WPI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | O8 | sing | 1.43Å | 1.38Å | |
| O8 | C3 | sing | 1.36Å | 1.39Å | |
| C7 | C3 | doub | 1.38Å | 1.43Å | Aromatic |
| C7 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C1 | sing | 1.39Å | 1.44Å | Aromatic |
| C13 | C10 | sing | 1.48Å | 1.56Å | |
| C13 | C14 | doub | 1.33Å | 1.52Å | |
| C10 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | O4 | sing | 1.36Å | 1.41Å | |
| C1 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C9 | O4 | sing | 1.43Å | 1.42Å | |
| C5 | C2 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | O6 | sing | 1.36Å | 1.41Å | |
| C14 | C16 | sing | 1.51Å | 1.53Å | |
| C21 | C23 | sing | 1.51Å | 1.40Å | |
| C21 | N20 | sing | 1.48Å | 1.45Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C23 | N25 | sing | 1.48Å | 1.48Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | N20 | sing | 1.47Å | 1.46Å | |
| N20 | C22 | sing | 1.40Å | 1.42Å | |
| O6 | C11 | sing | 1.43Å | 1.39Å | |
| N25 | C27 | sing | 1.47Å | 1.47Å | |
| N25 | C26 | sing | 1.48Å | 1.45Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C22 | C24 | sing | 1.54Å | 1.50Å | |
| C26 | C24 | sing | 1.51Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.51Å | 1.50Å | |
| C31 | C33 | sing | 1.48Å | 1.56Å | |
| C31 | C30 | doub | 1.33Å | 1.52Å | |
| C36 | C33 | doub | 1.40Å | 1.42Å | Aromatic |
| C36 | C38 | sing | 1.38Å | 1.44Å | Aromatic |
| O41 | C44 | sing | 1.43Å | 1.39Å | |
| O41 | C38 | sing | 1.36Å | 1.40Å | |
| C33 | C35 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | C39 | doub | 1.39Å | 1.43Å | Aromatic |
| C35 | C37 | doub | 1.38Å | 1.41Å | Aromatic |
| C39 | C37 | sing | 1.39Å | 1.43Å | Aromatic |
| C39 | O42 | sing | 1.36Å | 1.43Å | |
| C37 | O40 | sing | 1.36Å | 1.36Å | |
| O42 | C45 | sing | 1.43Å | 1.40Å | |
| O40 | C43 | sing | 1.43Å | 1.37Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.08Å | 1.08Å | |
| C31 | H42 | sing | 1.08Å | 1.08Å | |
| C35 | H44 | sing | 1.08Å | 1.08Å | |
| C36 | H45 | sing | 1.08Å | 1.08Å | |
| C43 | H46 | sing | 1.09Å | 1.10Å | |
| C43 | H47 | sing | 1.09Å | 1.10Å | |
| C43 | H48 | sing | 1.09Å | 1.10Å | |
| C44 | H49 | sing | 1.09Å | 1.10Å | |
| C44 | H50 | sing | 1.09Å | 1.10Å | |
| C44 | H51 | sing | 1.09Å | 1.10Å | |
| C45 | H52 | sing | 1.09Å | 1.10Å | |
| C45 | H53 | sing | 1.09Å | 1.10Å | |
| C45 | H54 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | O8 | C3 | 124.8° | 117.0° |
| O8 | C12 | H9 | 109.5° | 109.5° |
| O8 | C12 | H10 | 109.5° | 109.4° |
| O8 | C12 | H11 | 109.5° | 109.5° |
| O8 | C3 | C7 | 118.4° | 120.0° |
| O8 | C3 | C1 | 123.2° | 120.0° |
| C3 | C7 | C10 | 121.2° | 120.0° |
| C7 | C3 | C1 | 118.3° | 120.0° |
| C3 | C7 | H2 | 119.4° | 120.0° |
| C7 | C10 | C13 | 120.9° | 120.1° |
| C7 | C10 | C5 | 119.7° | 119.9° |
| C10 | C7 | H2 | 119.4° | 120.1° |
| C3 | C1 | O4 | 121.5° | 119.9° |
| C3 | C1 | C2 | 120.5° | 120.1° |
| C10 | C13 | C14 | 110.7° | 120.0° |
| C13 | C10 | C5 | 119.4° | 120.0° |
| C10 | C13 | H12 | 124.7° | 120.0° |
| C13 | C14 | C16 | 111.2° | 120.0° |
| C14 | C13 | H12 | 124.7° | 120.0° |
| C13 | C14 | H14 | 124.4° | 120.0° |
| C10 | C5 | C2 | 121.3° | 120.0° |
| C10 | C5 | H1 | 119.4° | 120.0° |
| O4 | C1 | C2 | 118.1° | 119.9° |
| C1 | O4 | C9 | 120.0° | 117.0° |
| C1 | C2 | C5 | 119.0° | 120.0° |
| C1 | C2 | O6 | 121.7° | 120.0° |
| O4 | C9 | H3 | 109.5° | 109.5° |
| O4 | C9 | H4 | 109.4° | 109.5° |
| O4 | C9 | H5 | 109.4° | 109.5° |
| C5 | C2 | O6 | 119.3° | 120.0° |
| C2 | C5 | H1 | 119.4° | 120.0° |
| C2 | O6 | C11 | 121.5° | 117.0° |
| C14 | C16 | C18 | 120.0° | 109.5° |
| C16 | C14 | H14 | 124.4° | 120.0° |
| C14 | C16 | H16 | 106.8° | 109.4° |
| C14 | C16 | H17 | 106.8° | 109.5° |
| C23 | C21 | N20 | 123.9° | 108.1° |
| C21 | C23 | N25 | 120.3° | 111.9° |
| C23 | C21 | H23 | 105.8° | 109.7° |
| C23 | C21 | H24 | 105.7° | 109.7° |
| C21 | C23 | H27 | 106.7° | 109.0° |
| C21 | C23 | H28 | 106.7° | 109.0° |
| C21 | N20 | C19 | 109.8° | 111.0° |
| C21 | N20 | C22 | 132.8° | 114.6° |
| N20 | C21 | H23 | 105.8° | 109.8° |
| N20 | C21 | H24 | 105.8° | 109.7° |
| C16 | C18 | C19 | 119.8° | 109.5° |
| C18 | C16 | H16 | 106.8° | 109.5° |
| C18 | C16 | H17 | 106.8° | 109.4° |
| C16 | C18 | H18 | 106.8° | 109.5° |
| C16 | C18 | H19 | 106.8° | 109.4° |
| C23 | N25 | C27 | 117.7° | 111.0° |
| C23 | N25 | C26 | 128.3° | 113.8° |
| N25 | C23 | H27 | 106.7° | 109.1° |
| N25 | C23 | H28 | 106.7° | 109.0° |
| C18 | C19 | N20 | 116.9° | 109.5° |
| C19 | C18 | H18 | 106.8° | 109.5° |
| C19 | C18 | H19 | 106.8° | 109.5° |
| C18 | C19 | H20 | 107.6° | 109.5° |
| C18 | C19 | H21 | 107.6° | 109.5° |
| C19 | N20 | C22 | 117.4° | 111.0° |
| N20 | C19 | H20 | 107.6° | 109.4° |
| N20 | C19 | H21 | 107.6° | 109.5° |
| N20 | C22 | C24 | 119.4° | 111.5° |
| N20 | C22 | H25 | 106.9° | 109.1° |
| N20 | C22 | H26 | 106.9° | 109.1° |
| O6 | C11 | H6 | 109.5° | 109.5° |
| O6 | C11 | H7 | 109.5° | 109.5° |
| O6 | C11 | H8 | 109.5° | 109.5° |
| C27 | N25 | C26 | 114.1° | 111.0° |
| N25 | C27 | C28 | 122.7° | 109.5° |
| N25 | C27 | H34 | 106.0° | 109.4° |
| N25 | C27 | H35 | 106.0° | 109.5° |
| N25 | C26 | C24 | 109.5° | 113.0° |
| N25 | C26 | H32 | 109.5° | 108.8° |
| N25 | C26 | H33 | 109.4° | 108.8° |
| C27 | C28 | C29 | 122.0° | 109.5° |
| C28 | C27 | H34 | 106.1° | 109.5° |
| C28 | C27 | H35 | 106.1° | 109.4° |
| C27 | C28 | H36 | 106.2° | 109.4° |
| C27 | C28 | H37 | 106.2° | 109.4° |
| C22 | C24 | C26 | 117.4° | 109.0° |
| C24 | C22 | H25 | 106.9° | 109.1° |
| C24 | C22 | H26 | 106.9° | 109.0° |
| C22 | C24 | H29 | 107.5° | 109.6° |
| C22 | C24 | H30 | 107.5° | 109.6° |
| C26 | C24 | H29 | 107.5° | 109.5° |
| C26 | C24 | H30 | 107.5° | 109.7° |
| C24 | C26 | H32 | 109.5° | 108.8° |
| C24 | C26 | H33 | 109.5° | 108.8° |
| C28 | C29 | C30 | 122.3° | 109.5° |
| C29 | C28 | H36 | 106.3° | 109.5° |
| C29 | C28 | H37 | 106.3° | 109.5° |
| C28 | C29 | H38 | 106.2° | 109.5° |
| C28 | C29 | H39 | 106.2° | 109.5° |
| C29 | C30 | C31 | 108.5° | 120.1° |
| C30 | C29 | H38 | 106.2° | 109.4° |
| C30 | C29 | H39 | 106.2° | 109.5° |
| C29 | C30 | H40 | 125.8° | 119.9° |
| C33 | C31 | C30 | 112.7° | 120.0° |
| C31 | C33 | C36 | 122.6° | 120.0° |
| C31 | C33 | C35 | 119.6° | 120.1° |
| C33 | C31 | H42 | 123.7° | 120.0° |
| C31 | C30 | H40 | 125.8° | 120.0° |
| C30 | C31 | H42 | 123.6° | 120.0° |
| C33 | C36 | C38 | 123.4° | 119.9° |
| C36 | C33 | C35 | 117.7° | 119.9° |
| C33 | C36 | H45 | 118.3° | 120.1° |
| C36 | C38 | O41 | 121.1° | 119.9° |
| C36 | C38 | C39 | 118.4° | 120.1° |
| C38 | C36 | H45 | 118.3° | 120.0° |
| C44 | O41 | C38 | 121.8° | 117.0° |
| O41 | C44 | H49 | 109.5° | 109.4° |
| O41 | C44 | H50 | 109.5° | 109.5° |
| O41 | C44 | H51 | 109.5° | 109.4° |
| O41 | C38 | C39 | 120.5° | 120.0° |
| C33 | C35 | C37 | 120.1° | 119.9° |
| C33 | C35 | H44 | 120.0° | 120.1° |
| C38 | C39 | C37 | 116.9° | 120.1° |
| C38 | C39 | O42 | 121.9° | 119.9° |
| C35 | C37 | C39 | 123.4° | 120.1° |
| C35 | C37 | O40 | 118.1° | 120.0° |
| C37 | C35 | H44 | 119.9° | 120.0° |
| C37 | C39 | O42 | 121.1° | 120.0° |
| C39 | C37 | O40 | 118.4° | 120.0° |
| C39 | O42 | C45 | 123.2° | 117.0° |
| C37 | O40 | C43 | 113.1° | 117.0° |
| O42 | C45 | H52 | 109.5° | 109.5° |
| O42 | C45 | H53 | 109.4° | 109.5° |
| O42 | C45 | H54 | 109.5° | 109.5° |
| O40 | C43 | H46 | 109.5° | 109.5° |
| O40 | C43 | H47 | 109.5° | 109.5° |
| O40 | C43 | H48 | 109.4° | 109.5° |
| H3 | C9 | H4 | 109.5° | 109.4° |
| H3 | C9 | H5 | 109.5° | 109.5° |
| H4 | C9 | H5 | 109.5° | 109.4° |
| H6 | C11 | H7 | 109.4° | 109.5° |
| H6 | C11 | H8 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.4° |
| H9 | C12 | H11 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.4° | 109.5° |
| H16 | C16 | H17 | 109.4° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.4° |
| H20 | C19 | H21 | 109.5° | 109.4° |
| H23 | C21 | H24 | 109.5° | 109.7° |
| H25 | C22 | H26 | 109.5° | 109.0° |
| H27 | C23 | H28 | 109.5° | 108.9° |
| H29 | C24 | H30 | 109.4° | 109.6° |
| H32 | C26 | H33 | 109.4° | 108.6° |
| H34 | C27 | H35 | 109.5° | 109.5° |
| H36 | C28 | H37 | 109.5° | 109.5° |
| H38 | C29 | H39 | 109.5° | 109.4° |
| H46 | C43 | H47 | 109.5° | 109.4° |
| H46 | C43 | H48 | 109.5° | 109.4° |
| H47 | C43 | H48 | 109.5° | 109.4° |
| H49 | C44 | H50 | 109.5° | 109.5° |
| H49 | C44 | H51 | 109.4° | 109.4° |
| H50 | C44 | H51 | 109.4° | 109.5° |
| H52 | C45 | H53 | 109.5° | 109.4° |
| H52 | C45 | H54 | 109.5° | 109.5° |
| H53 | C45 | H54 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | O8 | C3 | C7 | 124.0° | 0.0° |
| C12 | O8 | C3 | C1 | 57.3° | 180.0° |
| O8 | C12 | H9 | H10 | 120.0° | 119.9° |
| O8 | C12 | H9 | H11 | 120.0° | 120.1° |
| O8 | C12 | H10 | H11 | 120.0° | 120.0° |
| O8 | C3 | C7 | C1 | 178.7° | 180.0° |
| O8 | C3 | C7 | C10 | 179.5° | 180.0° |
| O8 | C3 | C1 | O4 | 1.3° | 0.1° |
| O8 | C3 | C1 | C2 | 179.2° | 179.7° |
| O8 | C3 | C7 | H2 | 0.4° | 0.0° |
| C3 | O8 | C12 | H9 | 180.0° | 180.0° |
| C3 | O8 | C12 | H10 | 60.0° | 60.1° |
| C3 | O8 | C12 | H11 | 60.0° | 59.9° |
| C3 | C7 | C10 | H2 | 180.0° | 180.0° |
| C3 | C7 | C10 | C13 | 179.6° | 180.0° |
| C3 | C7 | C10 | C5 | 0.4° | 0.3° |
| C7 | C3 | C1 | O4 | 179.9° | 180.0° |
| C7 | C3 | C1 | C2 | 0.6° | 0.3° |
| C10 | C7 | C3 | C1 | 0.9° | 0.0° |
| C7 | C10 | C13 | C5 | 179.9° | 179.7° |
| C7 | C10 | C13 | C14 | 151.5° | 180.0° |
| C7 | C10 | C5 | C2 | 0.3° | 0.2° |
| C7 | C10 | C5 | H1 | 179.6° | 179.8° |
| C7 | C10 | C13 | H12 | 28.5° | 0.0° |
| C3 | C1 | O4 | C2 | 179.5° | 179.7° |
| C3 | C1 | O4 | C9 | 103.6° | 90.3° |
| C3 | C1 | C2 | C5 | 0.1° | 0.3° |
| C3 | C1 | C2 | O6 | 179.3° | 179.7° |
| C1 | C3 | C7 | H2 | 179.1° | 180.0° |
| C10 | C13 | C14 | H12 | 180.0° | 180.0° |
| C13 | C10 | C5 | C2 | 179.7° | 180.0° |
| C10 | C13 | C14 | C16 | 122.7° | 180.0° |
| C13 | C10 | C5 | H1 | 0.3° | 0.1° |
| C13 | C10 | C7 | H2 | 0.5° | 0.0° |
| C10 | C13 | C14 | H14 | 57.3° | 0.0° |
| C14 | C13 | C10 | C5 | 28.5° | 0.2° |
| C13 | C14 | C16 | H14 | 180.0° | 179.9° |
| C13 | C14 | C16 | C18 | 111.9° | 124.9° |
| C13 | C14 | C16 | H16 | 126.6° | 115.1° |
| C13 | C14 | C16 | H17 | 9.5° | 5.0° |
| C10 | C5 | C2 | C1 | 0.6° | 0.1° |
| C10 | C5 | C2 | H1 | 180.0° | 180.0° |
| C10 | C5 | C2 | O6 | 179.9° | 180.0° |
| C5 | C10 | C7 | H2 | 179.6° | 179.7° |
| C5 | C10 | C13 | H12 | 151.4° | 179.7° |
| O4 | C1 | C2 | C5 | 179.4° | 180.0° |
| O4 | C1 | C2 | O6 | 0.2° | 0.0° |
| C1 | O4 | C9 | H3 | 180.0° | 180.0° |
| C1 | O4 | C9 | H4 | 60.0° | 60.0° |
| C1 | O4 | C9 | H5 | 60.0° | 60.0° |
| C2 | C1 | O4 | C9 | 75.9° | 90.0° |
| C1 | C2 | C5 | O6 | 179.3° | 179.9° |
| C1 | C2 | O6 | C11 | 127.0° | 180.0° |
| C1 | C2 | C5 | H1 | 179.4° | 179.9° |
| O4 | C9 | H3 | H4 | 120.0° | 120.0° |
| O4 | C9 | H3 | H5 | 120.0° | 120.0° |
| O4 | C9 | H4 | H5 | 120.0° | 120.0° |
| C5 | C2 | O6 | C11 | 53.8° | 0.1° |
| O6 | C2 | C5 | H1 | 0.1° | 0.0° |
| C2 | O6 | C11 | H6 | 180.0° | 60.0° |
| C2 | O6 | C11 | H7 | 60.0° | 60.0° |
| C2 | O6 | C11 | H8 | 60.0° | 180.0° |
| C14 | C16 | C18 | H16 | 121.5° | 120.0° |
| C14 | C16 | C18 | H17 | 121.5° | 120.0° |
| C14 | C16 | C18 | C19 | 136.6° | 180.0° |
| C16 | C14 | C13 | H12 | 57.3° | 0.1° |
| C14 | C16 | H16 | H17 | 115.3° | 120.0° |
| C14 | C16 | C18 | H18 | 15.2° | 60.0° |
| C14 | C16 | C18 | H19 | 101.9° | 60.0° |
| C23 | C21 | N20 | H23 | 122.0° | 119.7° |
| C23 | C21 | N20 | H24 | 121.9° | 119.7° |
| C21 | C23 | N25 | H27 | 121.5° | 120.7° |
| C21 | C23 | N25 | H28 | 121.5° | 120.6° |
| C23 | C21 | N20 | C19 | 154.8° | 152.0° |
| C23 | C21 | N20 | C22 | 26.6° | 81.3° |
| C21 | C23 | N25 | C27 | 171.3° | 85.0° |
| C21 | C23 | N25 | C26 | 9.3° | 41.1° |
| C23 | C21 | H23 | H24 | 113.5° | 120.6° |
| C21 | C23 | H27 | H28 | 115.1° | 118.7° |
| N20 | C21 | C23 | N25 | 44.2° | 94.6° |
| C21 | N20 | C19 | C18 | 149.9° | 62.5° |
| C21 | N20 | C19 | C22 | 178.9° | 128.6° |
| C21 | N20 | C22 | C24 | 13.6° | 61.4° |
| C21 | N20 | C19 | H20 | 28.8° | 57.5° |
| C21 | N20 | C19 | H21 | 89.0° | 177.4° |
| N20 | C21 | H23 | H24 | 113.5° | 120.7° |
| C21 | N20 | C22 | H25 | 135.0° | 178.0° |
| C21 | N20 | C22 | H26 | 107.9° | 59.0° |
| N20 | C21 | C23 | H27 | 165.7° | 144.7° |
| N20 | C21 | C23 | H28 | 77.3° | 26.0° |
| C16 | C18 | C19 | H18 | 121.5° | 120.0° |
| C16 | C18 | C19 | H19 | 121.5° | 120.0° |
| C16 | C18 | C19 | N20 | 109.4° | 179.9° |
| C18 | C16 | C14 | H14 | 68.0° | 55.0° |
| C18 | C16 | H16 | H17 | 115.2° | 120.0° |
| C16 | C18 | H18 | H19 | 115.3° | 119.9° |
| C16 | C18 | C19 | H20 | 11.7° | 60.0° |
| C16 | C18 | C19 | H21 | 129.5° | 60.0° |
| C23 | N25 | C27 | C26 | 179.5° | 127.6° |
| C23 | N25 | C27 | C28 | 158.4° | 170.0° |
| C23 | N25 | C26 | C24 | 53.3° | 41.7° |
| N25 | C23 | C21 | H23 | 166.2° | 25.1° |
| N25 | C23 | C21 | H24 | 77.8° | 145.7° |
| N25 | C23 | H27 | H28 | 115.1° | 118.8° |
| C23 | N25 | C26 | H32 | 66.7° | 162.6° |
| C23 | N25 | C26 | H33 | 173.4° | 79.2° |
| C23 | N25 | C27 | H34 | 79.7° | 70.0° |
| C23 | N25 | C27 | H35 | 36.6° | 50.0° |
| C18 | C19 | N20 | H20 | 121.1° | 120.0° |
| C18 | C19 | N20 | H21 | 121.1° | 120.1° |
| C18 | C19 | N20 | C22 | 29.0° | 66.1° |
| C19 | C18 | C16 | H16 | 101.9° | 60.0° |
| C19 | C18 | C16 | H17 | 15.1° | 60.0° |
| C19 | C18 | H18 | H19 | 115.3° | 120.0° |
| C18 | C19 | H20 | H21 | 116.6° | 120.0° |
| C19 | N20 | C22 | C24 | 167.8° | 171.9° |
| N20 | C19 | C18 | H18 | 129.2° | 60.0° |
| N20 | C19 | C18 | H19 | 12.1° | 60.0° |
| N20 | C19 | H20 | H21 | 116.6° | 120.0° |
| C19 | N20 | C21 | H23 | 32.8° | 88.3° |
| C19 | N20 | C21 | H24 | 83.3° | 32.4° |
| C19 | N20 | C22 | H25 | 46.4° | 51.3° |
| C19 | N20 | C22 | H26 | 70.7° | 67.7° |
| N20 | C22 | C24 | H25 | 121.4° | 120.6° |
| N20 | C22 | C24 | H26 | 121.4° | 120.5° |
| N20 | C22 | C24 | C26 | 47.4° | 76.0° |
| C22 | N20 | C19 | H20 | 150.1° | 173.9° |
| C22 | N20 | C19 | H21 | 92.1° | 54.0° |
| C22 | N20 | C21 | H23 | 148.5° | 38.4° |
| C22 | N20 | C21 | H24 | 95.4° | 159.1° |
| N20 | C22 | H25 | H26 | 115.5° | 119.0° |
| N20 | C22 | C24 | H29 | 73.7° | 43.8° |
| N20 | C22 | C24 | H30 | 168.6° | 164.1° |
| O6 | C11 | H6 | H7 | 120.0° | 120.0° |
| O6 | C11 | H6 | H8 | 120.0° | 120.0° |
| O6 | C11 | H7 | H8 | 120.0° | 120.0° |
| N25 | C27 | C28 | H34 | 121.8° | 120.0° |
| N25 | C27 | C28 | H35 | 121.8° | 120.0° |
| C27 | N25 | C26 | C24 | 126.1° | 167.8° |
| N25 | C27 | C28 | C29 | 144.1° | 180.0° |
| C27 | N25 | C23 | H27 | 49.8° | 35.7° |
| C27 | N25 | C23 | H28 | 67.2° | 154.4° |
| C27 | N25 | C26 | H32 | 113.9° | 71.3° |
| C27 | N25 | C26 | H33 | 6.1° | 46.9° |
| N25 | C27 | H34 | H35 | 114.0° | 120.0° |
| N25 | C27 | C28 | H36 | 22.4° | 60.0° |
| N25 | C27 | C28 | H37 | 94.2° | 60.0° |
| C26 | N25 | C27 | C28 | 21.1° | 62.4° |
| N25 | C26 | C24 | C22 | 78.7° | 92.6° |
| N25 | C26 | C24 | H32 | 120.0° | 120.9° |
| N25 | C26 | C24 | H33 | 120.0° | 120.9° |
| C26 | N25 | C23 | H27 | 130.8° | 161.8° |
| C26 | N25 | C23 | H28 | 112.2° | 79.5° |
| N25 | C26 | C24 | H29 | 42.4° | 27.2° |
| N25 | C26 | C24 | H30 | 160.1° | 147.5° |
| N25 | C26 | H32 | H33 | 119.9° | 118.3° |
| C26 | N25 | C27 | H34 | 100.8° | 57.6° |
| C26 | N25 | C27 | H35 | 142.9° | 177.6° |
| C27 | C28 | C29 | H36 | 121.7° | 120.0° |
| C27 | C28 | C29 | H37 | 121.7° | 120.0° |
| C27 | C28 | C29 | C30 | 154.2° | 180.0° |
| C28 | C27 | H34 | H35 | 114.1° | 120.0° |
| C27 | C28 | H36 | H37 | 114.3° | 119.9° |
| C27 | C28 | C29 | H38 | 32.4° | 60.0° |
| C27 | C28 | C29 | H39 | 84.1° | 60.0° |
| C22 | C24 | C26 | H29 | 121.2° | 119.8° |
| C22 | C24 | C26 | H30 | 121.1° | 119.9° |
| C24 | C22 | H25 | H26 | 115.5° | 119.0° |
| C22 | C24 | H29 | H30 | 116.4° | 120.3° |
| C22 | C24 | C26 | H32 | 41.3° | 146.5° |
| C22 | C24 | C26 | H33 | 161.2° | 28.3° |
| C26 | C24 | C22 | H25 | 168.8° | 163.5° |
| C26 | C24 | C22 | H26 | 74.0° | 44.5° |
| C26 | C24 | H29 | H30 | 116.4° | 120.3° |
| C24 | C26 | H32 | H33 | 120.0° | 118.3° |
| C28 | C29 | C30 | H38 | 121.8° | 120.0° |
| C28 | C29 | C30 | H39 | 121.8° | 120.1° |
| C28 | C29 | C30 | C31 | 109.8° | 125.0° |
| C29 | C28 | C27 | H34 | 94.1° | 60.0° |
| C29 | C28 | C27 | H35 | 22.3° | 60.0° |
| C29 | C28 | H36 | H37 | 114.4° | 120.0° |
| C28 | C29 | H38 | H39 | 114.2° | 120.0° |
| C28 | C29 | C30 | H40 | 70.2° | 55.0° |
| C29 | C30 | C31 | C33 | 161.7° | 180.0° |
| C29 | C30 | C31 | H40 | 180.0° | 179.9° |
| C30 | C29 | C28 | H36 | 84.1° | 60.0° |
| C30 | C29 | C28 | H37 | 32.5° | 60.0° |
| C30 | C29 | H38 | H39 | 114.2° | 119.9° |
| C29 | C30 | C31 | H42 | 18.3° | 0.1° |
| C33 | C31 | C30 | H42 | 180.0° | 179.9° |
| C31 | C33 | C36 | C35 | 179.4° | 179.8° |
| C31 | C33 | C36 | C38 | 179.9° | 180.0° |
| C31 | C33 | C35 | C37 | 179.0° | 180.0° |
| C33 | C31 | C30 | H40 | 18.2° | 0.1° |
| C31 | C33 | C35 | H44 | 1.0° | 0.1° |
| C31 | C33 | C36 | H45 | 0.1° | 0.1° |
| C30 | C31 | C33 | C36 | 104.9° | 0.2° |
| C30 | C31 | C33 | C35 | 75.8° | 180.0° |
| C31 | C30 | C29 | H38 | 12.0° | 4.9° |
| C31 | C30 | C29 | H39 | 128.4° | 115.0° |
| C33 | C36 | C38 | H45 | 180.0° | 179.9° |
| C33 | C36 | C38 | O41 | 179.9° | 179.9° |
| C33 | C36 | C38 | C39 | 1.0° | 0.1° |
| C36 | C33 | C35 | C37 | 0.4° | 0.2° |
| C36 | C33 | C31 | H42 | 75.2° | 179.7° |
| C36 | C33 | C35 | H44 | 179.6° | 179.7° |
| C36 | C38 | O41 | C44 | 67.2° | 0.0° |
| C36 | C38 | O41 | C39 | 178.9° | 180.0° |
| C38 | C36 | C33 | C35 | 0.5° | 0.2° |
| C36 | C38 | C39 | C37 | 0.4° | 0.4° |
| C36 | C38 | C39 | O42 | 180.0° | 180.0° |
| C44 | O41 | C38 | C39 | 113.9° | 180.0° |
| O41 | C44 | H49 | H50 | 120.0° | 120.0° |
| O41 | C44 | H49 | H51 | 120.0° | 119.9° |
| O41 | C44 | H50 | H51 | 120.0° | 120.0° |
| O41 | C38 | C39 | C37 | 179.3° | 179.6° |
| O41 | C38 | C39 | O42 | 1.1° | 0.0° |
| O41 | C38 | C36 | H45 | 0.1° | 0.0° |
| C38 | O41 | C44 | H49 | 180.0° | 60.0° |
| C38 | O41 | C44 | H50 | 60.0° | 60.0° |
| C38 | O41 | C44 | H51 | 60.0° | 180.0° |
| C33 | C35 | C37 | H44 | 180.0° | 179.9° |
| C33 | C35 | C37 | C39 | 1.0° | 0.1° |
| C33 | C35 | C37 | O40 | 179.1° | 180.0° |
| C35 | C33 | C31 | H42 | 104.2° | 0.1° |
| C35 | C33 | C36 | H45 | 179.5° | 179.7° |
| C38 | C39 | C37 | C35 | 0.6° | 0.4° |
| C38 | C39 | C37 | O42 | 179.6° | 179.7° |
| C38 | C39 | C37 | O40 | 178.6° | 179.7° |
| C38 | C39 | O42 | C45 | 112.7° | 90.0° |
| C39 | C38 | C36 | H45 | 179.0° | 180.0° |
| C35 | C37 | C39 | O40 | 178.1° | 179.9° |
| C35 | C37 | C39 | O42 | 179.0° | 180.0° |
| C35 | C37 | O40 | C43 | 98.1° | 0.1° |
| C37 | C39 | O42 | C45 | 67.7° | 90.3° |
| C39 | C37 | O40 | C43 | 80.1° | 180.0° |
| C39 | C37 | C35 | H44 | 179.0° | 180.0° |
| O42 | C39 | C37 | O40 | 0.9° | 0.0° |
| C39 | O42 | C45 | H52 | 180.0° | 60.0° |
| C39 | O42 | C45 | H53 | 60.0° | 60.0° |
| C39 | O42 | C45 | H54 | 60.0° | 179.9° |
| O40 | C37 | C35 | H44 | 0.9° | 0.0° |
| C37 | O40 | C43 | H46 | 180.0° | 60.0° |
| C37 | O40 | C43 | H47 | 60.0° | 180.0° |
| C37 | O40 | C43 | H48 | 60.0° | 60.0° |
| O42 | C45 | H52 | H53 | 120.0° | 120.0° |
| O42 | C45 | H52 | H54 | 120.0° | 120.1° |
| O42 | C45 | H53 | H54 | 120.0° | 120.1° |
| O40 | C43 | H46 | H47 | 120.0° | 120.0° |
| O40 | C43 | H46 | H48 | 120.0° | 120.0° |
| O40 | C43 | H47 | H48 | 120.0° | 120.0° |
| H3 | C9 | H4 | H5 | 120.0° | 120.0° |
| H6 | C11 | H7 | H8 | 120.0° | 120.0° |
| H9 | C12 | H10 | H11 | 120.0° | 120.0° |
| H12 | C13 | C14 | H14 | 122.7° | 180.0° |
| H14 | C14 | C16 | H16 | 53.5° | 65.0° |
| H14 | C14 | C16 | H17 | 170.5° | 175.0° |
| H16 | C16 | C18 | H18 | 136.7° | 180.0° |
| H16 | C16 | C18 | H19 | 19.6° | 60.0° |
| H17 | C16 | C18 | H18 | 106.3° | 60.0° |
| H17 | C16 | C18 | H19 | 136.6° | 179.9° |
| H18 | C18 | C19 | H20 | 109.7° | 180.0° |
| H18 | C18 | C19 | H21 | 8.1° | 60.1° |
| H19 | C18 | C19 | H20 | 133.2° | 60.0° |
| H19 | C18 | C19 | H21 | 109.0° | 180.0° |
| H23 | C21 | C23 | H27 | 72.3° | 95.6° |
| H23 | C21 | C23 | H28 | 44.7° | 145.7° |
| H24 | C21 | C23 | H27 | 43.8° | 25.0° |
| H24 | C21 | C23 | H28 | 160.7° | 93.6° |
| H25 | C22 | C24 | H29 | 47.7° | 76.8° |
| H25 | C22 | C24 | H30 | 70.0° | 43.5° |
| H26 | C22 | C24 | H29 | 164.9° | 164.3° |
| H26 | C22 | C24 | H30 | 47.2° | 75.4° |
| H29 | C24 | C26 | H32 | 162.5° | 93.7° |
| H29 | C24 | C26 | H33 | 77.6° | 148.1° |
| H30 | C24 | C26 | H32 | 79.8° | 26.5° |
| H30 | C24 | C26 | H33 | 40.1° | 91.6° |
| H34 | C27 | C28 | H36 | 144.2° | 179.9° |
| H34 | C27 | C28 | H37 | 27.6° | 60.0° |
| H35 | C27 | C28 | H36 | 99.5° | 60.1° |
| H35 | C27 | C28 | H37 | 144.0° | NaN° |
| H36 | C28 | C29 | H38 | 154.2° | 180.0° |
| H36 | C28 | C29 | H39 | 37.7° | 60.0° |
| H37 | C28 | C29 | H38 | 89.3° | 60.0° |
| H37 | C28 | C29 | H39 | 154.2° | 180.0° |
| H38 | C29 | C30 | H40 | 168.1° | 175.0° |
| H39 | C29 | C30 | H40 | 51.6° | 65.1° |
| H40 | C30 | C31 | H42 | 161.8° | 180.0° |
| H46 | C43 | H47 | H48 | 120.0° | 119.9° |
| H49 | C44 | H50 | H51 | 119.9° | 120.0° |
| H52 | C45 | H53 | H54 | 120.0° | 120.0° |
