PRD_900119
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.38Å | |
| C1 | O4 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.47Å | 1.45Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | O2 | sing | 1.43Å | 1.44Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O3 | sing | 1.43Å | 1.44Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | O4 | sing | 1.43Å | 1.45Å | |
| 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 | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | N1 | sing | 1.35Å | 1.33Å | |
| C7 | O6 | doub | 1.21Å | 1.24Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å | |
| O5 | H13 | sing | 0.97Å | 0.95Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | O10 | sing | 1.43Å | 1.44Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | O7 | sing | 1.43Å | 1.42Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | O8 | sing | 1.43Å | 1.42Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | O9 | sing | 1.43Å | 1.42Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | O10 | sing | 1.43Å | 1.45Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| O7 | H22 | sing | 0.97Å | 0.95Å | |
| O8 | H23 | sing | 0.97Å | 0.95Å | |
| O9 | H24 | sing | 0.97Å | 0.95Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | O14 | sing | 1.43Å | 1.44Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | O11 | sing | 1.43Å | 1.42Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | O12 | sing | 1.43Å | 1.42Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | O13 | sing | 1.43Å | 1.42Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | O14 | sing | 1.43Å | 1.45Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | O15 | sing | 1.43Å | 1.42Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| O11 | H32 | sing | 0.97Å | 0.95Å | |
| O12 | H33 | sing | 0.97Å | 0.95Å | |
| O13 | H34 | sing | 0.97Å | 0.95Å | |
| O15 | H35 | sing | 0.97Å | 0.95Å | |
| O2 | C9 | sing | 1.43Å | 1.40Å | |
| O3 | C15 | sing | 1.43Å | 1.38Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 109.1° | 109.4° |
| C2 | C1 | O4 | 109.8° | 109.4° |
| C2 | C1 | H1 | 108.8° | 109.5° |
| C1 | C2 | C3 | 109.7° | 109.1° |
| C1 | C2 | N1 | 109.8° | 109.5° |
| C1 | C2 | H2 | 108.6° | 109.5° |
| O1 | C1 | O4 | 108.1° | 109.5° |
| O1 | C1 | H1 | 110.9° | 109.5° |
| C1 | O1 | H12 | 109.5° | 114.0° |
| O4 | C1 | H1 | 110.1° | 109.5° |
| C1 | O4 | C5 | 112.6° | 114.1° |
| C3 | C2 | N1 | 110.4° | 109.5° |
| C3 | C2 | H2 | 108.6° | 109.5° |
| C2 | C3 | C4 | 109.4° | 109.1° |
| C2 | C3 | O2 | 109.7° | 109.5° |
| C2 | C3 | H3 | 108.9° | 109.6° |
| N1 | C2 | H2 | 109.7° | 109.6° |
| C2 | N1 | C7 | 119.9° | 120.0° |
| C2 | N1 | H11 | 120.0° | 120.0° |
| C4 | C3 | O2 | 109.8° | 109.5° |
| C4 | C3 | H3 | 108.9° | 109.5° |
| C3 | C4 | C5 | 109.8° | 109.1° |
| C3 | C4 | O3 | 110.0° | 109.5° |
| C3 | C4 | H4 | 108.7° | 109.5° |
| O2 | C3 | H3 | 110.1° | 109.6° |
| C3 | O2 | C9 | 115.0° | 114.0° |
| C5 | C4 | O3 | 109.8° | 109.5° |
| C5 | C4 | H4 | 108.7° | 109.5° |
| C4 | C5 | C6 | 112.2° | 109.4° |
| C4 | C5 | O4 | 110.0° | 109.4° |
| C4 | C5 | H5 | 108.7° | 109.5° |
| O3 | C4 | H4 | 109.9° | 109.6° |
| C4 | O3 | C15 | 116.3° | 114.0° |
| C6 | C5 | O4 | 107.1° | 109.5° |
| C6 | C5 | H5 | 108.9° | 109.5° |
| C5 | C6 | O5 | 111.0° | 109.5° |
| C5 | C6 | H6 | 109.1° | 109.5° |
| C5 | C6 | H7 | 109.1° | 109.5° |
| O4 | C5 | H5 | 109.8° | 109.5° |
| O5 | C6 | H6 | 109.1° | 109.4° |
| O5 | C6 | H7 | 109.1° | 109.4° |
| C6 | O5 | H13 | 109.5° | 114.0° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| C8 | C7 | N1 | 116.9° | 120.0° |
| C8 | C7 | O6 | 120.1° | 120.0° |
| C7 | C8 | H8 | 109.5° | 109.4° |
| C7 | C8 | H9 | 109.5° | 109.4° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| N1 | C7 | O6 | 123.0° | 120.0° |
| C7 | N1 | H11 | 120.0° | 120.0° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H10 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.4° | 109.5° |
| C10 | C9 | O10 | 111.0° | 109.4° |
| C10 | C9 | H14 | 106.8° | 109.5° |
| C9 | C10 | C11 | 110.3° | 109.2° |
| C9 | C10 | O7 | 109.7° | 109.5° |
| C9 | C10 | H15 | 108.6° | 109.6° |
| C10 | C9 | O2 | 109.8° | 109.5° |
| O10 | C9 | H14 | 108.0° | 109.5° |
| C9 | O10 | C13 | 114.6° | 114.1° |
| O10 | C9 | O2 | 112.7° | 109.5° |
| H14 | C9 | O2 | 108.5° | 109.5° |
| C11 | C10 | O7 | 109.2° | 109.5° |
| C11 | C10 | H15 | 108.7° | 109.5° |
| C10 | C11 | C12 | 110.1° | 109.0° |
| C10 | C11 | O8 | 109.7° | 109.5° |
| C10 | C11 | H16 | 108.5° | 109.6° |
| O7 | C10 | H15 | 110.2° | 109.6° |
| C10 | O7 | H22 | 109.5° | 114.0° |
| C12 | C11 | O8 | 110.1° | 109.5° |
| C12 | C11 | H16 | 108.5° | 109.6° |
| C11 | C12 | C13 | 109.7° | 109.1° |
| C11 | C12 | O9 | 109.7° | 109.5° |
| C11 | C12 | H17 | 108.8° | 109.5° |
| O8 | C11 | H16 | 110.0° | 109.7° |
| C11 | O8 | H23 | 109.5° | 114.0° |
| C13 | C12 | O9 | 109.6° | 109.6° |
| C13 | C12 | H17 | 108.8° | 109.6° |
| C12 | C13 | C14 | 112.3° | 109.4° |
| C12 | C13 | O10 | 110.0° | 109.4° |
| C12 | C13 | H18 | 108.6° | 109.5° |
| O9 | C12 | H17 | 110.3° | 109.6° |
| C12 | O9 | H24 | 109.5° | 114.0° |
| C14 | C13 | O10 | 107.5° | 109.5° |
| C14 | C13 | H18 | 108.7° | 109.5° |
| C13 | C14 | H19 | 109.5° | 109.5° |
| C13 | C14 | H20 | 109.5° | 109.4° |
| C13 | C14 | H21 | 109.4° | 109.5° |
| O10 | C13 | H18 | 109.7° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H21 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.4° |
| C16 | C15 | O14 | 110.2° | 109.4° |
| C16 | C15 | H25 | 108.6° | 109.5° |
| C15 | C16 | C17 | 110.5° | 109.1° |
| C15 | C16 | O11 | 109.4° | 109.5° |
| C15 | C16 | H26 | 108.7° | 109.5° |
| C16 | C15 | O3 | 109.2° | 109.5° |
| O14 | C15 | H25 | 109.8° | 109.5° |
| C15 | O14 | C19 | 112.5° | 114.1° |
| O14 | C15 | O3 | 108.3° | 109.5° |
| H25 | C15 | O3 | 110.6° | 109.5° |
| C17 | C16 | O11 | 109.4° | 109.5° |
| C17 | C16 | H26 | 108.7° | 109.5° |
| C16 | C17 | C18 | 110.9° | 109.0° |
| C16 | C17 | O12 | 109.1° | 109.6° |
| C16 | C17 | H27 | 108.7° | 109.6° |
| O11 | C16 | H26 | 110.2° | 109.6° |
| C16 | O11 | H32 | 109.5° | 114.0° |
| C18 | C17 | O12 | 109.3° | 109.5° |
| C18 | C17 | H27 | 108.7° | 109.5° |
| C17 | C18 | C19 | 110.5° | 109.2° |
| C17 | C18 | O13 | 109.6° | 109.6° |
| C17 | C18 | H28 | 108.5° | 109.5° |
| O12 | C17 | H27 | 110.3° | 109.6° |
| C17 | O12 | H33 | 109.5° | 114.0° |
| C19 | C18 | O13 | 109.9° | 109.5° |
| C19 | C18 | H28 | 108.4° | 109.5° |
| C18 | C19 | C20 | 112.4° | 109.5° |
| C18 | C19 | O14 | 110.2° | 109.4° |
| C18 | C19 | H29 | 108.5° | 109.5° |
| O13 | C18 | H28 | 110.0° | 109.5° |
| C18 | O13 | H34 | 109.5° | 114.0° |
| C20 | C19 | O14 | 107.2° | 109.5° |
| C20 | C19 | H29 | 108.8° | 109.5° |
| C19 | C20 | O15 | 111.2° | 109.5° |
| C19 | C20 | H30 | 109.1° | 109.5° |
| C19 | C20 | H31 | 109.1° | 109.5° |
| O14 | C19 | H29 | 109.8° | 109.5° |
| O15 | C20 | H30 | 109.0° | 109.4° |
| O15 | C20 | H31 | 109.0° | 109.4° |
| C20 | O15 | H35 | 109.5° | 114.1° |
| H30 | C20 | H31 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O4 | 119.4° | 119.9° |
| C2 | C1 | O1 | H1 | 119.9° | 120.0° |
| C2 | C1 | O4 | H1 | 119.8° | 120.0° |
| C1 | C2 | C3 | N1 | 121.1° | 119.9° |
| C1 | C2 | C3 | H2 | 118.6° | 119.9° |
| C1 | C2 | N1 | H2 | 119.3° | 120.2° |
| C1 | C2 | C3 | C4 | 55.8° | 57.0° |
| C1 | C2 | C3 | O2 | 176.3° | 176.8° |
| C1 | C2 | C3 | H3 | 63.1° | 62.9° |
| C2 | C1 | O4 | C5 | 61.5° | 61.2° |
| C1 | C2 | N1 | C7 | 135.3° | 85.1° |
| C1 | C2 | N1 | H11 | 44.7° | 95.0° |
| C2 | C1 | O1 | H12 | 180.0° | 180.0° |
| O1 | C1 | O4 | H1 | 121.2° | 120.1° |
| O1 | C1 | C2 | C3 | 176.5° | 177.6° |
| O1 | C1 | C2 | N1 | 61.9° | 62.5° |
| O1 | C1 | C2 | H2 | 58.0° | 57.7° |
| O1 | C1 | O4 | C5 | 179.6° | 178.9° |
| O4 | C1 | C2 | C3 | 58.2° | 57.6° |
| O4 | C1 | C2 | N1 | 179.8° | 177.5° |
| O4 | C1 | C2 | H2 | 60.3° | 62.3° |
| C1 | O4 | C5 | C4 | 61.0° | 61.2° |
| C1 | O4 | C5 | C6 | 176.8° | 178.9° |
| C1 | O4 | C5 | H5 | 58.7° | 58.8° |
| O4 | C1 | O1 | H12 | 60.6° | 60.1° |
| H1 | C1 | C2 | C3 | 62.4° | 62.4° |
| H1 | C1 | C2 | N1 | 59.2° | 57.5° |
| H1 | C1 | C2 | H2 | 179.1° | 177.7° |
| H1 | C1 | O4 | C5 | 58.3° | 58.8° |
| H1 | C1 | O1 | H12 | 60.1° | 60.0° |
| C3 | C2 | N1 | H2 | 119.6° | 120.2° |
| C2 | C3 | C4 | O2 | 120.4° | 119.9° |
| C2 | C3 | C4 | H3 | 118.9° | 119.9° |
| C2 | C3 | O2 | H3 | 119.9° | 120.3° |
| C2 | C3 | C4 | C5 | 55.2° | 57.0° |
| C2 | C3 | C4 | O3 | 176.1° | 176.9° |
| C2 | C3 | C4 | H4 | 63.5° | 62.9° |
| C3 | C2 | N1 | C7 | 103.6° | 155.3° |
| C3 | C2 | N1 | H11 | 76.4° | 24.7° |
| C2 | C3 | O2 | C9 | 107.6° | 90.0° |
| N1 | C2 | C3 | C4 | 177.0° | 176.9° |
| N1 | C2 | C3 | O2 | 62.6° | 63.3° |
| N1 | C2 | C3 | H3 | 58.0° | 57.0° |
| C2 | N1 | C7 | C8 | 160.8° | 180.0° |
| C2 | N1 | C7 | H11 | 180.0° | 180.0° |
| C2 | N1 | C7 | O6 | 19.5° | 0.0° |
| H2 | C2 | C3 | C4 | 62.8° | 62.9° |
| H2 | C2 | C3 | O2 | 57.7° | 57.0° |
| H2 | C2 | C3 | H3 | 178.3° | 177.3° |
| H2 | C2 | N1 | C7 | 16.0° | 35.1° |
| H2 | C2 | N1 | H11 | 164.0° | 144.9° |
| C4 | C3 | O2 | H3 | 119.9° | 120.2° |
| C3 | C4 | C5 | O3 | 121.0° | 119.9° |
| C3 | C4 | C5 | H4 | 118.7° | 119.9° |
| C3 | C4 | O3 | H4 | 119.6° | 120.2° |
| C3 | C4 | C5 | C6 | 176.0° | 177.6° |
| C3 | C4 | C5 | O4 | 56.9° | 57.6° |
| C3 | C4 | C5 | H5 | 63.4° | 62.4° |
| C4 | C3 | O2 | C9 | 132.2° | 150.4° |
| C3 | C4 | O3 | C15 | 133.2° | 128.1° |
| O2 | C3 | C4 | C5 | 175.6° | 176.9° |
| O2 | C3 | C4 | O3 | 63.5° | 63.3° |
| O2 | C3 | C4 | H4 | 56.9° | 57.0° |
| C3 | O2 | C9 | C10 | 162.7° | 175.0° |
| C3 | O2 | C9 | O10 | 73.0° | 65.1° |
| C3 | O2 | C9 | H14 | 46.4° | 54.9° |
| H3 | C3 | C4 | C5 | 63.7° | 62.9° |
| H3 | C3 | C4 | O3 | 57.1° | 56.9° |
| H3 | C3 | C4 | H4 | 177.5° | 177.2° |
| H3 | C3 | O2 | C9 | 12.3° | 30.3° |
| C5 | C4 | O3 | H4 | 119.5° | 120.2° |
| C4 | C5 | C6 | O4 | 120.8° | 119.9° |
| C4 | C5 | C6 | H5 | 120.5° | 120.0° |
| C4 | C5 | O4 | H5 | 119.6° | 120.0° |
| C4 | C5 | C6 | O5 | 55.6° | 174.7° |
| C4 | C5 | C6 | H6 | 175.8° | 54.7° |
| C4 | C5 | C6 | H7 | 64.7° | 65.4° |
| C5 | C4 | O3 | C15 | 105.9° | 112.2° |
| O3 | C4 | C5 | C6 | 63.0° | 62.5° |
| O3 | C4 | C5 | O4 | 177.9° | 177.5° |
| O3 | C4 | C5 | H5 | 57.6° | 57.5° |
| C4 | O3 | C15 | C16 | 163.8° | 174.8° |
| C4 | O3 | C15 | O14 | 76.2° | 65.2° |
| C4 | O3 | C15 | H25 | 44.3° | 54.8° |
| H4 | C4 | C5 | C6 | 57.3° | 57.7° |
| H4 | C4 | C5 | O4 | 61.8° | 62.3° |
| H4 | C4 | C5 | H5 | 177.9° | 177.7° |
| H4 | C4 | O3 | C15 | 13.6° | 7.9° |
| C6 | C5 | O4 | H5 | 118.2° | 120.1° |
| C5 | C6 | O5 | H6 | 120.2° | 120.1° |
| C5 | C6 | O5 | H7 | 120.2° | 120.0° |
| C5 | C6 | H6 | H7 | 119.3° | 120.1° |
| C5 | C6 | O5 | H13 | 180.0° | 180.0° |
| O4 | C5 | C6 | O5 | 65.3° | 65.4° |
| O4 | C5 | C6 | H6 | 55.0° | 174.6° |
| O4 | C5 | C6 | H7 | 174.5° | 54.6° |
| H5 | C5 | C6 | O5 | 176.0° | 54.7° |
| H5 | C5 | C6 | H6 | 63.7° | 65.3° |
| H5 | C5 | C6 | H7 | 55.8° | 174.7° |
| O5 | C6 | H6 | H7 | 119.3° | 119.9° |
| H6 | C6 | O5 | H13 | 59.8° | 59.9° |
| H7 | C6 | O5 | H13 | 59.8° | 60.0° |
| C8 | C7 | N1 | O6 | 179.8° | 180.0° |
| C7 | C8 | H8 | H9 | 120.0° | 119.9° |
| C7 | C8 | H8 | H10 | 120.0° | 120.0° |
| C7 | C8 | H9 | H10 | 120.0° | 120.0° |
| C8 | C7 | N1 | H11 | 19.2° | 0.0° |
| N1 | C7 | C8 | H8 | 179.8° | 0.0° |
| N1 | C7 | C8 | H9 | 59.7° | 120.0° |
| N1 | C7 | C8 | H10 | 60.2° | 120.0° |
| O6 | C7 | C8 | H8 | 0.0° | 180.0° |
| O6 | C7 | C8 | H9 | 120.0° | 60.0° |
| O6 | C7 | C8 | H10 | 120.0° | 60.0° |
| O6 | C7 | N1 | H11 | 160.5° | 180.0° |
| H8 | C8 | H9 | H10 | 120.0° | 120.1° |
| C10 | C9 | O10 | H14 | 116.7° | 120.0° |
| C10 | C9 | O10 | O2 | 123.6° | 120.0° |
| C10 | C9 | H14 | O2 | 118.2° | 120.0° |
| C9 | C10 | C11 | O7 | 120.7° | 119.9° |
| C9 | C10 | C11 | H15 | 119.0° | 119.9° |
| C9 | C10 | O7 | H15 | 119.6° | 120.2° |
| C9 | C10 | C11 | C12 | 54.7° | 57.0° |
| C9 | C10 | C11 | O8 | 176.0° | 176.8° |
| C9 | C10 | C11 | H16 | 63.8° | 62.9° |
| C10 | C9 | O10 | C13 | 57.0° | 61.2° |
| C9 | C10 | O7 | H22 | 0.9° | 60.0° |
| O10 | C9 | H14 | O2 | 122.4° | 120.0° |
| O10 | C9 | C10 | C11 | 54.0° | 57.6° |
| O10 | C9 | C10 | O7 | 174.3° | 177.5° |
| O10 | C9 | C10 | H15 | 65.1° | 62.3° |
| C9 | O10 | C13 | C12 | 58.4° | 61.2° |
| C9 | O10 | C13 | C14 | 179.0° | 178.9° |
| C9 | O10 | C13 | H18 | 61.0° | 58.8° |
| H14 | C9 | C10 | C11 | 171.4° | 177.6° |
| H14 | C9 | C10 | O7 | 68.2° | 62.5° |
| H14 | C9 | C10 | H15 | 52.3° | 57.7° |
| H14 | C9 | O10 | C13 | 173.7° | 178.8° |
| C11 | C10 | O7 | H15 | 119.4° | 120.1° |
| C10 | C11 | C12 | O8 | 121.1° | 119.8° |
| C10 | C11 | C12 | H16 | 118.6° | 119.9° |
| C10 | C11 | O8 | H16 | 119.3° | 120.3° |
| C10 | C11 | C12 | C13 | 56.4° | 57.0° |
| C10 | C11 | C12 | O9 | 64.1° | 62.9° |
| C10 | C11 | C12 | H17 | 175.3° | 176.9° |
| C11 | C10 | O7 | H22 | 121.9° | 179.7° |
| C10 | C11 | O8 | H23 | 180.0° | 60.1° |
| C11 | C10 | C9 | O2 | 71.2° | 62.4° |
| O7 | C10 | C11 | C12 | 175.4° | 176.9° |
| O7 | C10 | C11 | O8 | 63.3° | 63.3° |
| O7 | C10 | C11 | H16 | 56.9° | 57.0° |
| O7 | C10 | C9 | O2 | 49.1° | 57.5° |
| H15 | C10 | C11 | C12 | 64.3° | 62.9° |
| H15 | C10 | C11 | O8 | 57.0° | 56.9° |
| H15 | C10 | C11 | H16 | 177.2° | 177.2° |
| H15 | C10 | O7 | H22 | 118.7° | 60.2° |
| H15 | C10 | C9 | O2 | 169.7° | 177.8° |
| C12 | C11 | O8 | H16 | 119.4° | 120.2° |
| C11 | C12 | C13 | O9 | 120.5° | 119.9° |
| C11 | C12 | C13 | H17 | 118.9° | 119.8° |
| C11 | C12 | O9 | H17 | 119.8° | 120.1° |
| C11 | C12 | C13 | C14 | 176.5° | 177.6° |
| C11 | C12 | C13 | O10 | 56.8° | 57.6° |
| C11 | C12 | C13 | H18 | 63.2° | 62.4° |
| C12 | C11 | O8 | H23 | 58.7° | 179.6° |
| C11 | C12 | O9 | H24 | 180.0° | 179.9° |
| O8 | C11 | C12 | C13 | 177.5° | 176.8° |
| O8 | C11 | C12 | O9 | 57.0° | 56.9° |
| O8 | C11 | C12 | H17 | 63.7° | 63.3° |
| H16 | C11 | C12 | C13 | 62.2° | 62.9° |
| H16 | C11 | C12 | O9 | 177.4° | 177.2° |
| H16 | C11 | C12 | H17 | 56.7° | 57.0° |
| H16 | C11 | O8 | H23 | 60.7° | 60.2° |
| C13 | C12 | O9 | H17 | 119.7° | 120.2° |
| C12 | C13 | C14 | O10 | 121.1° | 119.9° |
| C12 | C13 | C14 | H18 | 120.2° | 120.0° |
| C12 | C13 | O10 | H18 | 119.4° | 120.0° |
| C12 | C13 | C14 | H19 | 180.0° | 60.0° |
| C12 | C13 | C14 | H20 | 60.0° | 180.0° |
| C12 | C13 | C14 | H21 | 60.0° | 60.1° |
| C13 | C12 | O9 | H24 | 59.5° | 60.3° |
| O9 | C12 | C13 | C14 | 56.0° | 57.7° |
| O9 | C12 | C13 | O10 | 63.7° | 62.2° |
| O9 | C12 | C13 | H18 | 176.3° | 177.7° |
| H17 | C12 | C13 | C14 | 64.6° | 62.5° |
| H17 | C12 | C13 | O10 | 175.7° | 177.5° |
| H17 | C12 | C13 | H18 | 55.6° | 57.4° |
| H17 | C12 | O9 | H24 | 60.2° | 59.9° |
| C14 | C13 | O10 | H18 | 118.1° | 120.1° |
| C13 | C14 | H19 | H20 | 120.0° | 120.0° |
| C13 | C14 | H19 | H21 | 120.0° | 120.1° |
| C13 | C14 | H20 | H21 | 120.0° | 120.0° |
| O10 | C13 | C14 | H19 | 58.9° | 180.0° |
| O10 | C13 | C14 | H20 | 61.1° | 60.1° |
| O10 | C13 | C14 | H21 | 178.9° | 59.9° |
| C13 | O10 | C9 | O2 | 66.5° | 58.8° |
| H18 | C13 | C14 | H19 | 59.8° | 60.0° |
| H18 | C13 | C14 | H20 | 179.8° | 60.0° |
| H18 | C13 | C14 | H21 | 60.2° | 179.9° |
| H19 | C14 | H20 | H21 | 120.0° | 120.0° |
| C16 | C15 | O14 | H25 | 119.7° | 120.0° |
| C16 | C15 | O14 | O3 | 119.4° | 120.0° |
| C16 | C15 | H25 | O3 | 119.9° | 120.0° |
| C15 | C16 | C17 | O11 | 120.5° | 119.9° |
| C15 | C16 | C17 | H26 | 119.2° | 119.9° |
| C15 | C16 | O11 | H26 | 119.5° | 120.2° |
| C15 | C16 | C17 | C18 | 52.0° | 57.0° |
| C15 | C16 | C17 | O12 | 172.4° | 176.8° |
| C15 | C16 | C17 | H27 | 67.3° | 62.9° |
| C16 | C15 | O14 | C19 | 62.2° | 61.2° |
| C15 | C16 | O11 | H32 | 180.0° | 60.0° |
| O14 | C15 | H25 | O3 | 119.5° | 120.1° |
| O14 | C15 | C16 | C17 | 56.6° | 57.6° |
| O14 | C15 | C16 | O11 | 177.1° | 177.5° |
| O14 | C15 | C16 | H26 | 62.5° | 62.2° |
| C15 | O14 | C19 | C18 | 61.4° | 61.1° |
| C15 | O14 | C19 | C20 | 176.0° | 178.9° |
| C15 | O14 | C19 | H29 | 58.1° | 58.8° |
| H25 | C15 | C16 | C17 | 63.8° | 62.4° |
| H25 | C15 | C16 | O11 | 56.7° | 57.5° |
| H25 | C15 | C16 | H26 | 177.1° | 177.7° |
| H25 | C15 | O14 | C19 | 57.4° | 58.8° |
| C17 | C16 | O11 | H26 | 119.4° | 120.2° |
| C16 | C17 | C18 | O12 | 120.3° | 119.9° |
| C16 | C17 | C18 | H27 | 119.4° | 119.9° |
| C16 | C17 | O12 | H27 | 119.3° | 120.3° |
| C16 | C17 | C18 | C19 | 51.2° | 57.0° |
| C16 | C17 | C18 | O13 | 70.0° | 62.9° |
| C16 | C17 | C18 | H28 | 169.9° | 176.9° |
| C17 | C16 | O11 | H32 | 58.8° | 179.7° |
| C16 | C17 | O12 | H33 | 180.0° | 60.0° |
| C17 | C16 | C15 | O3 | 175.5° | 177.6° |
| O11 | C16 | C17 | C18 | 172.5° | 176.9° |
| O11 | C16 | C17 | O12 | 67.1° | 63.3° |
| O11 | C16 | C17 | H27 | 53.1° | 57.0° |
| O11 | C16 | C15 | O3 | 64.0° | 62.5° |
| H26 | C16 | C17 | C18 | 67.1° | 62.9° |
| H26 | C16 | C17 | O12 | 53.2° | 57.0° |
| H26 | C16 | C17 | H27 | 173.5° | 177.2° |
| H26 | C16 | O11 | H32 | 60.6° | 60.1° |
| H26 | C16 | C15 | O3 | 56.3° | 57.7° |
| C18 | C17 | O12 | H27 | 119.4° | 120.2° |
| C17 | C18 | C19 | O13 | 121.1° | 120.0° |
| C17 | C18 | C19 | H28 | 118.7° | 119.9° |
| C17 | C18 | O13 | H28 | 119.1° | 120.2° |
| C17 | C18 | C19 | C20 | 174.4° | 177.6° |
| C17 | C18 | C19 | O14 | 54.9° | 57.6° |
| C17 | C18 | C19 | H29 | 65.3° | 62.3° |
| C18 | C17 | O12 | H33 | 58.7° | 179.5° |
| C17 | C18 | O13 | H34 | 180.0° | 59.9° |
| O12 | C17 | C18 | C19 | 171.5° | 176.9° |
| O12 | C17 | C18 | O13 | 50.3° | 56.9° |
| O12 | C17 | C18 | H28 | 69.8° | 63.2° |
| H27 | C17 | C18 | C19 | 68.1° | 62.9° |
| H27 | C17 | C18 | O13 | 170.6° | 177.2° |
| H27 | C17 | C18 | H28 | 50.6° | 57.0° |
| H27 | C17 | O12 | H33 | 60.7° | 60.3° |
| C19 | C18 | O13 | H28 | 119.2° | 120.1° |
| C18 | C19 | C20 | O14 | 121.2° | 119.9° |
| C18 | C19 | C20 | H29 | 120.2° | 120.1° |
| C18 | C19 | O14 | H29 | 119.5° | 120.0° |
| C18 | C19 | C20 | O15 | 165.8° | 175.0° |
| C18 | C19 | C20 | H30 | 45.5° | 55.0° |
| C18 | C19 | C20 | H31 | 74.0° | 65.0° |
| C19 | C18 | O13 | H34 | 58.3° | 179.7° |
| O13 | C18 | C19 | C20 | 53.3° | 57.6° |
| O13 | C18 | C19 | O14 | 66.1° | 62.3° |
| O13 | C18 | C19 | H29 | 173.7° | 177.7° |
| H28 | C18 | C19 | C20 | 66.9° | 62.5° |
| H28 | C18 | C19 | O14 | 173.7° | 177.6° |
| H28 | C18 | C19 | H29 | 53.5° | 57.6° |
| H28 | C18 | O13 | H34 | 60.9° | 60.2° |
| C20 | C19 | O14 | H29 | 117.9° | 120.0° |
| C19 | C20 | O15 | H30 | 120.3° | 120.0° |
| C19 | C20 | O15 | H31 | 120.3° | 120.0° |
| C19 | C20 | H30 | H31 | 119.3° | 120.0° |
| C19 | C20 | O15 | H35 | 180.0° | 180.0° |
| O14 | C19 | C20 | O15 | 73.0° | 65.1° |
| O14 | C19 | C20 | H30 | 166.7° | 175.0° |
| O14 | C19 | C20 | H31 | 47.2° | 54.9° |
| C19 | O14 | C15 | O3 | 178.3° | 178.9° |
| H29 | C19 | C20 | O15 | 45.6° | 54.9° |
| H29 | C19 | C20 | H30 | 74.7° | 65.0° |
| H29 | C19 | C20 | H31 | 165.8° | 174.9° |
| O15 | C20 | H30 | H31 | 119.2° | 120.0° |
| H30 | C20 | O15 | H35 | 59.7° | 60.0° |
| H31 | C20 | O15 | H35 | 59.7° | 60.0° |
