PRD_900125
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | O6 | sing | 1.43Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | O2 | sing | 1.43Å | 1.42Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | O3 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | O1 | sing | 1.43Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O4 | sing | 1.43Å | 1.42Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | O5 | doub | 1.21Å | 1.23Å | |
| C7 | N1 | sing | 1.35Å | 1.35Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å | |
| O4 | H12 | sing | 0.97Å | 0.95Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| O6 | H14 | sing | 0.97Å | 0.95Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | O10 | sing | 1.43Å | 1.42Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | O7 | sing | 1.43Å | 1.42Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | O8 | sing | 1.43Å | 1.41Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | O9 | sing | 1.43Å | 1.42Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | O10 | sing | 1.43Å | 1.42Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | O11 | sing | 1.43Å | 1.40Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| O8 | H22 | sing | 0.97Å | 0.95Å | |
| O9 | H23 | sing | 0.97Å | 0.95Å | |
| O11 | H24 | sing | 0.97Å | 0.95Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | O15 | sing | 1.43Å | 1.43Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | O12 | sing | 1.43Å | 1.40Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | O13 | sing | 1.43Å | 1.41Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C18 | O14 | sing | 1.43Å | 1.42Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | O15 | sing | 1.43Å | 1.44Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| O12 | H33 | sing | 0.97Å | 0.95Å | |
| O13 | H34 | sing | 0.97Å | 0.95Å | |
| O14 | H35 | sing | 0.97Å | 0.95Å | |
| O3 | C9 | sing | 1.43Å | 1.44Å | |
| O7 | C15 | sing | 1.43Å | 1.46Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 112.2° | 109.4° |
| C2 | C1 | O6 | 109.5° | 109.5° |
| C2 | C1 | H1 | 107.9° | 109.5° |
| C1 | C2 | C3 | 112.9° | 109.2° |
| C1 | C2 | N1 | 108.2° | 109.5° |
| C1 | C2 | H2 | 107.2° | 109.6° |
| O1 | C1 | O6 | 107.8° | 109.5° |
| O1 | C1 | H1 | 109.6° | 109.5° |
| C1 | O1 | C5 | 117.1° | 114.1° |
| O6 | C1 | H1 | 109.7° | 109.5° |
| C1 | O6 | H14 | 109.5° | 114.0° |
| C3 | C2 | N1 | 113.2° | 109.5° |
| C3 | C2 | H2 | 107.0° | 109.5° |
| C2 | C3 | C4 | 114.0° | 109.0° |
| C2 | C3 | O2 | 112.6° | 109.6° |
| C2 | C3 | H3 | 106.7° | 109.5° |
| N1 | C2 | H2 | 108.1° | 109.6° |
| C2 | N1 | C7 | 124.1° | 120.0° |
| C2 | N1 | H13 | 118.0° | 120.0° |
| C4 | C3 | O2 | 107.9° | 109.6° |
| C4 | C3 | H3 | 107.0° | 109.5° |
| C3 | C4 | C5 | 110.9° | 109.1° |
| C3 | C4 | O3 | 107.8° | 109.5° |
| C3 | C4 | H4 | 108.1° | 109.5° |
| O2 | C3 | H3 | 108.4° | 109.6° |
| C3 | O2 | H11 | 109.5° | 114.0° |
| C5 | C4 | O3 | 112.6° | 109.5° |
| C5 | C4 | H4 | 107.9° | 109.5° |
| C4 | C5 | C6 | 113.1° | 109.4° |
| C4 | C5 | O1 | 113.4° | 109.4° |
| C4 | C5 | H5 | 107.2° | 109.5° |
| O3 | C4 | H4 | 109.4° | 109.6° |
| C4 | O3 | C9 | 114.3° | 114.0° |
| C6 | C5 | O1 | 106.8° | 109.5° |
| C6 | C5 | H5 | 107.4° | 109.4° |
| C5 | C6 | O4 | 108.1° | 109.5° |
| C5 | C6 | H6 | 109.8° | 109.6° |
| C5 | C6 | H7 | 109.8° | 109.5° |
| O1 | C5 | H5 | 108.7° | 109.5° |
| O4 | C6 | H6 | 109.8° | 109.5° |
| O4 | C6 | H7 | 109.8° | 109.4° |
| C6 | O4 | H12 | 109.5° | 114.0° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| C8 | C7 | O5 | 118.9° | 120.0° |
| C8 | C7 | N1 | 117.8° | 120.0° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H9 | 109.5° | 109.4° |
| C7 | C8 | H10 | 109.5° | 109.4° |
| O5 | C7 | N1 | 123.3° | 120.0° |
| C7 | N1 | H13 | 118.0° | 120.1° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H10 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| C10 | C9 | O10 | 112.9° | 109.4° |
| C10 | C9 | H15 | 106.5° | 109.5° |
| C9 | C10 | C11 | 113.3° | 109.1° |
| C9 | C10 | O7 | 111.4° | 109.5° |
| C9 | C10 | H16 | 107.1° | 109.5° |
| C10 | C9 | O3 | 109.1° | 109.5° |
| O10 | C9 | H15 | 107.8° | 109.5° |
| C9 | O10 | C13 | 115.3° | 114.1° |
| O10 | C9 | O3 | 112.7° | 109.5° |
| H15 | C9 | O3 | 107.6° | 109.4° |
| C11 | C10 | O7 | 109.0° | 109.5° |
| C11 | C10 | H16 | 107.2° | 109.5° |
| C10 | C11 | C12 | 109.1° | 109.0° |
| C10 | C11 | O8 | 110.1° | 109.5° |
| C10 | C11 | H17 | 108.6° | 109.5° |
| O7 | C10 | H16 | 108.6° | 109.6° |
| C10 | O7 | C15 | 111.9° | 114.0° |
| C12 | C11 | O8 | 110.0° | 109.6° |
| C12 | C11 | H17 | 108.7° | 109.5° |
| C11 | C12 | C13 | 106.3° | 109.2° |
| C11 | C12 | O9 | 110.4° | 109.5° |
| C11 | C12 | H18 | 108.0° | 109.5° |
| O8 | C11 | H17 | 110.3° | 109.6° |
| C11 | O8 | H22 | 109.5° | 114.0° |
| C13 | C12 | O9 | 114.6° | 109.5° |
| C13 | C12 | H18 | 107.9° | 109.5° |
| C12 | C13 | C14 | 113.4° | 109.5° |
| C12 | C13 | O10 | 111.8° | 109.4° |
| C12 | C13 | H19 | 107.0° | 109.5° |
| O9 | C12 | H18 | 109.3° | 109.5° |
| C12 | O9 | H23 | 109.5° | 114.0° |
| C14 | C13 | O10 | 108.7° | 109.5° |
| C14 | C13 | H19 | 107.3° | 109.5° |
| C13 | C14 | O11 | 105.9° | 109.5° |
| C13 | C14 | H20 | 110.3° | 109.5° |
| C13 | C14 | H21 | 110.4° | 109.5° |
| O10 | C13 | H19 | 108.5° | 109.5° |
| O11 | C14 | H20 | 110.4° | 109.4° |
| O11 | C14 | H21 | 110.3° | 109.4° |
| C14 | O11 | H24 | 109.5° | 114.0° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| C16 | C15 | O15 | 109.5° | 109.4° |
| C16 | C15 | H25 | 107.6° | 109.5° |
| C15 | C16 | C17 | 107.2° | 109.2° |
| C15 | C16 | O12 | 107.2° | 109.5° |
| C15 | C16 | H26 | 109.5° | 109.5° |
| C16 | C15 | O7 | 105.5° | 109.5° |
| O15 | C15 | H25 | 108.7° | 109.4° |
| C15 | O15 | C19 | 114.2° | 114.1° |
| O15 | C15 | O7 | 116.8° | 109.5° |
| H25 | C15 | O7 | 108.3° | 109.5° |
| C17 | C16 | O12 | 112.7° | 109.6° |
| C17 | C16 | H26 | 109.1° | 109.5° |
| C16 | C17 | C18 | 107.3° | 109.1° |
| C16 | C17 | O13 | 114.8° | 109.5° |
| C16 | C17 | H27 | 107.7° | 109.6° |
| O12 | C16 | H26 | 111.1° | 109.5° |
| C16 | O12 | H33 | 109.5° | 114.0° |
| C18 | C17 | O13 | 109.6° | 109.6° |
| C18 | C17 | H27 | 107.9° | 109.6° |
| C17 | C18 | C19 | 108.5° | 109.2° |
| C17 | C18 | O14 | 107.3° | 109.5° |
| C17 | C18 | H28 | 108.7° | 109.6° |
| O13 | C17 | H27 | 109.4° | 109.6° |
| C17 | O13 | H34 | 109.5° | 114.0° |
| C19 | C18 | O14 | 113.8° | 109.5° |
| C19 | C18 | H28 | 108.3° | 109.5° |
| C18 | C19 | C20 | 113.9° | 109.5° |
| C18 | C19 | O15 | 111.2° | 109.4° |
| C18 | C19 | H29 | 105.1° | 109.5° |
| O14 | C18 | H28 | 110.1° | 109.5° |
| C18 | O14 | H35 | 109.5° | 114.0° |
| C20 | C19 | O15 | 114.2° | 109.5° |
| C20 | C19 | H29 | 105.3° | 109.5° |
| C19 | C20 | H30 | 109.5° | 109.5° |
| C19 | C20 | H31 | 109.5° | 109.4° |
| C19 | C20 | H32 | 109.5° | 109.5° |
| O15 | C19 | H29 | 106.3° | 109.4° |
| H30 | C20 | H31 | 109.5° | 109.5° |
| H30 | C20 | H32 | 109.5° | 109.5° |
| H31 | C20 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O6 | 120.7° | 120.0° |
| C2 | C1 | O1 | H1 | 119.9° | 119.9° |
| C2 | C1 | O6 | H1 | 118.3° | 120.0° |
| C1 | C2 | C3 | N1 | 123.4° | 119.9° |
| C1 | C2 | C3 | H2 | 117.7° | 119.9° |
| C1 | C2 | N1 | H2 | 115.8° | 120.2° |
| C1 | C2 | C3 | C4 | 43.3° | 57.0° |
| C1 | C2 | C3 | O2 | 166.5° | 176.9° |
| C1 | C2 | C3 | H3 | 74.6° | 62.9° |
| C2 | C1 | O1 | C5 | 54.1° | 61.2° |
| C1 | C2 | N1 | C7 | 94.3° | 85.0° |
| C1 | C2 | N1 | H13 | 85.7° | 95.0° |
| C2 | C1 | O6 | H14 | 180.0° | 180.0° |
| O1 | C1 | O6 | H1 | 119.3° | 120.0° |
| O1 | C1 | C2 | C3 | 46.3° | 57.6° |
| O1 | C1 | C2 | N1 | 172.4° | 177.5° |
| O1 | C1 | C2 | H2 | 71.3° | 62.3° |
| C1 | O1 | C5 | C4 | 55.9° | 61.2° |
| C1 | O1 | C5 | C6 | 178.9° | 178.9° |
| C1 | O1 | C5 | H5 | 63.3° | 58.8° |
| O1 | C1 | O6 | H14 | 57.6° | 60.0° |
| O6 | C1 | C2 | C3 | 73.4° | 62.4° |
| O6 | C1 | C2 | N1 | 52.7° | 57.5° |
| O6 | C1 | C2 | H2 | 169.0° | 177.7° |
| O6 | C1 | O1 | C5 | 66.6° | 58.8° |
| H1 | C1 | C2 | C3 | 167.2° | 177.6° |
| H1 | C1 | C2 | N1 | 66.7° | 62.5° |
| H1 | C1 | C2 | H2 | 49.6° | 57.7° |
| H1 | C1 | O1 | C5 | 174.0° | 178.9° |
| H1 | C1 | O6 | H14 | 61.7° | 60.0° |
| C3 | C2 | N1 | H2 | 118.3° | 120.1° |
| C2 | C3 | C4 | O2 | 125.8° | 119.9° |
| C2 | C3 | C4 | H3 | 117.7° | 119.8° |
| C2 | C3 | O2 | H3 | 117.8° | 120.2° |
| C2 | C3 | C4 | C5 | 43.4° | 56.9° |
| C2 | C3 | C4 | O3 | 167.1° | 176.9° |
| C2 | C3 | C4 | H4 | 74.7° | 62.9° |
| C3 | C2 | N1 | C7 | 139.7° | 155.3° |
| C2 | C3 | O2 | H11 | 180.0° | 60.0° |
| C3 | C2 | N1 | H13 | 40.3° | 24.7° |
| N1 | C2 | C3 | C4 | 166.6° | 176.9° |
| N1 | C2 | C3 | O2 | 70.1° | 63.2° |
| N1 | C2 | C3 | H3 | 48.7° | 57.0° |
| C2 | N1 | C7 | C8 | 168.4° | 180.0° |
| C2 | N1 | C7 | O5 | 11.3° | 0.1° |
| C2 | N1 | C7 | H13 | 180.0° | 179.9° |
| H2 | C2 | C3 | C4 | 74.4° | 63.0° |
| H2 | C2 | C3 | O2 | 48.8° | 56.9° |
| H2 | C2 | C3 | H3 | 167.7° | 177.2° |
| H2 | C2 | N1 | C7 | 21.4° | 35.2° |
| H2 | C2 | N1 | H13 | 158.6° | 144.8° |
| C4 | C3 | O2 | H3 | 115.6° | 120.2° |
| C3 | C4 | C5 | O3 | 120.9° | 119.9° |
| C3 | C4 | C5 | H4 | 118.2° | 119.9° |
| C3 | C4 | O3 | H4 | 117.4° | 120.2° |
| C3 | C4 | C5 | C6 | 170.2° | 177.6° |
| C3 | C4 | C5 | O1 | 48.4° | 57.6° |
| C3 | C4 | C5 | H5 | 71.6° | 62.5° |
| C4 | C3 | O2 | H11 | 53.4° | 179.6° |
| C3 | C4 | O3 | C9 | 137.9° | 134.0° |
| O2 | C3 | C4 | C5 | 169.2° | 176.8° |
| O2 | C3 | C4 | O3 | 67.1° | 63.3° |
| O2 | C3 | C4 | H4 | 51.1° | 57.0° |
| H3 | C3 | C4 | C5 | 74.3° | 62.9° |
| H3 | C3 | C4 | O3 | 49.4° | 57.0° |
| H3 | C3 | C4 | H4 | 167.6° | 177.2° |
| H3 | C3 | O2 | H11 | 62.2° | 60.2° |
| C5 | C4 | O3 | H4 | 120.0° | 120.2° |
| C4 | C5 | C6 | O1 | 125.5° | 120.0° |
| C4 | C5 | C6 | H5 | 118.1° | 120.0° |
| C4 | C5 | O1 | H5 | 119.1° | 120.0° |
| C4 | C5 | C6 | O4 | 123.9° | 174.5° |
| C4 | C5 | C6 | H6 | 4.1° | 54.5° |
| C4 | C5 | C6 | H7 | 116.3° | 65.5° |
| C5 | C4 | O3 | C9 | 99.4° | 106.4° |
| O3 | C4 | C5 | C6 | 68.9° | 62.5° |
| O3 | C4 | C5 | O1 | 169.3° | 177.5° |
| O3 | C4 | C5 | H5 | 49.3° | 57.5° |
| C4 | O3 | C9 | C10 | 173.2° | 175.0° |
| C4 | O3 | C9 | O10 | 60.7° | 65.0° |
| C4 | O3 | C9 | H15 | 58.1° | 55.0° |
| H4 | C4 | C5 | C6 | 52.0° | 57.7° |
| H4 | C4 | C5 | O1 | 69.8° | 62.3° |
| H4 | C4 | C5 | H5 | 170.2° | 177.7° |
| H4 | C4 | O3 | C9 | 20.6° | 13.8° |
| C6 | C5 | O1 | H5 | 115.6° | 120.0° |
| C5 | C6 | O4 | H6 | 119.8° | 120.1° |
| C5 | C6 | O4 | H7 | 119.8° | 120.0° |
| C5 | C6 | H6 | H7 | 120.6° | 120.0° |
| C5 | C6 | O4 | H12 | 180.0° | 180.0° |
| O1 | C5 | C6 | O4 | 110.7° | 65.5° |
| O1 | C5 | C6 | H6 | 129.6° | 174.4° |
| O1 | C5 | C6 | H7 | 9.1° | 54.4° |
| H5 | C5 | C6 | O4 | 5.8° | 54.6° |
| H5 | C5 | C6 | H6 | 114.0° | 65.5° |
| H5 | C5 | C6 | H7 | 125.6° | 174.5° |
| O4 | C6 | H6 | H7 | 120.6° | 119.9° |
| H6 | C6 | O4 | H12 | 60.2° | 59.9° |
| H7 | C6 | O4 | H12 | 60.2° | 60.0° |
| C8 | C7 | O5 | N1 | 179.7° | 179.9° |
| C7 | C8 | H8 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H10 | 120.0° | 120.0° |
| C7 | C8 | H9 | H10 | 120.0° | 119.9° |
| C8 | C7 | N1 | H13 | 11.6° | 0.1° |
| O5 | C7 | C8 | H8 | 0.0° | 0.0° |
| O5 | C7 | C8 | H9 | 120.0° | 120.0° |
| O5 | C7 | C8 | H10 | 120.0° | 120.0° |
| O5 | C7 | N1 | H13 | 168.7° | 180.0° |
| N1 | C7 | C8 | H8 | 179.7° | 180.0° |
| N1 | C7 | C8 | H9 | 60.3° | 60.0° |
| N1 | C7 | C8 | H10 | 59.7° | 60.0° |
| H8 | C8 | H9 | H10 | 120.0° | 120.0° |
| C10 | C9 | O10 | H15 | 117.3° | 120.0° |
| C10 | C9 | O10 | O3 | 124.1° | 120.0° |
| C10 | C9 | H15 | O3 | 116.9° | 120.0° |
| C9 | C10 | C11 | O7 | 124.7° | 119.9° |
| C9 | C10 | C11 | H16 | 117.9° | 119.9° |
| C9 | C10 | O7 | H16 | 117.7° | 120.2° |
| C9 | C10 | C11 | C12 | 51.7° | 56.9° |
| C9 | C10 | C11 | O8 | 172.5° | 176.9° |
| C9 | C10 | C11 | H17 | 66.6° | 62.9° |
| C10 | C9 | O10 | C13 | 47.2° | 61.2° |
| C9 | C10 | O7 | C15 | 119.5° | 147.9° |
| O10 | C9 | H15 | O3 | 121.8° | 120.0° |
| O10 | C9 | C10 | C11 | 44.0° | 57.6° |
| O10 | C9 | C10 | O7 | 167.4° | 177.5° |
| O10 | C9 | C10 | H16 | 74.0° | 62.3° |
| C9 | O10 | C13 | C12 | 58.4° | 61.1° |
| C9 | O10 | C13 | C14 | 175.7° | 178.9° |
| C9 | O10 | C13 | H19 | 59.4° | 58.8° |
| H15 | C9 | C10 | C11 | 74.0° | 62.4° |
| H15 | C9 | C10 | O7 | 49.3° | 57.5° |
| H15 | C9 | C10 | H16 | 167.9° | 177.7° |
| H15 | C9 | O10 | C13 | 70.1° | 58.9° |
| C11 | C10 | O7 | H16 | 116.5° | 120.1° |
| C10 | C11 | C12 | O8 | 120.9° | 119.9° |
| C10 | C11 | C12 | H17 | 118.3° | 119.8° |
| C10 | C11 | O8 | H17 | 119.8° | 120.2° |
| C10 | C11 | C12 | C13 | 59.1° | 57.0° |
| C10 | C11 | C12 | O9 | 65.8° | 63.0° |
| C10 | C11 | C12 | H18 | 174.7° | 176.9° |
| C10 | C11 | O8 | H22 | 180.0° | 180.0° |
| C11 | C10 | C9 | O3 | 170.1° | 177.6° |
| C11 | C10 | O7 | C15 | 114.7° | 92.5° |
| O7 | C10 | C11 | C12 | 176.4° | 176.8° |
| O7 | C10 | C11 | O8 | 62.8° | 63.2° |
| O7 | C10 | C11 | H17 | 58.0° | 57.0° |
| C10 | O7 | C15 | C16 | 153.9° | 174.5° |
| C10 | O7 | C15 | O15 | 84.2° | 65.6° |
| C10 | O7 | C15 | H25 | 38.9° | 54.4° |
| O7 | C10 | C9 | O3 | 66.5° | 62.5° |
| H16 | C10 | C11 | C12 | 66.2° | 62.9° |
| H16 | C10 | C11 | O8 | 54.6° | 57.0° |
| H16 | C10 | C11 | H17 | 175.4° | 177.2° |
| H16 | C10 | C9 | O3 | 52.1° | 57.7° |
| H16 | C10 | O7 | C15 | 1.8° | 27.7° |
| C12 | C11 | O8 | H17 | 119.9° | 120.2° |
| C11 | C12 | C13 | O9 | 122.2° | 119.9° |
| C11 | C12 | C13 | H18 | 115.7° | 119.9° |
| C11 | C12 | O9 | H18 | 118.7° | 120.1° |
| C11 | C12 | C13 | C14 | 173.4° | 177.6° |
| C11 | C12 | C13 | O10 | 63.3° | 57.6° |
| C11 | C12 | C13 | H19 | 55.3° | 62.4° |
| C12 | C11 | O8 | H22 | 59.7° | 60.4° |
| C11 | C12 | O9 | H23 | 180.0° | 180.0° |
| O8 | C11 | C12 | C13 | 180.0° | 176.9° |
| O8 | C11 | C12 | O9 | 55.1° | 56.9° |
| O8 | C11 | C12 | H18 | 64.3° | 63.2° |
| H17 | C11 | C12 | C13 | 59.1° | 62.8° |
| H17 | C11 | C12 | O9 | 176.0° | 177.2° |
| H17 | C11 | C12 | H18 | 56.5° | 57.1° |
| H17 | C11 | O8 | H22 | 60.2° | 59.9° |
| C13 | C12 | O9 | H18 | 121.3° | 120.1° |
| C12 | C13 | C14 | O10 | 125.0° | 119.9° |
| C12 | C13 | C14 | H19 | 117.9° | 120.0° |
| C12 | C13 | O10 | H19 | 117.8° | 120.0° |
| C12 | C13 | C14 | O11 | 176.0° | 175.0° |
| C12 | C13 | C14 | H20 | 64.6° | 55.1° |
| C12 | C13 | C14 | H21 | 56.6° | 65.0° |
| C13 | C12 | O9 | H23 | 60.0° | 60.3° |
| O9 | C12 | C13 | C14 | 64.4° | 57.7° |
| O9 | C12 | C13 | O10 | 58.9° | 62.3° |
| O9 | C12 | C13 | H19 | 177.6° | 177.7° |
| H18 | C12 | C13 | C14 | 57.7° | 62.5° |
| H18 | C12 | C13 | O10 | 179.0° | 177.5° |
| H18 | C12 | C13 | H19 | 60.4° | 57.6° |
| H18 | C12 | O9 | H23 | 61.3° | 59.9° |
| C14 | C13 | O10 | H19 | 116.3° | 120.0° |
| C13 | C14 | O11 | H20 | 119.4° | 120.0° |
| C13 | C14 | O11 | H21 | 119.4° | 120.0° |
| C13 | C14 | H20 | H21 | 121.7° | 120.1° |
| C13 | C14 | O11 | H24 | 180.0° | 180.0° |
| O10 | C13 | C14 | O11 | 51.0° | 65.1° |
| O10 | C13 | C14 | H20 | 170.4° | 175.0° |
| O10 | C13 | C14 | H21 | 68.4° | 54.9° |
| C13 | O10 | C9 | O3 | 171.3° | 178.9° |
| H19 | C13 | C14 | O11 | 66.1° | 55.0° |
| H19 | C13 | C14 | H20 | 53.3° | 65.0° |
| H19 | C13 | C14 | H21 | 174.5° | 175.0° |
| O11 | C14 | H20 | H21 | 121.7° | 119.9° |
| H20 | C14 | O11 | H24 | 60.6° | 60.0° |
| H21 | C14 | O11 | H24 | 60.6° | 60.0° |
| C16 | C15 | O15 | H25 | 117.3° | 120.0° |
| C16 | C15 | O15 | O7 | 119.8° | 120.0° |
| C16 | C15 | H25 | O7 | 113.6° | 120.1° |
| C15 | C16 | C17 | O12 | 117.7° | 119.9° |
| C15 | C16 | C17 | H26 | 118.4° | 119.9° |
| C15 | C16 | O12 | H26 | 119.5° | 120.1° |
| C15 | C16 | C17 | C18 | 63.9° | 57.0° |
| C15 | C16 | C17 | O13 | 174.1° | 176.9° |
| C15 | C16 | C17 | H27 | 52.0° | 62.9° |
| C16 | C15 | O15 | C19 | 60.1° | 61.1° |
| C15 | C16 | O12 | H33 | 180.0° | 60.0° |
| O15 | C15 | H25 | O7 | 127.9° | 120.0° |
| O15 | C15 | C16 | C17 | 63.1° | 57.6° |
| O15 | C15 | C16 | O12 | 175.6° | 177.5° |
| O15 | C15 | C16 | H26 | 55.0° | 62.3° |
| C15 | O15 | C19 | C18 | 55.3° | 61.1° |
| C15 | O15 | C19 | C20 | 174.1° | 178.9° |
| C15 | O15 | C19 | H29 | 58.5° | 58.8° |
| H25 | C15 | C16 | C17 | 178.8° | 177.6° |
| H25 | C15 | C16 | O12 | 57.5° | 62.5° |
| H25 | C15 | C16 | H26 | 63.0° | 57.6° |
| H25 | C15 | O15 | C19 | 177.4° | 178.9° |
| C17 | C16 | O12 | H26 | 122.7° | 120.2° |
| C16 | C17 | C18 | O13 | 125.2° | 119.9° |
| C16 | C17 | C18 | H27 | 115.8° | 119.9° |
| C16 | C17 | O13 | H27 | 121.1° | 120.2° |
| C16 | C17 | C18 | C19 | 59.2° | 57.0° |
| C16 | C17 | C18 | O14 | 64.2° | 62.9° |
| C16 | C17 | C18 | H28 | 176.7° | 176.9° |
| C17 | C16 | O12 | H33 | 62.3° | 179.7° |
| C16 | C17 | O13 | H34 | 180.0° | 59.9° |
| C17 | C16 | C15 | O7 | 63.3° | 62.4° |
| O12 | C16 | C17 | C18 | 178.3° | 176.9° |
| O12 | C16 | C17 | O13 | 56.3° | 63.2° |
| O12 | C16 | C17 | H27 | 65.7° | 57.0° |
| O12 | C16 | C15 | O7 | 57.9° | 57.6° |
| H26 | C16 | C17 | C18 | 54.5° | 62.9° |
| H26 | C16 | C17 | O13 | 67.5° | 57.0° |
| H26 | C16 | C17 | H27 | 170.4° | 177.2° |
| H26 | C16 | O12 | H33 | 60.5° | 60.1° |
| H26 | C16 | C15 | O7 | 178.5° | 177.7° |
| C18 | C17 | O13 | H27 | 118.1° | 120.2° |
| C17 | C18 | C19 | O14 | 119.4° | 119.9° |
| C17 | C18 | C19 | H28 | 117.8° | 120.0° |
| C17 | C18 | O14 | H28 | 118.1° | 120.2° |
| C17 | C18 | C19 | C20 | 175.0° | 177.6° |
| C17 | C18 | C19 | O15 | 54.4° | 57.6° |
| C17 | C18 | C19 | H29 | 60.2° | 62.4° |
| C18 | C17 | O13 | H34 | 59.2° | 179.5° |
| C17 | C18 | O14 | H35 | 180.0° | 179.9° |
| O13 | C17 | C18 | C19 | 175.7° | 176.9° |
| O13 | C17 | C18 | O14 | 61.0° | 56.9° |
| O13 | C17 | C18 | H28 | 58.1° | 63.2° |
| H27 | C17 | C18 | C19 | 56.6° | 62.9° |
| H27 | C17 | C18 | O14 | 180.0° | 177.1° |
| H27 | C17 | C18 | H28 | 61.0° | 57.0° |
| H27 | C17 | O13 | H34 | 58.9° | 60.3° |
| C19 | C18 | O14 | H28 | 121.8° | 120.1° |
| C18 | C19 | C20 | O15 | 129.2° | 120.0° |
| C18 | C19 | C20 | H29 | 114.6° | 120.0° |
| C18 | C19 | O15 | H29 | 113.9° | 119.9° |
| C18 | C19 | C20 | H30 | 180.0° | 59.2° |
| C18 | C19 | C20 | H31 | 60.0° | 179.2° |
| C18 | C19 | C20 | H32 | 60.0° | 60.8° |
| C19 | C18 | O14 | H35 | 59.9° | 60.2° |
| O14 | C18 | C19 | C20 | 65.7° | 57.7° |
| O14 | C18 | C19 | O15 | 65.0° | 62.3° |
| O14 | C18 | C19 | H29 | 179.6° | 177.7° |
| H28 | C18 | C19 | C20 | 57.1° | 62.5° |
| H28 | C18 | C19 | O15 | 172.2° | 177.5° |
| H28 | C18 | C19 | H29 | 57.6° | 57.6° |
| H28 | C18 | O14 | H35 | 61.9° | 59.9° |
| C20 | C19 | O15 | H29 | 115.6° | 120.0° |
| C19 | C20 | H30 | H31 | 120.0° | 120.0° |
| C19 | C20 | H30 | H32 | 120.0° | 120.0° |
| C19 | C20 | H31 | H32 | 120.0° | 120.0° |
| O15 | C19 | C20 | H30 | 50.8° | 179.1° |
| O15 | C19 | C20 | H31 | 69.2° | 60.9° |
| O15 | C19 | C20 | H32 | 170.8° | 59.1° |
| C19 | O15 | C15 | O7 | 59.7° | 58.9° |
| H29 | C19 | C20 | H30 | 65.4° | 60.9° |
| H29 | C19 | C20 | H31 | 174.6° | 59.1° |
| H29 | C19 | C20 | H32 | 54.6° | 179.1° |
| H30 | C20 | H31 | H32 | 120.0° | 120.0° |
