W5R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | N | sing | 1.47Å | 1.47Å | |
| C21 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C19 | sing | 1.47Å | 1.47Å | |
| N2 | C20 | sing | 1.47Å | 1.46Å | |
| N1 | C15 | sing | 1.47Å | 1.46Å | |
| N1 | C14 | sing | 1.47Å | 1.47Å | |
| N1 | C16 | sing | 1.47Å | 1.46Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C13 | C9 | sing | 1.51Å | 1.50Å | |
| N | C9 | sing | 1.37Å | 1.40Å | |
| N | C8 | sing | 1.37Å | 1.41Å | |
| C18 | C8 | sing | 1.51Å | 1.49Å | |
| F2 | C24 | sing | 1.40Å | 1.33Å | |
| C9 | C10 | doub | 1.34Å | 1.36Å | |
| C8 | C7 | doub | 1.34Å | 1.36Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C | sing | 1.51Å | 1.49Å | |
| C24 | F1 | sing | 1.40Å | 1.33Å | |
| C24 | F | sing | 1.40Å | 1.33Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C6 | sing | 1.50Å | 1.51Å | |
| C10 | C11 | sing | 1.41Å | 1.48Å | |
| C | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.50Å | 1.51Å | |
| C7 | C22 | sing | 1.41Å | 1.48Å | |
| C3 | C6 | sing | 1.51Å | 1.55Å | |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| O | C11 | doub | 1.22Å | 1.20Å | |
| O2 | C22 | doub | 1.22Å | 1.21Å | |
| C11 | O1 | sing | 1.35Å | 1.33Å | |
| C22 | O3 | sing | 1.35Å | 1.33Å | |
| O1 | C12 | sing | 1.43Å | 1.45Å | |
| O3 | C23 | sing | 1.43Å | 1.45Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C2 | H27 | sing | 1.08Å | 1.08Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H34 | sing | 1.08Å | 1.08Å | |
| C5 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | N | C9 | 120.7° | 119.8° |
| C17 | N | C8 | 120.7° | 119.8° |
| N | C17 | H8 | 109.5° | 109.5° |
| N | C17 | H9 | 109.5° | 109.5° |
| N | C17 | H10 | 109.4° | 109.4° |
| C21 | N2 | C19 | 111.1° | 111.0° |
| C21 | N2 | C20 | 109.8° | 111.0° |
| N2 | C21 | H31 | 109.5° | 109.5° |
| N2 | C21 | H32 | 109.5° | 109.5° |
| N2 | C21 | H33 | 109.5° | 109.5° |
| C19 | N2 | C20 | 111.6° | 111.0° |
| N2 | C19 | C18 | 113.9° | 109.5° |
| N2 | C19 | H14 | 108.4° | 109.5° |
| N2 | C19 | H15 | 108.4° | 109.5° |
| N2 | C20 | H28 | 109.5° | 109.5° |
| N2 | C20 | H29 | 109.4° | 109.5° |
| N2 | C20 | H30 | 109.5° | 109.5° |
| C15 | N1 | C14 | 111.8° | 111.0° |
| C15 | N1 | C16 | 109.7° | 111.0° |
| N1 | C15 | H19 | 109.5° | 109.5° |
| N1 | C15 | H20 | 109.5° | 109.5° |
| N1 | C15 | H21 | 109.4° | 109.5° |
| C14 | N1 | C16 | 111.7° | 111.0° |
| N1 | C14 | C13 | 113.5° | 109.5° |
| N1 | C14 | H6 | 108.5° | 109.5° |
| N1 | C14 | H7 | 108.5° | 109.5° |
| N1 | C16 | H22 | 109.5° | 109.5° |
| N1 | C16 | H23 | 109.5° | 109.5° |
| N1 | C16 | H24 | 109.5° | 109.5° |
| C14 | C13 | C9 | 113.3° | 109.5° |
| C13 | C14 | H6 | 108.5° | 109.5° |
| C13 | C14 | H7 | 108.4° | 109.4° |
| C14 | C13 | H17 | 108.5° | 109.4° |
| C14 | C13 | H18 | 108.5° | 109.4° |
| C19 | C18 | C8 | 112.0° | 109.5° |
| C18 | C19 | H14 | 108.3° | 109.5° |
| C18 | C19 | H15 | 108.4° | 109.4° |
| C19 | C18 | H25 | 108.8° | 109.5° |
| C19 | C18 | H26 | 108.8° | 109.4° |
| C13 | C9 | N | 116.4° | 119.6° |
| C13 | C9 | C10 | 124.9° | 119.6° |
| C9 | C13 | H17 | 108.5° | 109.5° |
| C9 | C13 | H18 | 108.5° | 109.5° |
| C9 | N | C8 | 118.6° | 120.3° |
| N | C9 | C10 | 118.6° | 120.8° |
| N | C8 | C18 | 118.0° | 119.6° |
| N | C8 | C7 | 118.1° | 120.8° |
| C18 | C8 | C7 | 123.8° | 119.6° |
| C8 | C18 | H25 | 108.8° | 109.5° |
| C8 | C18 | H26 | 108.8° | 109.5° |
| F2 | C24 | C | 112.9° | 109.5° |
| F2 | C24 | F1 | 105.9° | 109.5° |
| F2 | C24 | F | 105.8° | 109.5° |
| C9 | C10 | C6 | 120.7° | 121.4° |
| C9 | C10 | C11 | 123.9° | 119.3° |
| C8 | C7 | C6 | 121.0° | 121.4° |
| C8 | C7 | C22 | 123.9° | 119.3° |
| C4 | C5 | C | 121.4° | 120.0° |
| C5 | C4 | C3 | 119.8° | 120.0° |
| C5 | C4 | H34 | 120.1° | 120.0° |
| C4 | C5 | H35 | 119.3° | 120.0° |
| C5 | C | C24 | 121.5° | 120.0° |
| C5 | C | C1 | 117.9° | 120.0° |
| C | C5 | H35 | 119.3° | 120.0° |
| C | C24 | F1 | 112.8° | 109.5° |
| C | C24 | F | 113.3° | 109.5° |
| C24 | C | C1 | 120.6° | 120.0° |
| F1 | C24 | F | 105.5° | 109.5° |
| C4 | C3 | C6 | 120.6° | 120.0° |
| C4 | C3 | C2 | 119.6° | 120.0° |
| C3 | C4 | H34 | 120.1° | 120.0° |
| C6 | C10 | C11 | 115.1° | 119.3° |
| C10 | C6 | C7 | 109.1° | 110.7° |
| C10 | C6 | C3 | 114.4° | 109.2° |
| C10 | C6 | H2 | 107.3° | 109.2° |
| C10 | C11 | O | 126.3° | 120.0° |
| C10 | C11 | O1 | 111.9° | 120.0° |
| C | C1 | C2 | 121.3° | 120.0° |
| C | C1 | H16 | 119.3° | 120.0° |
| C6 | C7 | C22 | 115.0° | 119.3° |
| C7 | C6 | C3 | 111.6° | 109.2° |
| C7 | C6 | H2 | 107.3° | 109.2° |
| C7 | C22 | O2 | 126.7° | 120.0° |
| C7 | C22 | O3 | 110.9° | 120.0° |
| C6 | C3 | C2 | 119.8° | 120.0° |
| C3 | C6 | H2 | 106.9° | 109.2° |
| C3 | C2 | C1 | 120.1° | 120.0° |
| C3 | C2 | H27 | 120.0° | 120.0° |
| C2 | C1 | H16 | 119.4° | 120.0° |
| C1 | C2 | H27 | 120.0° | 120.0° |
| O | C11 | O1 | 121.7° | 120.0° |
| O2 | C22 | O3 | 122.5° | 120.0° |
| C11 | O1 | C12 | 115.3° | 117.0° |
| C22 | O3 | C23 | 115.9° | 117.0° |
| O1 | C12 | H3 | 109.5° | 109.4° |
| O1 | C12 | H4 | 109.5° | 109.5° |
| O1 | C12 | H5 | 109.5° | 109.5° |
| O3 | C23 | H11 | 109.5° | 109.5° |
| O3 | C23 | H12 | 109.5° | 109.5° |
| O3 | C23 | H13 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.4° |
| H3 | C12 | H5 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.4° |
| H8 | C17 | H9 | 109.4° | 109.5° |
| H8 | C17 | H10 | 109.4° | 109.5° |
| H9 | C17 | H10 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.4° |
| H11 | C23 | H13 | 109.5° | 109.4° |
| H12 | C23 | H13 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.4° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H19 | C15 | H21 | 109.4° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H22 | C16 | H24 | 109.5° | 109.4° |
| H23 | C16 | H24 | 109.4° | 109.4° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H28 | C20 | H29 | 109.5° | 109.5° |
| H28 | C20 | H30 | 109.4° | 109.4° |
| H29 | C20 | H30 | 109.5° | 109.5° |
| H31 | C21 | H32 | 109.5° | 109.4° |
| H31 | C21 | H33 | 109.4° | 109.4° |
| H32 | C21 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | N | C9 | C13 | 31.3° | 17.7° |
| C17 | N | C9 | C8 | 178.9° | 179.9° |
| C17 | N | C8 | C18 | 30.2° | 17.7° |
| C17 | N | C9 | C10 | 151.7° | 162.3° |
| C17 | N | C8 | C7 | 151.7° | 162.3° |
| N | C17 | H8 | H9 | 120.0° | 120.0° |
| N | C17 | H8 | H10 | 120.0° | 119.9° |
| N | C17 | H9 | H10 | 120.0° | 120.0° |
| C21 | N2 | C19 | C20 | 122.9° | 123.9° |
| C21 | N2 | C19 | C18 | 35.0° | 170.0° |
| C21 | N2 | C19 | H14 | 155.6° | 50.0° |
| C21 | N2 | C19 | H15 | 85.7° | 70.0° |
| C21 | N2 | C20 | H28 | 180.0° | 63.9° |
| C21 | N2 | C20 | H29 | 60.0° | 56.1° |
| C21 | N2 | C20 | H30 | 60.0° | 176.1° |
| N2 | C21 | H31 | H32 | 120.0° | 120.0° |
| N2 | C21 | H31 | H33 | 120.0° | 120.0° |
| N2 | C21 | H32 | H33 | 120.0° | 120.1° |
| N2 | C19 | C18 | H14 | 120.6° | 120.0° |
| N2 | C19 | C18 | H15 | 120.7° | 120.0° |
| N2 | C19 | C18 | C8 | 164.6° | 180.0° |
| N2 | C19 | H14 | H15 | 118.0° | 120.0° |
| N2 | C19 | C18 | H25 | 75.1° | 60.0° |
| N2 | C19 | C18 | H26 | 44.2° | 60.0° |
| C19 | N2 | C20 | H28 | 56.4° | 60.0° |
| C19 | N2 | C20 | H29 | 63.6° | 180.0° |
| C19 | N2 | C20 | H30 | 176.4° | 60.0° |
| C19 | N2 | C21 | H31 | 180.0° | 60.0° |
| C19 | N2 | C21 | H32 | 60.0° | 180.0° |
| C19 | N2 | C21 | H33 | 60.0° | 60.0° |
| C20 | N2 | C19 | C18 | 87.9° | 66.0° |
| C20 | N2 | C19 | H14 | 32.7° | 173.9° |
| C20 | N2 | C19 | H15 | 151.4° | 54.0° |
| N2 | C20 | H28 | H29 | 120.0° | 120.0° |
| N2 | C20 | H28 | H30 | 120.0° | 120.0° |
| N2 | C20 | H29 | H30 | 120.0° | 120.0° |
| C20 | N2 | C21 | H31 | 56.1° | 176.0° |
| C20 | N2 | C21 | H32 | 63.9° | 56.1° |
| C20 | N2 | C21 | H33 | 176.1° | 64.0° |
| C15 | N1 | C14 | C16 | 123.4° | 124.0° |
| C15 | N1 | C14 | C13 | 6.2° | 170.0° |
| C15 | N1 | C14 | H6 | 114.4° | 49.9° |
| C15 | N1 | C14 | H7 | 126.7° | 70.0° |
| N1 | C15 | H19 | H20 | 120.0° | 120.0° |
| N1 | C15 | H19 | H21 | 120.0° | 120.0° |
| N1 | C15 | H20 | H21 | 120.0° | 120.0° |
| C15 | N1 | C16 | H22 | 180.0° | 60.0° |
| C15 | N1 | C16 | H23 | 60.0° | 180.0° |
| C15 | N1 | C16 | H24 | 60.0° | 60.0° |
| N1 | C14 | C13 | H6 | 120.6° | 120.1° |
| N1 | C14 | C13 | H7 | 120.6° | 120.0° |
| N1 | C14 | C13 | C9 | 154.5° | 180.0° |
| N1 | C14 | H6 | H7 | 118.2° | 120.0° |
| N1 | C14 | C13 | H17 | 34.0° | 60.0° |
| N1 | C14 | C13 | H18 | 84.9° | 60.0° |
| C14 | N1 | C15 | H19 | 180.0° | 60.0° |
| C14 | N1 | C15 | H20 | 60.0° | 180.0° |
| C14 | N1 | C15 | H21 | 60.0° | 60.0° |
| C14 | N1 | C16 | H22 | 55.4° | 64.0° |
| C14 | N1 | C16 | H23 | 175.4° | 56.1° |
| C14 | N1 | C16 | H24 | 64.6° | 176.0° |
| C16 | N1 | C14 | C13 | 117.2° | 66.1° |
| C16 | N1 | C14 | H6 | 122.2° | 173.9° |
| C16 | N1 | C14 | H7 | 3.4° | 53.9° |
| C16 | N1 | C15 | H19 | 55.5° | 63.9° |
| C16 | N1 | C15 | H20 | 175.5° | 56.0° |
| C16 | N1 | C15 | H21 | 64.5° | 176.1° |
| N1 | C16 | H22 | H23 | 120.0° | 120.1° |
| N1 | C16 | H22 | H24 | 120.0° | 120.0° |
| N1 | C16 | H23 | H24 | 120.0° | 120.0° |
| C14 | C13 | C9 | H17 | 120.6° | 120.0° |
| C14 | C13 | C9 | H18 | 120.6° | 120.0° |
| C14 | C13 | C9 | N | 119.3° | 87.0° |
| C14 | C13 | C9 | C10 | 63.9° | 93.1° |
| C13 | C14 | H6 | H7 | 118.1° | 120.0° |
| C14 | C13 | H17 | H18 | 118.3° | 119.9° |
| C19 | C18 | C8 | N | 102.6° | 81.0° |
| C19 | C18 | C8 | H25 | 120.4° | 120.0° |
| C19 | C18 | C8 | H26 | 120.4° | 120.0° |
| C19 | C18 | C8 | C7 | 79.5° | 99.0° |
| C18 | C19 | H14 | H15 | 118.0° | 119.9° |
| C19 | C18 | H25 | H26 | 118.8° | 120.0° |
| C13 | C9 | N | C10 | 177.0° | 180.0° |
| C13 | C9 | N | C8 | 147.6° | 162.3° |
| C13 | C9 | C10 | C6 | 178.7° | 179.7° |
| C13 | C9 | C10 | C11 | 5.4° | 0.4° |
| C9 | C13 | C14 | H6 | 84.9° | 60.0° |
| C9 | C13 | C14 | H7 | 34.0° | 60.0° |
| C9 | C13 | H17 | H18 | 118.2° | 120.1° |
| C9 | N | C8 | C18 | 148.7° | 162.4° |
| C9 | N | C8 | C7 | 29.4° | 17.7° |
| N | C9 | C10 | C6 | 2.0° | 0.4° |
| N | C9 | C10 | C11 | 171.3° | 179.6° |
| C9 | N | C17 | H8 | 180.0° | 89.9° |
| C9 | N | C17 | H9 | 60.0° | 150.0° |
| C9 | N | C17 | H10 | 60.0° | 30.0° |
| N | C9 | C13 | H17 | 120.1° | 33.0° |
| N | C9 | C13 | H18 | 1.3° | 153.0° |
| N | C8 | C18 | C7 | 178.0° | 180.0° |
| C8 | N | C9 | C10 | 29.4° | 17.6° |
| N | C8 | C7 | C6 | 1.8° | 0.4° |
| N | C8 | C7 | C22 | 174.6° | 179.6° |
| C8 | N | C17 | H8 | 1.1° | 90.0° |
| C8 | N | C17 | H9 | 118.9° | 30.1° |
| C8 | N | C17 | H10 | 121.1° | 150.0° |
| N | C8 | C18 | H25 | 17.8° | 158.9° |
| N | C8 | C18 | H26 | 137.1° | 38.9° |
| C18 | C8 | C7 | C6 | 179.8° | 179.6° |
| C18 | C8 | C7 | C22 | 3.4° | 0.4° |
| C8 | C18 | C19 | H14 | 43.9° | 59.9° |
| C8 | C18 | C19 | H15 | 74.8° | 60.0° |
| C8 | C18 | H25 | H26 | 118.8° | 120.0° |
| F2 | C24 | C | C5 | 62.5° | 30.3° |
| F2 | C24 | C | F1 | 120.0° | 120.0° |
| F2 | C24 | C | F | 120.2° | 120.0° |
| F2 | C24 | F1 | F | 111.8° | 120.1° |
| F2 | C24 | C | C1 | 115.8° | 150.0° |
| C9 | C10 | C6 | C11 | 173.9° | 180.0° |
| C9 | C10 | C6 | C7 | 29.1° | 16.1° |
| C9 | C10 | C6 | C3 | 96.7° | 104.2° |
| C9 | C10 | C11 | O | 7.0° | 100.4° |
| C9 | C10 | C11 | O1 | 176.6° | 79.6° |
| C9 | C10 | C6 | H2 | 145.0° | 136.4° |
| C10 | C9 | C13 | H17 | 56.7° | 147.0° |
| C10 | C9 | C13 | H18 | 175.5° | 26.9° |
| C8 | C7 | C6 | C10 | 29.1° | 16.0° |
| C8 | C7 | C6 | C22 | 176.7° | 180.0° |
| C8 | C7 | C6 | C3 | 98.3° | 104.3° |
| C8 | C7 | C22 | O2 | 24.1° | 103.2° |
| C8 | C7 | C22 | O3 | 157.2° | 76.8° |
| C8 | C7 | C6 | H2 | 144.9° | 136.4° |
| C7 | C8 | C18 | H25 | 160.2° | 21.1° |
| C7 | C8 | C18 | H26 | 40.9° | 141.1° |
| C4 | C5 | C | H35 | 180.0° | 179.8° |
| C4 | C5 | C | C24 | 177.8° | 179.9° |
| C5 | C4 | C3 | H34 | 180.0° | 179.8° |
| C4 | C5 | C | C1 | 0.5° | 0.4° |
| C5 | C4 | C3 | C6 | 179.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.2° | 0.1° |
| C5 | C | C24 | C1 | 178.3° | 179.7° |
| C5 | C | C24 | F1 | 177.5° | 89.7° |
| C5 | C | C24 | F | 57.7° | 150.3° |
| C | C5 | C4 | C3 | 0.1° | 0.2° |
| C5 | C | C1 | C2 | 0.6° | 0.3° |
| C5 | C | C1 | H16 | 179.3° | 179.7° |
| C | C5 | C4 | H34 | 179.8° | 180.0° |
| C | C24 | F1 | F | 124.2° | 120.0° |
| C24 | C | C1 | C2 | 177.7° | 180.0° |
| C24 | C | C1 | H16 | 2.3° | 0.0° |
| C24 | C | C5 | H35 | 2.2° | 0.1° |
| F1 | C24 | C | C1 | 4.2° | 90.0° |
| F | C24 | C | C1 | 124.0° | 30.0° |
| C4 | C3 | C6 | C10 | 10.1° | 60.8° |
| C4 | C3 | C6 | C7 | 134.5° | 60.4° |
| C4 | C3 | C6 | C2 | 178.8° | 179.8° |
| C4 | C3 | C2 | C1 | 0.1° | 0.3° |
| C4 | C3 | C6 | H2 | 108.5° | 179.8° |
| C4 | C3 | C2 | H27 | 179.9° | 179.8° |
| C3 | C4 | C5 | H35 | 179.9° | 180.0° |
| C10 | C6 | C7 | C3 | 127.4° | 120.3° |
| C10 | C6 | C7 | H2 | 115.9° | 120.3° |
| C10 | C6 | C7 | C22 | 147.7° | 163.9° |
| C10 | C6 | C3 | H2 | 118.6° | 119.4° |
| C10 | C6 | C3 | C2 | 171.1° | 119.4° |
| C6 | C10 | C11 | O | 166.7° | 79.6° |
| C6 | C10 | C11 | O1 | 9.8° | 100.4° |
| C11 | C10 | C6 | C7 | 144.7° | 163.9° |
| C11 | C10 | C6 | C3 | 89.5° | 75.8° |
| C10 | C11 | O | O1 | 176.1° | 180.0° |
| C10 | C11 | O1 | C12 | 168.7° | 180.0° |
| C11 | C10 | C6 | H2 | 28.9° | 43.6° |
| C | C1 | C2 | C3 | 0.3° | 0.1° |
| C | C1 | C2 | H16 | 180.0° | 180.0° |
| C | C1 | C2 | H27 | 179.6° | 180.0° |
| C1 | C | C5 | H35 | 179.5° | 179.8° |
| C7 | C6 | C3 | H2 | 117.0° | 119.4° |
| C7 | C6 | C3 | C2 | 46.7° | 119.4° |
| C6 | C7 | C22 | O2 | 159.3° | 76.8° |
| C6 | C7 | C22 | O3 | 19.4° | 103.2° |
| C22 | C7 | C6 | C3 | 85.0° | 75.8° |
| C7 | C22 | O2 | O3 | 178.5° | 180.0° |
| C7 | C22 | O3 | C23 | 178.0° | 180.0° |
| C22 | C7 | C6 | H2 | 31.8° | 43.6° |
| C6 | C3 | C2 | C1 | 178.9° | 180.0° |
| C6 | C3 | C2 | H27 | 1.1° | 0.0° |
| C6 | C3 | C4 | H34 | 1.0° | 0.1° |
| C3 | C2 | C1 | H27 | 180.0° | 179.9° |
| C2 | C3 | C6 | H2 | 70.3° | 0.0° |
| C3 | C2 | C1 | H16 | 179.6° | 180.0° |
| C2 | C3 | C4 | H34 | 179.8° | 179.7° |
| O | C11 | O1 | C12 | 7.9° | 0.0° |
| O2 | C22 | O3 | C23 | 0.7° | 0.0° |
| C11 | O1 | C12 | H3 | 180.0° | 180.0° |
| C11 | O1 | C12 | H4 | 60.0° | 60.1° |
| C11 | O1 | C12 | H5 | 60.0° | 60.0° |
| C22 | O3 | C23 | H11 | 180.0° | 180.0° |
| C22 | O3 | C23 | H12 | 60.0° | 60.1° |
| C22 | O3 | C23 | H13 | 60.0° | 60.0° |
| O1 | C12 | H3 | H4 | 120.0° | 120.0° |
| O1 | C12 | H3 | H5 | 120.0° | 120.0° |
| O1 | C12 | H4 | H5 | 120.0° | 120.1° |
| O3 | C23 | H11 | H12 | 120.0° | 120.0° |
| O3 | C23 | H11 | H13 | 120.0° | 120.0° |
| O3 | C23 | H12 | H13 | 120.0° | 120.1° |
| H3 | C12 | H4 | H5 | 120.0° | 120.0° |
| H6 | C14 | C13 | H17 | 154.6° | 180.0° |
| H6 | C14 | C13 | H18 | 35.7° | 60.1° |
| H7 | C14 | C13 | H17 | 86.6° | 60.0° |
| H7 | C14 | C13 | H18 | 154.5° | 180.0° |
| H8 | C17 | H9 | H10 | 120.0° | 120.0° |
| H11 | C23 | H12 | H13 | 120.0° | 120.0° |
| H14 | C19 | C18 | H25 | 164.3° | 180.0° |
| H14 | C19 | C18 | H26 | 76.4° | 60.0° |
| H15 | C19 | C18 | H25 | 45.6° | 60.1° |
| H15 | C19 | C18 | H26 | 164.9° | 179.9° |
| H16 | C1 | C2 | H27 | 0.4° | 0.0° |
| H19 | C15 | H20 | H21 | 120.0° | 120.0° |
| H22 | C16 | H23 | H24 | 120.0° | 119.9° |
| H28 | C20 | H29 | H30 | 120.0° | 120.0° |
| H31 | C21 | H32 | H33 | 120.0° | 119.9° |
| H34 | C4 | C5 | H35 | 0.1° | 0.2° |
