| C15 | C14 | C13 | O14 | 171.6° | 176.9° |
| C15 | C14 | C13 | H23 | 67.4° | 63.0° |
| C15 | C14 | O15 | H25 | 180.0° | 60.5° |
| C14 | C15 | O16 | H27 | 60.2° | 180.0° |
| C14 | C15 | C16 | H28 | 61.2° | 62.3° |
| C13 | C14 | O15 | H24 | 118.4° | 120.2° |
| C14 | C13 | O14 | H23 | 120.2° | 120.1° |
| C14 | C13 | O14 | P1 | 126.9° | 120.1° |
| C13 | C14 | O15 | H25 | 58.7° | 180.0° |
| C13 | C14 | C15 | H26 | 62.5° | 62.9° |
| C14 | C13 | C18 | H32 | 58.3° | 62.4° |
| O15 | C14 | C13 | O14 | 66.9° | 63.3° |
| O15 | C14 | C13 | H23 | 54.0° | 56.9° |
| O15 | C14 | C15 | H26 | 57.2° | 56.9° |
| C13 | O14 | P1 | O12 | 31.9° | 55.0° |
| C13 | O14 | P1 | O13 | 156.3° | 65.0° |
| O14 | C13 | C14 | H24 | 52.4° | 56.9° |
| O14 | C13 | C18 | H32 | 59.6° | 57.5° |
| C13 | O14 | P1 | O2 | 86.8° | 175.0° |
| O14 | P1 | O12 | O13 | 114.6° | 120.0° |
| O14 | P1 | O12 | O2 | 116.6° | 120.0° |
| O14 | P1 | O13 | O2 | 112.8° | 120.0° |
| O14 | P1 | O13 | H22 | 119.3° | 60.0° |
| P1 | O14 | C13 | H23 | 6.7° | 0.0° |
| O12 | P1 | O13 | O2 | 127.8° | 120.0° |
| O12 | P1 | O13 | H22 | 0.0° | 180.0° |
| H22 | O13 | P1 | O2 | 127.9° | 60.0° |
| H23 | C13 | C14 | H24 | 173.3° | 177.1° |
| H23 | C13 | C18 | H32 | 179.9° | 177.7° |
| H24 | C14 | O15 | H25 | 59.7° | 59.9° |
| H24 | C14 | C15 | H26 | 178.2° | 177.2° |
| H26 | C15 | O16 | H27 | 59.3° | 59.9° |
| H26 | C15 | C16 | H28 | 179.6° | 177.7° |
| H28 | C16 | C17 | H29 | 53.9° | 64.9° |
| H28 | C16 | C17 | H30 | 65.7° | 175.0° |
| H29 | C17 | O17 | H31 | 59.8° | 60.0° |
| H30 | C17 | O17 | H31 | 59.8° | 60.1° |
| H32 | C18 | O19 | H33 | 69.2° | 60.0° |
