AWI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C16 | sing | 1.53Å | 1.52Å | |
| C20 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | O15 | sing | 1.43Å | 1.46Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| O15 | C12 | sing | 1.36Å | 1.37Å | |
| C17 | C18 | doub | 1.33Å | 1.33Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.42Å | Aromatic |
| C11 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C41 | C40 | sing | 1.53Å | 1.47Å | |
| C41 | C39 | sing | 1.53Å | 1.47Å | |
| C18 | C13 | sing | 1.48Å | 1.45Å | |
| C13 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C8 | O7 | sing | 1.35Å | 1.37Å | |
| C8 | C9 | doub | 1.41Å | 1.40Å | Aromatic |
| O7 | C4 | sing | 1.35Å | 1.36Å | |
| C40 | C39 | sing | 1.53Å | 1.48Å | |
| C39 | C30 | sing | 1.53Å | 1.50Å | |
| C14 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | O31 | sing | 1.36Å | 1.36Å | |
| C30 | O24 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.47Å | 1.50Å | |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| O31 | C32 | sing | 1.43Å | 1.39Å | |
| O24 | C2 | sing | 1.36Å | 1.37Å | |
| C2 | C1 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C10 | sing | 1.48Å | 1.51Å | |
| C5 | C6 | doub | 1.40Å | 1.44Å | Aromatic |
| C10 | O19 | doub | 1.22Å | 1.20Å | |
| C32 | C33 | sing | 1.51Å | 1.50Å | |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | O22 | sing | 1.36Å | 1.37Å | |
| C6 | C25 | sing | 1.51Å | 1.51Å | |
| C38 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| O22 | C23 | sing | 1.43Å | 1.41Å | |
| C37 | N36 | doub | 1.32Å | 1.35Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.31Å | 1.33Å | |
| N36 | C35 | sing | 1.32Å | 1.36Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.49Å | |
| C27 | C29 | sing | 1.51Å | 1.50Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C35 | H10 | sing | 1.08Å | 1.08Å | |
| C38 | H11 | sing | 1.08Å | 1.08Å | |
| C41 | H12 | sing | 1.09Å | 1.10Å | |
| C41 | H13 | sing | 1.09Å | 1.10Å | |
| C40 | H14 | sing | 1.09Å | 1.10Å | |
| C40 | H15 | sing | 1.09Å | 1.10Å | |
| C39 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.08Å | 1.08Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C11 | H31 | sing | 1.08Å | 1.08Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C16 | C20 | 112.2° | 109.3° |
| C21 | C16 | O15 | 107.7° | 109.3° |
| C21 | C16 | C17 | 111.4° | 109.3° |
| C16 | C21 | H4 | 109.5° | 109.4° |
| C16 | C21 | H5 | 109.5° | 109.4° |
| C16 | C21 | H6 | 109.5° | 109.5° |
| C20 | C16 | O15 | 103.6° | 109.2° |
| C20 | C16 | C17 | 110.4° | 109.2° |
| C16 | C20 | H1 | 109.5° | 109.5° |
| C16 | C20 | H2 | 109.5° | 109.5° |
| C16 | C20 | H3 | 109.5° | 109.5° |
| O15 | C16 | C17 | 111.2° | 110.6° |
| C16 | O15 | C12 | 117.4° | 117.1° |
| C16 | C17 | C18 | 121.0° | 120.0° |
| C16 | C17 | H18 | 119.5° | 120.0° |
| O15 | C12 | C11 | 117.5° | 121.0° |
| O15 | C12 | C13 | 120.3° | 118.6° |
| C17 | C18 | C13 | 120.4° | 118.1° |
| C18 | C17 | H18 | 119.5° | 120.1° |
| C17 | C18 | H19 | 119.8° | 121.0° |
| C11 | C12 | C13 | 122.2° | 120.4° |
| C12 | C11 | C8 | 118.9° | 120.3° |
| C12 | C11 | H31 | 120.6° | 119.9° |
| C12 | C13 | C18 | 117.9° | 118.5° |
| C12 | C13 | C14 | 117.6° | 120.1° |
| C11 | C8 | O7 | 114.7° | 119.6° |
| C11 | C8 | C9 | 123.0° | 119.5° |
| C8 | C11 | H31 | 120.6° | 119.9° |
| C40 | C41 | C39 | 60.4° | 60.0° |
| C41 | C40 | C39 | 59.9° | 60.0° |
| C40 | C41 | H12 | 119.9° | 117.4° |
| C40 | C41 | H13 | 119.9° | 117.5° |
| C41 | C40 | H14 | 120.0° | 117.5° |
| C41 | C40 | H15 | 120.0° | 117.5° |
| C41 | C39 | C40 | 59.6° | 60.0° |
| C41 | C39 | C30 | 119.5° | 117.5° |
| C39 | C41 | H12 | 119.9° | 117.5° |
| C39 | C41 | H13 | 119.9° | 117.6° |
| C41 | C39 | H16 | 116.1° | 117.6° |
| C18 | C13 | C14 | 124.4° | 121.4° |
| C13 | C18 | H19 | 119.8° | 120.9° |
| C13 | C14 | C9 | 121.3° | 119.1° |
| C13 | C14 | O31 | 118.1° | 120.5° |
| O7 | C8 | C9 | 121.8° | 120.9° |
| C8 | O7 | C4 | 122.7° | 122.0° |
| C8 | C9 | C14 | 117.0° | 120.6° |
| C8 | C9 | C10 | 118.5° | 118.5° |
| O7 | C4 | C3 | 115.2° | 119.9° |
| O7 | C4 | C5 | 122.2° | 121.1° |
| C40 | C39 | C30 | 118.7° | 117.5° |
| C39 | C40 | H14 | 120.0° | 117.5° |
| C39 | C40 | H15 | 120.0° | 117.5° |
| C40 | C39 | H16 | 115.9° | 117.5° |
| C39 | C30 | O24 | 106.8° | 109.5° |
| C30 | C39 | H16 | 115.5° | 115.6° |
| C39 | C30 | H29 | 110.1° | 109.5° |
| C39 | C30 | H30 | 110.1° | 109.5° |
| C9 | C14 | O31 | 119.6° | 120.4° |
| C14 | C9 | C10 | 123.9° | 120.9° |
| C14 | O31 | C32 | 118.3° | 117.0° |
| C30 | O24 | C2 | 121.7° | 117.0° |
| O24 | C30 | H29 | 110.2° | 109.5° |
| O24 | C30 | H30 | 110.2° | 109.5° |
| C4 | C3 | C2 | 119.7° | 120.2° |
| C3 | C4 | C5 | 122.4° | 119.0° |
| C4 | C3 | H17 | 120.1° | 119.9° |
| C3 | C2 | O24 | 124.7° | 119.7° |
| C3 | C2 | C1 | 120.0° | 120.6° |
| C2 | C3 | H17 | 120.2° | 119.9° |
| C9 | C10 | C5 | 116.5° | 116.0° |
| C9 | C10 | O19 | 120.9° | 122.0° |
| C4 | C5 | C10 | 118.0° | 118.4° |
| C4 | C5 | C6 | 118.0° | 120.6° |
| O31 | C32 | C33 | 109.9° | 109.4° |
| O31 | C32 | H27 | 109.4° | 109.4° |
| O31 | C32 | H28 | 109.4° | 109.5° |
| O24 | C2 | C1 | 115.3° | 119.7° |
| C2 | C1 | C6 | 120.9° | 120.0° |
| C2 | C1 | O22 | 119.4° | 120.1° |
| C10 | C5 | C6 | 123.9° | 121.0° |
| C5 | C10 | O19 | 122.5° | 122.0° |
| C5 | C6 | C1 | 118.9° | 119.6° |
| C5 | C6 | C25 | 122.4° | 120.2° |
| C32 | C33 | C38 | 121.4° | 120.8° |
| C32 | C33 | C34 | 119.9° | 120.8° |
| C33 | C32 | H27 | 109.4° | 109.5° |
| C33 | C32 | H28 | 109.3° | 109.5° |
| C6 | C1 | O22 | 119.7° | 120.0° |
| C1 | C6 | C25 | 118.6° | 120.2° |
| C1 | O22 | C23 | 115.3° | 117.0° |
| C6 | C25 | C26 | 112.4° | 109.5° |
| C6 | C25 | H7 | 108.7° | 109.5° |
| C6 | C25 | H8 | 108.7° | 109.5° |
| C33 | C38 | C37 | 119.0° | 119.2° |
| C38 | C33 | C34 | 118.6° | 118.4° |
| C33 | C38 | H11 | 120.5° | 120.4° |
| C38 | C37 | N36 | 122.7° | 120.7° |
| C37 | C38 | H11 | 120.5° | 120.4° |
| C38 | C37 | H35 | 118.7° | 119.6° |
| C33 | C34 | C35 | 118.9° | 119.1° |
| C33 | C34 | H26 | 120.5° | 120.4° |
| O22 | C23 | H32 | 109.5° | 109.5° |
| O22 | C23 | H33 | 109.5° | 109.4° |
| O22 | C23 | H34 | 109.4° | 109.5° |
| C37 | N36 | C35 | 118.2° | 121.8° |
| N36 | C37 | H35 | 118.6° | 119.6° |
| C25 | C26 | C27 | 127.3° | 120.0° |
| C26 | C25 | H7 | 108.7° | 109.4° |
| C26 | C25 | H8 | 108.7° | 109.5° |
| C25 | C26 | H9 | 116.4° | 119.9° |
| C34 | C35 | N36 | 122.5° | 120.7° |
| C34 | C35 | H10 | 118.8° | 119.6° |
| C35 | C34 | H26 | 120.6° | 120.4° |
| C26 | C27 | C28 | 124.1° | 120.0° |
| C26 | C27 | C29 | 121.3° | 120.0° |
| C27 | C26 | H9 | 116.4° | 120.1° |
| N36 | C35 | H10 | 118.8° | 119.6° |
| C28 | C27 | C29 | 114.6° | 120.0° |
| C27 | C28 | H20 | 109.5° | 109.5° |
| C27 | C28 | H21 | 109.5° | 109.5° |
| C27 | C28 | H22 | 109.5° | 109.5° |
| C27 | C29 | H23 | 109.5° | 109.5° |
| C27 | C29 | H24 | 109.4° | 109.4° |
| C27 | C29 | H25 | 109.5° | 109.5° |
| H1 | C20 | H2 | 109.5° | 109.4° |
| H1 | C20 | H3 | 109.5° | 109.4° |
| H2 | C20 | H3 | 109.4° | 109.5° |
| H4 | C21 | H5 | 109.5° | 109.5° |
| H4 | C21 | H6 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.5° | 109.5° |
| H7 | C25 | H8 | 109.5° | 109.5° |
| H12 | C41 | H13 | 109.5° | 115.6° |
| H14 | C40 | H15 | 109.5° | 115.6° |
| H20 | C28 | H21 | 109.5° | 109.5° |
| H20 | C28 | H22 | 109.4° | 109.5° |
| H21 | C28 | H22 | 109.5° | 109.5° |
| H23 | C29 | H24 | 109.4° | 109.5° |
| H23 | C29 | H25 | 109.5° | 109.5° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H27 | C32 | H28 | 109.4° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.4° |
| H32 | C23 | H33 | 109.5° | 109.5° |
| H32 | C23 | H34 | 109.5° | 109.5° |
| H33 | C23 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C16 | C20 | O15 | 115.9° | 119.5° |
| C21 | C16 | C20 | C17 | 124.9° | 119.5° |
| C21 | C16 | O15 | C17 | 122.3° | 120.3° |
| C21 | C16 | O15 | C12 | 162.7° | 168.7° |
| C21 | C16 | C17 | C18 | 148.8° | 151.6° |
| C21 | C16 | C20 | H1 | 180.0° | 60.0° |
| C21 | C16 | C20 | H2 | 60.0° | 180.0° |
| C21 | C16 | C20 | H3 | 60.0° | 60.0° |
| C16 | C21 | H4 | H5 | 120.0° | 120.0° |
| C16 | C21 | H4 | H6 | 120.0° | 120.0° |
| C16 | C21 | H5 | H6 | 120.0° | 120.0° |
| C21 | C16 | C17 | H18 | 31.2° | 28.4° |
| C20 | C16 | O15 | C17 | 118.6° | 120.2° |
| C20 | C16 | O15 | C12 | 78.2° | 71.8° |
| C20 | C16 | C17 | C18 | 85.8° | 88.9° |
| C16 | C20 | H1 | H2 | 120.0° | 120.0° |
| C16 | C20 | H1 | H3 | 120.0° | 120.0° |
| C16 | C20 | H2 | H3 | 120.0° | 120.1° |
| C20 | C16 | C21 | H4 | 180.0° | 60.0° |
| C20 | C16 | C21 | H5 | 60.0° | 180.0° |
| C20 | C16 | C21 | H6 | 60.0° | 60.0° |
| C20 | C16 | C17 | H18 | 94.2° | 91.0° |
| O15 | C16 | C17 | C18 | 28.7° | 31.3° |
| C16 | O15 | C12 | C11 | 151.3° | 145.8° |
| C16 | O15 | C12 | C13 | 30.4° | 34.1° |
| O15 | C16 | C20 | H1 | 64.1° | 59.5° |
| O15 | C16 | C20 | H2 | 175.9° | 60.5° |
| O15 | C16 | C20 | H3 | 55.9° | 179.5° |
| O15 | C16 | C21 | H4 | 66.6° | 179.5° |
| O15 | C16 | C21 | H5 | 53.5° | 60.5° |
| O15 | C16 | C21 | H6 | 173.4° | 59.5° |
| O15 | C16 | C17 | H18 | 151.3° | 148.7° |
| C17 | C16 | O15 | C12 | 40.4° | 48.4° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C16 | C17 | C18 | C13 | 5.8° | 0.6° |
| C17 | C16 | C20 | H1 | 55.1° | 179.4° |
| C17 | C16 | C20 | H2 | 64.9° | 60.6° |
| C17 | C16 | C20 | H3 | 175.2° | 59.5° |
| C17 | C16 | C21 | H4 | 55.7° | 59.5° |
| C17 | C16 | C21 | H5 | 175.7° | 60.6° |
| C17 | C16 | C21 | H6 | 64.3° | 179.4° |
| C16 | C17 | C18 | H19 | 174.2° | 179.4° |
| O15 | C12 | C11 | C13 | 178.3° | 179.9° |
| O15 | C12 | C11 | C8 | 178.3° | 179.9° |
| O15 | C12 | C13 | C18 | 5.3° | 0.4° |
| O15 | C12 | C13 | C14 | 178.5° | 179.6° |
| O15 | C12 | C11 | H31 | 1.7° | 0.2° |
| C17 | C18 | C13 | C12 | 7.2° | 16.3° |
| C17 | C18 | C13 | H19 | 180.0° | 180.0° |
| C17 | C18 | C13 | C14 | 168.7° | 163.7° |
| C12 | C11 | C8 | H31 | 180.0° | 179.9° |
| C11 | C12 | C13 | C18 | 176.4° | 179.6° |
| C11 | C12 | C13 | C14 | 0.3° | 0.5° |
| C12 | C11 | C8 | O7 | 171.7° | 179.5° |
| C12 | C11 | C8 | C9 | 0.9° | 0.5° |
| C13 | C12 | C11 | C8 | 0.0° | 0.2° |
| C12 | C13 | C18 | C14 | 175.8° | 180.0° |
| C12 | C13 | C14 | C9 | 1.5° | 0.0° |
| C12 | C13 | C14 | O31 | 167.1° | 180.0° |
| C12 | C13 | C18 | H19 | 172.8° | 163.8° |
| C13 | C12 | C11 | H31 | 180.0° | 179.7° |
| C11 | C8 | O7 | C9 | 172.7° | 179.9° |
| C11 | C8 | O7 | C4 | 169.8° | 163.9° |
| C11 | C8 | C9 | C14 | 2.0° | 1.0° |
| C11 | C8 | C9 | C10 | 173.5° | 178.8° |
| C40 | C41 | C39 | H12 | 109.6° | 107.4° |
| C40 | C41 | C39 | H13 | 109.6° | 107.4° |
| C41 | C40 | C39 | H14 | 109.5° | 107.5° |
| C41 | C40 | C39 | H15 | 109.4° | 107.6° |
| C40 | C41 | C39 | C30 | 107.9° | 107.5° |
| C40 | C41 | H12 | H13 | 144.5° | 145.6° |
| C41 | C40 | H14 | H15 | 144.8° | 145.7° |
| C40 | C41 | C39 | H16 | 106.1° | 107.5° |
| C41 | C39 | C30 | H16 | 146.2° | 145.7° |
| C41 | C39 | C30 | O24 | 155.7° | 175.0° |
| C39 | C41 | H12 | H13 | 144.5° | 145.8° |
| C41 | C39 | C30 | H29 | 36.2° | 55.0° |
| C41 | C39 | C30 | H30 | 84.7° | 65.0° |
| C18 | C13 | C14 | C9 | 177.3° | 180.0° |
| C18 | C13 | C14 | O31 | 8.7° | 0.1° |
| C13 | C18 | C17 | H18 | 174.1° | 179.5° |
| C13 | C14 | C9 | C8 | 2.3° | 0.7° |
| C13 | C14 | C9 | O31 | 168.5° | 180.0° |
| C13 | C14 | C9 | C10 | 173.3° | 179.1° |
| C13 | C14 | O31 | C32 | 96.3° | 90.0° |
| C14 | C13 | C18 | H19 | 11.3° | 16.2° |
| O7 | C8 | C9 | C14 | 170.1° | 179.0° |
| C8 | O7 | C4 | C3 | 170.7° | 164.4° |
| O7 | C8 | C9 | C10 | 1.4° | 1.1° |
| C8 | O7 | C4 | C5 | 4.6° | 16.0° |
| O7 | C8 | C11 | H31 | 8.3° | 0.4° |
| C9 | C8 | O7 | C4 | 2.9° | 16.1° |
| C8 | C9 | C14 | C10 | 171.0° | 179.8° |
| C8 | C9 | C14 | O31 | 166.2° | 179.2° |
| C8 | C9 | C10 | C5 | 3.8° | 12.5° |
| C8 | C9 | C10 | O19 | 175.6° | 167.4° |
| C9 | C8 | C11 | H31 | 179.1° | 179.5° |
| O7 | C4 | C3 | C5 | 175.2° | 179.6° |
| O7 | C4 | C3 | C2 | 176.0° | 179.4° |
| O7 | C4 | C5 | C10 | 1.8° | 1.0° |
| O7 | C4 | C5 | C6 | 178.3° | 179.1° |
| O7 | C4 | C3 | H17 | 4.0° | 0.8° |
| C40 | C39 | C30 | H16 | 144.4° | 145.7° |
| C40 | C39 | C30 | O24 | 134.9° | 116.4° |
| C39 | C40 | H14 | H15 | 144.8° | 145.6° |
| C40 | C39 | C30 | H29 | 105.5° | 123.6° |
| C40 | C39 | C30 | H30 | 15.3° | 3.6° |
| C39 | C30 | O24 | H29 | 119.6° | 120.0° |
| C39 | C30 | O24 | H30 | 119.6° | 120.0° |
| C39 | C30 | O24 | C2 | 95.6° | 180.0° |
| C30 | C39 | C41 | H12 | 142.5° | 145.1° |
| C30 | C39 | C41 | H13 | 1.7° | 0.0° |
| C30 | C39 | C40 | H14 | 0.2° | 0.0° |
| C30 | C39 | C40 | H15 | 141.3° | 145.0° |
| C39 | C30 | H29 | H30 | 121.2° | 120.0° |
| C9 | C14 | O31 | C32 | 94.9° | 90.0° |
| C14 | C9 | C10 | C5 | 167.1° | 167.3° |
| C14 | C9 | C10 | O19 | 13.5° | 12.7° |
| O31 | C14 | C9 | C10 | 4.8° | 1.0° |
| C14 | O31 | C32 | C33 | 179.3° | 180.0° |
| C14 | O31 | C32 | H27 | 59.3° | 60.1° |
| C14 | O31 | C32 | H28 | 60.6° | 60.0° |
| C30 | O24 | C2 | C3 | 2.9° | 0.0° |
| C30 | O24 | C2 | C1 | 175.4° | 179.5° |
| O24 | C30 | C39 | H16 | 9.5° | 29.3° |
| O24 | C30 | H29 | H30 | 121.3° | 120.0° |
| C4 | C3 | C2 | H17 | 180.0° | 179.8° |
| C4 | C3 | C2 | O24 | 176.9° | 180.0° |
| C4 | C3 | C2 | C1 | 1.4° | 0.5° |
| C3 | C4 | C5 | C10 | 173.1° | 179.4° |
| C3 | C4 | C5 | C6 | 3.4° | 0.5° |
| C2 | C3 | C4 | C5 | 0.8° | 0.1° |
| C3 | C2 | O24 | C1 | 178.3° | 179.5° |
| C3 | C2 | C1 | C6 | 0.7° | 0.7° |
| C3 | C2 | C1 | O22 | 179.3° | 179.5° |
| C9 | C10 | C5 | C4 | 2.3° | 12.6° |
| C9 | C10 | C5 | O19 | 179.4° | 180.0° |
| C9 | C10 | C5 | C6 | 174.0° | 167.3° |
| C4 | C5 | C10 | C6 | 176.3° | 179.9° |
| C4 | C5 | C10 | O19 | 177.1° | 167.4° |
| C4 | C5 | C6 | C1 | 3.9° | 0.3° |
| C4 | C5 | C6 | C25 | 177.3° | 179.7° |
| C5 | C4 | C3 | H17 | 179.2° | 179.6° |
| O31 | C32 | C33 | H27 | 120.1° | 119.9° |
| O31 | C32 | C33 | H28 | 120.1° | 120.0° |
| O31 | C32 | C33 | C38 | 41.5° | 90.0° |
| O31 | C32 | C33 | C34 | 143.0° | 90.0° |
| O31 | C32 | H27 | H28 | 119.8° | 120.0° |
| O24 | C2 | C1 | C6 | 177.7° | 179.8° |
| O24 | C2 | C1 | O22 | 0.9° | 0.0° |
| O24 | C2 | C3 | H17 | 3.1° | 0.2° |
| C2 | O24 | C30 | H29 | 23.9° | 60.0° |
| C2 | O24 | C30 | H30 | 144.8° | 60.0° |
| C2 | C1 | C6 | C5 | 2.0° | 0.3° |
| C2 | C1 | C6 | O22 | 178.5° | 179.7° |
| C2 | C1 | C6 | C25 | 179.2° | 179.7° |
| C2 | C1 | O22 | C23 | 61.4° | 90.2° |
| C1 | C2 | C3 | H17 | 178.6° | 179.8° |
| C10 | C5 | C6 | C1 | 172.4° | 179.6° |
| C10 | C5 | C6 | C25 | 6.4° | 0.4° |
| C6 | C5 | C10 | O19 | 6.6° | 12.7° |
| C5 | C6 | C1 | C25 | 178.8° | 179.9° |
| C5 | C6 | C1 | O22 | 176.6° | 179.9° |
| C5 | C6 | C25 | C26 | 98.3° | 84.3° |
| C5 | C6 | C25 | H7 | 141.3° | 155.7° |
| C5 | C6 | C25 | H8 | 22.1° | 35.7° |
| C32 | C33 | C38 | C34 | 175.6° | 180.0° |
| C32 | C33 | C38 | C37 | 173.9° | 179.7° |
| C32 | C33 | C34 | C35 | 173.8° | 180.0° |
| C32 | C33 | C38 | H11 | 6.1° | 0.0° |
| C32 | C33 | C34 | H26 | 6.2° | 0.1° |
| C33 | C32 | H27 | H28 | 119.8° | 120.1° |
| C6 | C1 | O22 | C23 | 117.1° | 90.1° |
| C1 | C6 | C25 | C26 | 80.5° | 95.6° |
| C1 | C6 | C25 | H7 | 40.0° | 24.3° |
| C1 | C6 | C25 | H8 | 159.1° | 144.4° |
| O22 | C1 | C6 | C25 | 2.2° | 0.0° |
| C1 | O22 | C23 | H32 | 180.0° | 180.0° |
| C1 | O22 | C23 | H33 | 60.0° | 60.0° |
| C1 | O22 | C23 | H34 | 60.0° | 59.9° |
| C6 | C25 | C26 | H7 | 120.4° | 120.0° |
| C6 | C25 | C26 | H8 | 120.4° | 120.0° |
| C6 | C25 | C26 | C27 | 141.2° | 126.8° |
| C6 | C25 | H7 | H8 | 118.7° | 120.0° |
| C6 | C25 | C26 | H9 | 38.8° | 53.2° |
| C33 | C38 | C37 | H11 | 180.0° | 179.7° |
| C33 | C38 | C37 | N36 | 0.4° | 0.3° |
| C38 | C33 | C34 | C35 | 1.8° | 0.0° |
| C38 | C33 | C34 | H26 | 178.2° | 180.0° |
| C38 | C33 | C32 | H27 | 161.6° | 150.0° |
| C38 | C33 | C32 | H28 | 78.6° | 30.0° |
| C33 | C38 | C37 | H35 | 179.6° | 180.0° |
| C37 | C38 | C33 | C34 | 1.7° | 0.3° |
| C38 | C37 | N36 | H35 | 180.0° | 179.7° |
| C38 | C37 | N36 | C35 | 2.4° | 0.1° |
| C33 | C34 | C35 | H26 | 180.0° | 179.9° |
| C33 | C34 | C35 | N36 | 0.1° | 0.4° |
| C33 | C34 | C35 | H10 | 179.9° | 180.0° |
| C34 | C33 | C38 | H11 | 178.3° | 179.9° |
| C34 | C33 | C32 | H27 | 22.9° | 29.9° |
| C34 | C33 | C32 | H28 | 96.9° | 150.0° |
| O22 | C23 | H32 | H33 | 120.0° | 119.9° |
| O22 | C23 | H32 | H34 | 120.0° | 120.1° |
| O22 | C23 | H33 | H34 | 120.0° | 120.0° |
| C37 | N36 | C35 | C34 | 2.2° | 0.4° |
| C37 | N36 | C35 | H10 | 177.8° | 180.0° |
| N36 | C37 | C38 | H11 | 179.5° | 179.9° |
| C25 | C26 | C27 | H9 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 178.8° | 6.1° |
| C25 | C26 | C27 | C29 | 2.1° | 173.9° |
| C26 | C25 | H7 | H8 | 118.6° | 120.0° |
| C34 | C35 | N36 | H10 | 180.0° | 179.6° |
| C26 | C27 | C28 | C29 | 179.1° | 180.0° |
| C27 | C26 | C25 | H7 | 20.7° | 6.9° |
| C27 | C26 | C25 | H8 | 98.4° | 113.1° |
| C26 | C27 | C28 | H20 | 180.0° | 55.0° |
| C26 | C27 | C28 | H21 | 60.0° | 175.0° |
| C26 | C27 | C28 | H22 | 60.0° | 65.0° |
| C26 | C27 | C29 | H23 | 180.0° | 90.0° |
| C26 | C27 | C29 | H24 | 60.0° | 150.0° |
| C26 | C27 | C29 | H25 | 60.0° | 30.0° |
| N36 | C35 | C34 | H26 | 179.9° | 179.7° |
| C35 | N36 | C37 | H35 | 177.7° | 179.7° |
| C28 | C27 | C26 | H9 | 1.2° | 173.9° |
| C27 | C28 | H20 | H21 | 120.0° | 120.0° |
| C27 | C28 | H20 | H22 | 120.0° | 120.0° |
| C27 | C28 | H21 | H22 | 120.0° | 120.0° |
| C28 | C27 | C29 | H23 | 0.9° | 90.0° |
| C28 | C27 | C29 | H24 | 120.9° | 30.0° |
| C28 | C27 | C29 | H25 | 119.1° | 150.0° |
| C29 | C27 | C26 | H9 | 177.9° | 6.1° |
| C29 | C27 | C28 | H20 | 0.9° | 125.0° |
| C29 | C27 | C28 | H21 | 119.1° | 5.0° |
| C29 | C27 | C28 | H22 | 120.9° | 115.0° |
| C27 | C29 | H23 | H24 | 120.0° | 120.0° |
| C27 | C29 | H23 | H25 | 120.0° | 120.0° |
| C27 | C29 | H24 | H25 | 120.0° | 120.0° |
| H1 | C20 | H2 | H3 | 120.0° | 119.9° |
| H4 | C21 | H5 | H6 | 120.0° | 120.0° |
| H7 | C25 | C26 | H9 | 159.3° | 173.2° |
| H8 | C25 | C26 | H9 | 81.6° | 66.8° |
| H10 | C35 | C34 | H26 | 0.1° | 0.1° |
| H11 | C38 | C37 | H35 | 0.4° | 0.3° |
| H12 | C41 | C40 | H14 | 141.0° | 145.0° |
| H12 | C41 | C40 | H15 | 0.1° | 0.1° |
| H12 | C41 | C39 | H16 | 3.5° | 0.1° |
| H13 | C41 | C40 | H14 | 0.2° | 0.1° |
| H13 | C41 | C40 | H15 | 141.0° | 145.0° |
| H13 | C41 | C39 | H16 | 144.3° | 145.1° |
| H14 | C40 | C39 | H16 | 144.1° | 145.0° |
| H15 | C40 | C39 | H16 | 3.0° | 0.0° |
| H16 | C39 | C30 | H29 | 110.1° | 90.7° |
| H16 | C39 | C30 | H30 | 129.1° | 149.3° |
| H18 | C17 | C18 | H19 | 5.9° | 0.6° |
| H20 | C28 | H21 | H22 | 119.9° | 120.0° |
| H23 | C29 | H24 | H25 | 120.0° | 120.1° |
| H32 | C23 | H33 | H34 | 120.0° | 120.0° |
