PRD_900129
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C1 | O4 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | N1 | sing | 1.46Å | 1.47Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | O2 | sing | 1.43Å | 1.43Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O3 | sing | 1.43Å | 1.41Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | O4 | sing | 1.43Å | 1.41Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O5 | sing | 1.43Å | 1.40Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | N1 | sing | 1.35Å | 1.37Å | |
| C7 | O6 | doub | 1.21Å | 1.25Å | |
| 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 | 1.40Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | O7 | sing | 1.43Å | 1.42Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | O8 | sing | 1.43Å | 1.41Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | O9 | sing | 1.43Å | 1.38Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | O10 | sing | 1.43Å | 1.41Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | O11 | sing | 1.43Å | 1.44Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| O7 | H21 | sing | 0.97Å | 0.95Å | |
| 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 | 1.50Å | |
| C15 | O15 | sing | 1.43Å | 1.43Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.57Å | |
| C16 | O12 | sing | 1.43Å | 1.42Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | O13 | sing | 1.43Å | 1.42Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | O14 | sing | 1.43Å | 1.47Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C19 | O15 | sing | 1.43Å | 1.46Å | |
| 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 | |
| O2 | C9 | sing | 1.43Å | 1.60Å | |
| O3 | C15 | sing | 1.43Å | 1.60Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 118.9° | 109.5° |
| C2 | C1 | O4 | 109.7° | 109.4° |
| C2 | C1 | H1 | 105.3° | 109.4° |
| C1 | C2 | C3 | 107.1° | 109.2° |
| C1 | C2 | N1 | 109.6° | 109.5° |
| C1 | C2 | H2 | 109.0° | 109.5° |
| O1 | C1 | O4 | 108.7° | 109.5° |
| O1 | C1 | H1 | 106.7° | 109.5° |
| C1 | O1 | H12 | 109.5° | 114.0° |
| O4 | C1 | H1 | 106.8° | 109.5° |
| C1 | O4 | C5 | 111.2° | 114.1° |
| C3 | C2 | N1 | 111.6° | 109.6° |
| C3 | C2 | H2 | 109.2° | 109.5° |
| C2 | C3 | C4 | 111.1° | 109.0° |
| C2 | C3 | O2 | 116.0° | 109.5° |
| C2 | C3 | H3 | 107.3° | 109.5° |
| N1 | C2 | H2 | 110.2° | 109.5° |
| C2 | N1 | C7 | 129.0° | 120.1° |
| C2 | N1 | H11 | 115.5° | 120.0° |
| C4 | C3 | O2 | 105.9° | 109.5° |
| C4 | C3 | H3 | 107.5° | 109.6° |
| C3 | C4 | C5 | 113.7° | 109.2° |
| C3 | C4 | O3 | 111.1° | 109.5° |
| C3 | C4 | H4 | 106.8° | 109.6° |
| O2 | C3 | H3 | 108.9° | 109.7° |
| C3 | O2 | C9 | 115.3° | 114.0° |
| C5 | C4 | O3 | 109.8° | 109.5° |
| C5 | C4 | H4 | 106.8° | 109.5° |
| C4 | C5 | C6 | 112.2° | 109.5° |
| C4 | C5 | O4 | 107.7° | 109.4° |
| C4 | C5 | H5 | 109.7° | 109.5° |
| O3 | C4 | H4 | 108.3° | 109.6° |
| C4 | O3 | C15 | 125.1° | 114.0° |
| C6 | C5 | O4 | 105.6° | 109.5° |
| C6 | C5 | H5 | 110.0° | 109.4° |
| C5 | C6 | O5 | 100.3° | 109.4° |
| C5 | C6 | H6 | 111.7° | 109.4° |
| C5 | C6 | H7 | 111.7° | 109.4° |
| O4 | C5 | H5 | 111.5° | 109.5° |
| O5 | C6 | H6 | 111.7° | 109.5° |
| O5 | C6 | H7 | 111.7° | 109.5° |
| C6 | O5 | H13 | 109.5° | 113.9° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| C8 | C7 | N1 | 116.2° | 120.0° |
| C8 | C7 | O6 | 119.0° | 120.0° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H9 | 109.4° | 109.5° |
| C7 | C8 | H10 | 109.5° | 109.4° |
| N1 | C7 | O6 | 124.8° | 120.0° |
| C7 | N1 | H11 | 115.5° | 120.0° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H10 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| C10 | C9 | O10 | 114.4° | 109.4° |
| C10 | C9 | H14 | 110.6° | 109.5° |
| C9 | C10 | C11 | 107.0° | 109.2° |
| C9 | C10 | O7 | 101.3° | 109.5° |
| C9 | C10 | H15 | 111.6° | 109.5° |
| C10 | C9 | O2 | 106.6° | 109.5° |
| O10 | C9 | H14 | 112.7° | 109.5° |
| C9 | O10 | C13 | 111.4° | 114.1° |
| O10 | C9 | O2 | 102.2° | 109.5° |
| H14 | C9 | O2 | 109.7° | 109.5° |
| C11 | C10 | O7 | 111.0° | 109.5° |
| C11 | C10 | H15 | 111.9° | 109.5° |
| C10 | C11 | C12 | 109.0° | 109.0° |
| C10 | C11 | O8 | 109.8° | 109.5° |
| C10 | C11 | H16 | 109.1° | 109.5° |
| O7 | C10 | H15 | 113.4° | 109.6° |
| C10 | O7 | H21 | 109.5° | 113.9° |
| C12 | C11 | O8 | 109.6° | 109.6° |
| C12 | C11 | H16 | 108.7° | 109.5° |
| C11 | C12 | C13 | 111.5° | 109.1° |
| C11 | C12 | O9 | 107.0° | 109.5° |
| C11 | C12 | H17 | 108.2° | 109.5° |
| O8 | C11 | H16 | 110.6° | 109.6° |
| C11 | O8 | H22 | 109.5° | 114.0° |
| C13 | C12 | O9 | 111.4° | 109.6° |
| C13 | C12 | H17 | 108.3° | 109.6° |
| C12 | C13 | C14 | 114.4° | 109.4° |
| C12 | C13 | O10 | 112.3° | 109.4° |
| C12 | C13 | H18 | 106.3° | 109.5° |
| O9 | C12 | H17 | 110.4° | 109.6° |
| C12 | O9 | H23 | 109.5° | 114.0° |
| C14 | C13 | O10 | 109.2° | 109.5° |
| C14 | C13 | H18 | 106.3° | 109.5° |
| C13 | C14 | O11 | 108.6° | 109.4° |
| C13 | C14 | H19 | 109.7° | 109.5° |
| C13 | C14 | H20 | 109.7° | 109.4° |
| O10 | C13 | H18 | 107.8° | 109.5° |
| O11 | C14 | H19 | 109.7° | 109.5° |
| O11 | C14 | H20 | 109.7° | 109.5° |
| C14 | O11 | H24 | 109.5° | 113.9° |
| H19 | C14 | H20 | 109.4° | 109.5° |
| C16 | C15 | O15 | 111.9° | 109.4° |
| C16 | C15 | H25 | 109.6° | 109.5° |
| C15 | C16 | C17 | 108.9° | 109.2° |
| C15 | C16 | O12 | 109.5° | 109.5° |
| C15 | C16 | H26 | 108.6° | 109.5° |
| C16 | C15 | O3 | 114.0° | 109.5° |
| O15 | C15 | H25 | 110.6° | 109.5° |
| C15 | O15 | C19 | 117.4° | 114.1° |
| O15 | C15 | O3 | 102.3° | 109.5° |
| H25 | C15 | O3 | 108.3° | 109.5° |
| C17 | C16 | O12 | 112.4° | 109.5° |
| C17 | C16 | H26 | 107.7° | 109.5° |
| C16 | C17 | C18 | 107.9° | 109.0° |
| C16 | C17 | O13 | 108.5° | 109.5° |
| C16 | C17 | H27 | 108.7° | 109.5° |
| O12 | C16 | H26 | 109.6° | 109.6° |
| C16 | O12 | H33 | 109.5° | 114.0° |
| C18 | C17 | O13 | 111.6° | 109.6° |
| C18 | C17 | H27 | 109.4° | 109.6° |
| C17 | C18 | C19 | 107.7° | 109.2° |
| C17 | C18 | O14 | 110.3° | 109.5° |
| C17 | C18 | H28 | 108.4° | 109.5° |
| O13 | C17 | H27 | 110.7° | 109.6° |
| C17 | O13 | H34 | 109.5° | 114.0° |
| C19 | C18 | O14 | 113.4° | 109.5° |
| C19 | C18 | H28 | 108.0° | 109.5° |
| C18 | C19 | C20 | 114.9° | 109.5° |
| C18 | C19 | O15 | 113.9° | 109.4° |
| C18 | C19 | H29 | 106.5° | 109.6° |
| O14 | C18 | H28 | 109.0° | 109.6° |
| C18 | O14 | H35 | 109.5° | 114.0° |
| C20 | C19 | O15 | 106.6° | 109.4° |
| C20 | C19 | H29 | 107.0° | 109.5° |
| C19 | C20 | H30 | 109.5° | 109.4° |
| C19 | C20 | H31 | 109.5° | 109.5° |
| C19 | C20 | H32 | 109.5° | 109.5° |
| O15 | C19 | H29 | 107.6° | 109.5° |
| 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 | O4 | 126.5° | 120.0° |
| C2 | C1 | O1 | H1 | 118.7° | 120.0° |
| C2 | C1 | O4 | H1 | 113.6° | 119.9° |
| C1 | C2 | C3 | N1 | 120.0° | 119.9° |
| C1 | C2 | C3 | H2 | 117.9° | 119.9° |
| C1 | C2 | N1 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 48.1° | 57.0° |
| C1 | C2 | C3 | O2 | 169.0° | 176.8° |
| C1 | C2 | C3 | H3 | 69.1° | 62.9° |
| C2 | C1 | O4 | C5 | 70.5° | 61.1° |
| C1 | C2 | N1 | C7 | 66.1° | 85.0° |
| C1 | C2 | N1 | H11 | 113.9° | 95.1° |
| C2 | C1 | O1 | H12 | 180.0° | 180.0° |
| O1 | C1 | O4 | H1 | 114.8° | 120.1° |
| O1 | C1 | C2 | C3 | 175.2° | 177.6° |
| O1 | C1 | C2 | N1 | 54.0° | 62.4° |
| O1 | C1 | C2 | H2 | 66.7° | 57.6° |
| O1 | C1 | O4 | C5 | 157.9° | 178.9° |
| O4 | C1 | C2 | C3 | 58.8° | 57.5° |
| O4 | C1 | C2 | N1 | 180.0° | 177.5° |
| O4 | C1 | C2 | H2 | 59.2° | 62.4° |
| C1 | O4 | C5 | C4 | 65.6° | 61.1° |
| C1 | O4 | C5 | C6 | 174.3° | 178.9° |
| C1 | O4 | C5 | H5 | 54.9° | 58.9° |
| O4 | C1 | O1 | H12 | 53.5° | 60.1° |
| H1 | C1 | C2 | C3 | 55.8° | 62.4° |
| H1 | C1 | C2 | N1 | 65.4° | 57.6° |
| H1 | C1 | C2 | H2 | 173.8° | 177.7° |
| H1 | C1 | O4 | C5 | 43.1° | 58.8° |
| H1 | C1 | O1 | H12 | 61.3° | 60.0° |
| C3 | C2 | N1 | H2 | 121.5° | 120.2° |
| C2 | C3 | C4 | O2 | 126.7° | 119.9° |
| C2 | C3 | C4 | H3 | 117.1° | 119.8° |
| C2 | C3 | O2 | H3 | 121.0° | 120.2° |
| C2 | C3 | C4 | C5 | 48.2° | 57.0° |
| C2 | C3 | C4 | O3 | 172.7° | 176.8° |
| C2 | C3 | C4 | H4 | 69.4° | 62.9° |
| C3 | C2 | N1 | C7 | 52.4° | 155.3° |
| C3 | C2 | N1 | H11 | 127.6° | 24.7° |
| C2 | C3 | O2 | C9 | 100.8° | 90.0° |
| N1 | C2 | C3 | C4 | 168.1° | 176.9° |
| N1 | C2 | C3 | O2 | 71.0° | 63.2° |
| N1 | C2 | C3 | H3 | 50.9° | 57.0° |
| C2 | N1 | C7 | C8 | 178.1° | 180.0° |
| C2 | N1 | C7 | H11 | 180.0° | 180.0° |
| C2 | N1 | C7 | O6 | 4.2° | 0.1° |
| H2 | C2 | C3 | C4 | 69.8° | 62.9° |
| H2 | C2 | C3 | O2 | 51.1° | 56.9° |
| H2 | C2 | C3 | H3 | 173.0° | 177.2° |
| H2 | C2 | N1 | C7 | 174.0° | 35.1° |
| H2 | C2 | N1 | H11 | 6.1° | 144.9° |
| C4 | C3 | O2 | H3 | 115.3° | 120.3° |
| C3 | C4 | C5 | O3 | 125.2° | 119.9° |
| C3 | C4 | C5 | H4 | 117.5° | 120.0° |
| C3 | C4 | O3 | H4 | 117.0° | 120.2° |
| C3 | C4 | C5 | C6 | 170.3° | 177.6° |
| C3 | C4 | C5 | O4 | 54.5° | 57.6° |
| C3 | C4 | C5 | H5 | 67.1° | 62.4° |
| C4 | C3 | O2 | C9 | 135.5° | 150.4° |
| C3 | C4 | O3 | C15 | 93.7° | 141.1° |
| O2 | C3 | C4 | C5 | 174.9° | 176.8° |
| O2 | C3 | C4 | O3 | 60.6° | 63.3° |
| O2 | C3 | C4 | H4 | 57.3° | 56.9° |
| C3 | O2 | C9 | C10 | 156.5° | 175.0° |
| C3 | O2 | C9 | O10 | 83.2° | 65.0° |
| C3 | O2 | C9 | H14 | 36.7° | 55.0° |
| H3 | C3 | C4 | C5 | 68.9° | 62.8° |
| H3 | C3 | C4 | O3 | 55.6° | 57.0° |
| H3 | C3 | C4 | H4 | 173.5° | 177.3° |
| H3 | C3 | O2 | C9 | 20.2° | 30.2° |
| C5 | C4 | O3 | H4 | 116.3° | 120.1° |
| C4 | C5 | C6 | O4 | 117.1° | 120.0° |
| C4 | C5 | C6 | H5 | 122.5° | 120.0° |
| C4 | C5 | O4 | H5 | 120.5° | 120.1° |
| C4 | C5 | C6 | O5 | 154.2° | 174.1° |
| C4 | C5 | C6 | H6 | 35.7° | 54.1° |
| C4 | C5 | C6 | H7 | 87.3° | 65.9° |
| C5 | C4 | O3 | C15 | 139.6° | 99.2° |
| O3 | C4 | C5 | C6 | 64.5° | 62.5° |
| O3 | C4 | C5 | O4 | 179.7° | 177.5° |
| O3 | C4 | C5 | H5 | 58.2° | 57.5° |
| C4 | O3 | C15 | C16 | 84.8° | 170.7° |
| C4 | O3 | C15 | O15 | 154.2° | 69.4° |
| C4 | O3 | C15 | H25 | 37.4° | 50.7° |
| H4 | C4 | C5 | C6 | 52.8° | 57.7° |
| H4 | C4 | C5 | O4 | 63.0° | 62.3° |
| H4 | C4 | C5 | H5 | 175.4° | 177.6° |
| H4 | C4 | O3 | C15 | 23.3° | 20.9° |
| C6 | C5 | O4 | H5 | 119.5° | 120.0° |
| C5 | C6 | O5 | H6 | 118.5° | 120.0° |
| C5 | C6 | O5 | H7 | 118.5° | 120.0° |
| C5 | C6 | H6 | H7 | 124.3° | 120.0° |
| C5 | C6 | O5 | H13 | 180.0° | 180.0° |
| O4 | C5 | C6 | O5 | 88.7° | 66.0° |
| O4 | C5 | C6 | H6 | 152.8° | 174.0° |
| O4 | C5 | C6 | H7 | 29.8° | 54.0° |
| H5 | C5 | C6 | O5 | 31.8° | 54.0° |
| H5 | C5 | C6 | H6 | 86.7° | 66.0° |
| H5 | C5 | C6 | H7 | 150.3° | 174.0° |
| O5 | C6 | H6 | H7 | 124.3° | 120.1° |
| H6 | C6 | O5 | H13 | 61.5° | 60.0° |
| H7 | C6 | O5 | H13 | 61.5° | 60.0° |
| C8 | C7 | N1 | O6 | 177.7° | 179.9° |
| C7 | C8 | H8 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H10 | 120.0° | 120.0° |
| C7 | C8 | H9 | H10 | 120.0° | 120.0° |
| C8 | C7 | N1 | H11 | 1.9° | 0.1° |
| N1 | C7 | C8 | H8 | 177.9° | 60.0° |
| N1 | C7 | C8 | H9 | 62.1° | 180.0° |
| N1 | C7 | C8 | H10 | 57.9° | 60.0° |
| O6 | C7 | C8 | H8 | 0.0° | 119.9° |
| O6 | C7 | C8 | H9 | 120.0° | 0.1° |
| O6 | C7 | C8 | H10 | 120.0° | 120.1° |
| O6 | C7 | N1 | H11 | 175.9° | 180.0° |
| H8 | C8 | H9 | H10 | 120.0° | 120.0° |
| C10 | C9 | O10 | H14 | 127.5° | 119.9° |
| C10 | C9 | O10 | O2 | 114.8° | 120.0° |
| C10 | C9 | H14 | O2 | 117.3° | 120.0° |
| C9 | C10 | C11 | O7 | 109.7° | 119.9° |
| C9 | C10 | C11 | H15 | 122.5° | 119.9° |
| C9 | C10 | O7 | H15 | 119.7° | 120.1° |
| C9 | C10 | C11 | C12 | 54.4° | 57.0° |
| C9 | C10 | C11 | O8 | 174.4° | 176.8° |
| C9 | C10 | C11 | H16 | 64.2° | 62.9° |
| C10 | C9 | O10 | C13 | 61.1° | 61.1° |
| C9 | C10 | O7 | H21 | 180.0° | 60.0° |
| O10 | C9 | H14 | O2 | 113.2° | 120.1° |
| O10 | C9 | C10 | C11 | 60.7° | 57.6° |
| O10 | C9 | C10 | O7 | 177.0° | 177.4° |
| O10 | C9 | C10 | H15 | 62.0° | 62.3° |
| C9 | O10 | C13 | C12 | 55.3° | 61.2° |
| C9 | O10 | C13 | C14 | 176.7° | 178.9° |
| C9 | O10 | C13 | H18 | 61.5° | 58.8° |
| H14 | C9 | C10 | C11 | 67.8° | 62.4° |
| H14 | C9 | C10 | O7 | 48.4° | 57.5° |
| H14 | C9 | C10 | H15 | 169.4° | 177.7° |
| H14 | C9 | O10 | C13 | 66.4° | 58.8° |
| C11 | C10 | O7 | H15 | 127.0° | 120.2° |
| C10 | C11 | C12 | O8 | 120.2° | 119.9° |
| C10 | C11 | C12 | H16 | 118.8° | 119.9° |
| C10 | C11 | O8 | H16 | 120.5° | 120.2° |
| C10 | C11 | C12 | C13 | 52.8° | 57.0° |
| C10 | C11 | C12 | O9 | 69.2° | 62.9° |
| C10 | C11 | C12 | H17 | 171.8° | 176.9° |
| C11 | C10 | O7 | H21 | 66.6° | 179.7° |
| C10 | C11 | O8 | H22 | 180.0° | 60.0° |
| C11 | C10 | C9 | O2 | 172.9° | 177.6° |
| O7 | C10 | C11 | C12 | 164.1° | 176.9° |
| O7 | C10 | C11 | O8 | 75.9° | 63.3° |
| O7 | C10 | C11 | H16 | 45.5° | 57.0° |
| O7 | C10 | C9 | O2 | 70.8° | 62.5° |
| H15 | C10 | C11 | C12 | 68.2° | 62.9° |
| H15 | C10 | C11 | O8 | 51.9° | 57.0° |
| H15 | C10 | C11 | H16 | 173.3° | 177.3° |
| H15 | C10 | O7 | H21 | 60.3° | 60.1° |
| H15 | C10 | C9 | O2 | 50.2° | 57.7° |
| C12 | C11 | O8 | H16 | 119.8° | 120.2° |
| C11 | C12 | C13 | O9 | 119.4° | 119.9° |
| C11 | C12 | C13 | H17 | 118.9° | 119.9° |
| C11 | C12 | O9 | H17 | 117.5° | 120.1° |
| C11 | C12 | C13 | C14 | 177.7° | 177.6° |
| C11 | C12 | C13 | O10 | 52.5° | 57.6° |
| C11 | C12 | C13 | H18 | 65.2° | 62.4° |
| C12 | C11 | O8 | H22 | 60.3° | 179.6° |
| C11 | C12 | O9 | H23 | 180.0° | 60.0° |
| O8 | C11 | C12 | C13 | 173.0° | 176.8° |
| O8 | C11 | C12 | O9 | 51.0° | 56.9° |
| O8 | C11 | C12 | H17 | 68.0° | 63.2° |
| H16 | C11 | C12 | C13 | 66.0° | 62.9° |
| H16 | C11 | C12 | O9 | 172.0° | 177.2° |
| H16 | C11 | C12 | H17 | 53.0° | 57.1° |
| H16 | C11 | O8 | H22 | 59.6° | 60.2° |
| C13 | C12 | O9 | H17 | 120.4° | 120.2° |
| C12 | C13 | C14 | O10 | 126.8° | 119.9° |
| C12 | C13 | C14 | H18 | 117.0° | 120.0° |
| C12 | C13 | O10 | H18 | 116.9° | 120.0° |
| C12 | C13 | C14 | O11 | 159.4° | 175.0° |
| C12 | C13 | C14 | H19 | 39.6° | 55.0° |
| C12 | C13 | C14 | H20 | 80.7° | 65.0° |
| C13 | C12 | O9 | H23 | 57.9° | 179.7° |
| O9 | C12 | C13 | C14 | 58.3° | 57.7° |
| O9 | C12 | C13 | O10 | 66.9° | 62.3° |
| O9 | C12 | C13 | H18 | 175.3° | 177.7° |
| H17 | C12 | C13 | C14 | 63.4° | 62.5° |
| H17 | C12 | C13 | O10 | 171.4° | 177.5° |
| H17 | C12 | C13 | H18 | 53.7° | 57.5° |
| H17 | C12 | O9 | H23 | 62.5° | 60.1° |
| C14 | C13 | O10 | H18 | 115.2° | 120.1° |
| C13 | C14 | O11 | H19 | 119.9° | 120.0° |
| C13 | C14 | O11 | H20 | 119.9° | 120.0° |
| C13 | C14 | H19 | H20 | 120.4° | 120.0° |
| C13 | C14 | O11 | H24 | 180.0° | 180.0° |
| O10 | C13 | C14 | O11 | 73.7° | 65.0° |
| O10 | C13 | C14 | H19 | 166.4° | 174.9° |
| O10 | C13 | C14 | H20 | 46.1° | 55.0° |
| C13 | O10 | C9 | O2 | 175.9° | 178.9° |
| H18 | C13 | C14 | O11 | 42.4° | 55.0° |
| H18 | C13 | C14 | H19 | 77.5° | 65.0° |
| H18 | C13 | C14 | H20 | 162.3° | 175.0° |
| O11 | C14 | H19 | H20 | 120.4° | 120.1° |
| H19 | C14 | O11 | H24 | 60.1° | 60.1° |
| H20 | C14 | O11 | H24 | 60.1° | 60.0° |
| C16 | C15 | O15 | H25 | 122.4° | 120.0° |
| C16 | C15 | O15 | O3 | 122.4° | 119.9° |
| C16 | C15 | H25 | O3 | 124.9° | 120.0° |
| C15 | C16 | C17 | O12 | 121.5° | 119.9° |
| C15 | C16 | C17 | H26 | 117.6° | 119.9° |
| C15 | C16 | O12 | H26 | 119.0° | 120.2° |
| C15 | C16 | C17 | C18 | 64.2° | 57.0° |
| C15 | C16 | C17 | O13 | 174.8° | 176.9° |
| C15 | C16 | C17 | H27 | 54.4° | 62.9° |
| C16 | C15 | O15 | C19 | 48.3° | 61.1° |
| C15 | C16 | O12 | H33 | 180.0° | 60.0° |
| O15 | C15 | H25 | O3 | 111.3° | 120.1° |
| O15 | C15 | C16 | C17 | 56.2° | 57.6° |
| O15 | C15 | C16 | O12 | 179.5° | 177.5° |
| O15 | C15 | C16 | H26 | 60.9° | 62.3° |
| C15 | O15 | C19 | C18 | 45.9° | 61.2° |
| C15 | O15 | C19 | C20 | 173.6° | 178.8° |
| C15 | O15 | C19 | H29 | 72.0° | 58.9° |
| H25 | C15 | C16 | C17 | 179.2° | 177.6° |
| H25 | C15 | C16 | O12 | 57.5° | 62.5° |
| H25 | C15 | C16 | H26 | 62.1° | 57.7° |
| H25 | C15 | O15 | C19 | 170.7° | 178.9° |
| C17 | C16 | O12 | H26 | 119.8° | 120.2° |
| C16 | C17 | C18 | O13 | 119.1° | 119.9° |
| C16 | C17 | C18 | H27 | 118.1° | 119.9° |
| C16 | C17 | O13 | H27 | 119.2° | 120.2° |
| C16 | C17 | C18 | C19 | 60.0° | 57.0° |
| C16 | C17 | C18 | O14 | 64.2° | 62.9° |
| C16 | C17 | C18 | H28 | 176.5° | 176.9° |
| C17 | C16 | O12 | H33 | 58.8° | 179.7° |
| C16 | C17 | O13 | H34 | 180.0° | 60.0° |
| C17 | C16 | C15 | O3 | 59.3° | 62.4° |
| O12 | C16 | C17 | C18 | 174.3° | 176.9° |
| O12 | C16 | C17 | O13 | 53.2° | 63.2° |
| O12 | C16 | C17 | H27 | 67.2° | 57.0° |
| O12 | C16 | C15 | O3 | 64.0° | 57.6° |
| H26 | C16 | C17 | C18 | 53.4° | 62.9° |
| H26 | C16 | C17 | O13 | 67.6° | 57.0° |
| H26 | C16 | C17 | H27 | 172.0° | 177.2° |
| H26 | C16 | O12 | H33 | 61.0° | 60.2° |
| H26 | C16 | C15 | O3 | 176.4° | 177.7° |
| C18 | C17 | O13 | H27 | 122.0° | 120.3° |
| C17 | C18 | C19 | O14 | 122.3° | 119.9° |
| C17 | C18 | C19 | H28 | 116.8° | 119.9° |
| C17 | C18 | O14 | H28 | 118.8° | 120.1° |
| C17 | C18 | C19 | C20 | 174.4° | 177.6° |
| C17 | C18 | C19 | O15 | 51.1° | 57.6° |
| C17 | C18 | C19 | H29 | 67.3° | 62.4° |
| C18 | C17 | O13 | H34 | 61.2° | 179.6° |
| C17 | C18 | O14 | H35 | 180.0° | 180.0° |
| O13 | C17 | C18 | C19 | 179.1° | 176.8° |
| O13 | C17 | C18 | O14 | 54.9° | 56.9° |
| O13 | C17 | C18 | H28 | 64.4° | 63.3° |
| H27 | C17 | C18 | C19 | 58.2° | 62.9° |
| H27 | C17 | C18 | O14 | 177.6° | 177.2° |
| H27 | C17 | C18 | H28 | 58.4° | 57.0° |
| H27 | C17 | O13 | H34 | 60.8° | 60.1° |
| C19 | C18 | O14 | H28 | 120.3° | 120.2° |
| C18 | C19 | C20 | O15 | 127.1° | 119.9° |
| C18 | C19 | C20 | H29 | 118.0° | 120.1° |
| C18 | C19 | O15 | H29 | 117.8° | 120.1° |
| C18 | C19 | C20 | H30 | 180.0° | 60.0° |
| C18 | C19 | C20 | H31 | 60.0° | 180.0° |
| C18 | C19 | C20 | H32 | 60.0° | 60.0° |
| C19 | C18 | O14 | H35 | 59.1° | 60.3° |
| O14 | C18 | C19 | C20 | 52.1° | 57.7° |
| O14 | C18 | C19 | O15 | 71.2° | 62.3° |
| O14 | C18 | C19 | H29 | 170.4° | 177.7° |
| H28 | C18 | C19 | C20 | 68.7° | 62.6° |
| H28 | C18 | C19 | O15 | 168.0° | 177.5° |
| H28 | C18 | C19 | H29 | 49.6° | 57.5° |
| H28 | C18 | O14 | H35 | 61.2° | 59.9° |
| C20 | C19 | O15 | H29 | 114.4° | 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 | 52.9° | 180.0° |
| O15 | C19 | C20 | H31 | 67.1° | 60.1° |
| O15 | C19 | C20 | H32 | 172.9° | 60.0° |
| C19 | O15 | C15 | O3 | 74.2° | 58.8° |
| H29 | C19 | C20 | H30 | 62.0° | 60.1° |
| H29 | C19 | C20 | H31 | 178.0° | 59.9° |
| H29 | C19 | C20 | H32 | 58.1° | 179.9° |
| H30 | C20 | H31 | H32 | 120.0° | 120.1° |
