PFW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C1 | sing | 1.36Å | 1.36Å | |
| C2 | C1 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| O24 | C2 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | sing | 1.37Å | 1.37Å | Aromatic |
| C3 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | sing | 1.42Å | 1.43Å | Aromatic |
| C5 | N10 | sing | 1.34Å | 1.34Å | Aromatic |
| C6 | C7 | sing | 1.42Å | 1.44Å | Aromatic |
| N11 | C7 | sing | 1.38Å | 1.39Å | |
| C7 | N8 | doub | 1.33Å | 1.33Å | Aromatic |
| N8 | C9 | sing | 1.32Å | 1.33Å | Aromatic |
| N10 | C9 | doub | 1.31Å | 1.31Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | N11 | sing | 1.47Å | 1.48Å | |
| N11 | C12 | sing | 1.47Å | 1.48Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C17 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| O23 | C25 | sing | 1.43Å | 1.43Å | |
| C26 | O24 | sing | 1.43Å | 1.43Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C28 | C27 | sing | 1.51Å | 1.51Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| N29 | C28 | doub | 1.31Å | 1.31Å | Aromatic |
| C31 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | N29 | sing | 1.34Å | 1.33Å | Aromatic |
| C32 | C30 | sing | 1.41Å | 1.42Å | Aromatic |
| C30 | C31 | doub | 1.37Å | 1.37Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C37 | C32 | sing | 1.40Å | 1.42Å | Aromatic |
| C32 | C33 | doub | 1.42Å | 1.43Å | Aromatic |
| C34 | C33 | sing | 1.41Å | 1.41Å | Aromatic |
| C35 | C34 | doub | 1.36Å | 1.36Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | doub | 1.36Å | 1.37Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C1 | C2 | 116.9° | 119.7° |
| O23 | C1 | C4 | 123.2° | 119.6° |
| C1 | O23 | C25 | 114.0° | 117.0° |
| C2 | C1 | C4 | 119.8° | 120.7° |
| C1 | C2 | O24 | 117.2° | 119.7° |
| C1 | C2 | C3 | 121.1° | 120.7° |
| C1 | C4 | C5 | 119.2° | 119.5° |
| C1 | C4 | H4 | 120.4° | 120.3° |
| O24 | C2 | C3 | 121.6° | 119.6° |
| C2 | O24 | C26 | 113.7° | 117.0° |
| C2 | C3 | C6 | 121.1° | 119.7° |
| C2 | C3 | H3 | 119.4° | 120.1° |
| C6 | C3 | H3 | 119.5° | 120.1° |
| C3 | C6 | C5 | 117.6° | 119.9° |
| C3 | C6 | C7 | 123.2° | 122.0° |
| C5 | C4 | H4 | 120.4° | 120.2° |
| C4 | C5 | C6 | 121.1° | 119.5° |
| C4 | C5 | N10 | 121.5° | 121.8° |
| C6 | C5 | N10 | 117.5° | 118.7° |
| C5 | C6 | C7 | 119.2° | 118.1° |
| C5 | N10 | C9 | 121.5° | 120.5° |
| C6 | C7 | N11 | 121.8° | 120.8° |
| C6 | C7 | N8 | 116.9° | 118.2° |
| N11 | C7 | N8 | 121.2° | 120.9° |
| C7 | N11 | C16 | 104.8° | 111.0° |
| C7 | N11 | C12 | 113.2° | 111.0° |
| C7 | N8 | C9 | 121.8° | 121.5° |
| N8 | C9 | N10 | 123.1° | 122.9° |
| N8 | C9 | H9 | 118.4° | 118.5° |
| N10 | C9 | H9 | 118.5° | 118.6° |
| C16 | N11 | C12 | 105.3° | 111.2° |
| N11 | C16 | C15 | 109.6° | 109.6° |
| N11 | C16 | H16 | 109.4° | 109.4° |
| N11 | C16 | H16A | 109.4° | 109.5° |
| N11 | C12 | C13 | 111.9° | 109.5° |
| N11 | C12 | H12 | 108.7° | 109.4° |
| N11 | C12 | H12A | 108.7° | 109.4° |
| C13 | C12 | H12 | 108.7° | 109.5° |
| C13 | C12 | H12A | 108.7° | 109.5° |
| C12 | C13 | C14 | 112.8° | 109.2° |
| C12 | C13 | H13 | 108.4° | 109.5° |
| C12 | C13 | H13A | 108.4° | 109.5° |
| H12 | C12 | H12A | 110.3° | 109.5° |
| C14 | C13 | H13 | 108.4° | 109.5° |
| C14 | C13 | H13A | 108.4° | 109.5° |
| C13 | C14 | C15 | 110.3° | 109.2° |
| C13 | C14 | H14 | 109.2° | 109.5° |
| C13 | C14 | H14A | 109.2° | 109.5° |
| H13 | C13 | H13A | 110.6° | 109.5° |
| C15 | C14 | H14 | 109.2° | 109.5° |
| C15 | C14 | H14A | 109.2° | 109.6° |
| C14 | C15 | C17 | 114.9° | 109.5° |
| C14 | C15 | C16 | 107.6° | 109.3° |
| C14 | C15 | H15 | 108.0° | 109.5° |
| H14 | C14 | H14A | 109.7° | 109.4° |
| C17 | C15 | C16 | 112.0° | 109.5° |
| C17 | C15 | H15 | 103.2° | 109.5° |
| C15 | C17 | C18 | 119.4° | 119.9° |
| C15 | C17 | C22 | 121.6° | 120.0° |
| C16 | C15 | H15 | 111.2° | 109.5° |
| C15 | C16 | H16 | 109.5° | 109.5° |
| C15 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.4° |
| C18 | C17 | C22 | 119.0° | 120.0° |
| C17 | C18 | C19 | 120.5° | 120.0° |
| C17 | C18 | H18 | 119.8° | 120.0° |
| C17 | C22 | C21 | 120.3° | 120.0° |
| C17 | C22 | H22 | 119.9° | 120.0° |
| C19 | C18 | H18 | 119.8° | 120.0° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C18 | C19 | H19 | 119.9° | 120.1° |
| C20 | C19 | H19 | 119.9° | 119.9° |
| C19 | C20 | C21 | 119.9° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.1° |
| C21 | C20 | H20 | 120.1° | 120.0° |
| C20 | C21 | C22 | 120.1° | 120.0° |
| C20 | C21 | H21 | 119.9° | 120.0° |
| C22 | C21 | H21 | 119.9° | 120.0° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| O23 | C25 | H25 | 109.5° | 109.5° |
| O23 | C25 | H25A | 109.5° | 109.5° |
| O23 | C25 | H25B | 109.5° | 109.5° |
| O24 | C26 | C27 | 101.0° | 109.5° |
| O24 | C26 | H26 | 112.4° | 109.5° |
| O24 | C26 | H26A | 112.4° | 109.4° |
| H25 | C25 | H25A | 109.4° | 109.5° |
| H25 | C25 | H25B | 109.5° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.4° |
| C27 | C26 | H26 | 112.4° | 109.5° |
| C27 | C26 | H26A | 112.4° | 109.5° |
| C26 | C27 | C28 | 117.9° | 109.5° |
| C26 | C27 | H27 | 106.8° | 109.5° |
| C26 | C27 | H27A | 106.8° | 109.5° |
| H26 | C26 | H26A | 106.4° | 109.5° |
| C28 | C27 | H27 | 106.8° | 109.5° |
| C28 | C27 | H27A | 106.8° | 109.4° |
| C27 | C28 | N29 | 119.3° | 119.1° |
| C27 | C28 | C31 | 119.1° | 119.1° |
| H27 | C27 | H27A | 112.0° | 109.5° |
| N29 | C28 | C31 | 121.6° | 121.8° |
| C28 | N29 | C33 | 122.3° | 121.3° |
| C28 | C31 | C30 | 119.8° | 119.9° |
| C28 | C31 | H31 | 120.1° | 120.1° |
| N29 | C33 | C32 | 119.5° | 119.8° |
| N29 | C33 | C34 | 120.4° | 121.1° |
| C32 | C30 | C31 | 118.4° | 118.2° |
| C32 | C30 | H30 | 120.8° | 120.9° |
| C30 | C32 | C37 | 122.4° | 121.4° |
| C30 | C32 | C33 | 118.4° | 119.0° |
| C31 | C30 | H30 | 120.8° | 120.9° |
| C30 | C31 | H31 | 120.1° | 120.0° |
| C37 | C32 | C33 | 119.3° | 119.6° |
| C32 | C37 | C36 | 118.9° | 119.6° |
| C32 | C37 | H37 | 120.5° | 120.2° |
| C32 | C33 | C34 | 120.1° | 119.1° |
| C33 | C34 | C35 | 119.1° | 119.7° |
| C33 | C34 | H34 | 120.5° | 120.1° |
| C35 | C34 | H34 | 120.4° | 120.1° |
| C34 | C35 | C36 | 121.4° | 121.1° |
| C34 | C35 | H35 | 119.3° | 119.5° |
| C36 | C35 | H35 | 119.3° | 119.5° |
| C35 | C36 | C37 | 121.1° | 120.8° |
| C35 | C36 | H36 | 119.4° | 119.6° |
| C37 | C36 | H36 | 119.5° | 119.6° |
| C36 | C37 | H37 | 120.5° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C1 | C2 | C4 | 177.6° | 179.7° |
| O23 | C1 | C2 | O24 | 2.7° | 0.3° |
| O23 | C1 | C2 | C3 | 179.4° | 179.7° |
| O23 | C1 | C4 | C5 | 178.6° | 179.7° |
| O23 | C1 | C4 | H4 | 1.4° | 0.3° |
| C1 | O23 | C25 | H25 | 180.0° | 60.0° |
| C1 | O23 | C25 | H25A | 60.0° | 60.1° |
| C1 | O23 | C25 | H25B | 60.0° | 180.0° |
| C1 | C2 | O24 | C3 | 177.9° | 179.9° |
| C1 | C2 | C3 | C6 | 0.7° | 0.1° |
| C1 | C2 | C3 | H3 | 179.3° | 180.0° |
| C2 | C1 | C4 | C5 | 1.2° | 0.0° |
| C2 | C1 | C4 | H4 | 178.8° | 180.0° |
| C2 | C1 | O23 | C25 | 153.8° | 179.7° |
| C1 | C2 | O24 | C26 | 144.8° | 180.0° |
| C4 | C1 | C2 | O24 | 179.7° | 180.0° |
| C4 | C1 | C2 | C3 | 1.8° | 0.0° |
| C1 | C4 | C5 | H4 | 180.0° | 180.0° |
| C1 | C4 | C5 | C6 | 0.4° | 0.0° |
| C1 | C4 | C5 | N10 | 179.6° | 180.0° |
| C4 | C1 | O23 | C25 | 28.7° | 0.0° |
| O24 | C2 | C3 | C6 | 178.5° | 180.0° |
| O24 | C2 | C3 | H3 | 1.5° | 0.1° |
| C2 | O24 | C26 | C27 | 148.3° | 180.0° |
| C2 | O24 | C26 | H26 | 91.7° | 60.0° |
| C2 | O24 | C26 | H26A | 28.3° | 60.0° |
| C2 | C3 | C6 | H3 | 180.0° | 180.0° |
| C2 | C3 | C6 | C5 | 0.9° | 0.0° |
| C2 | C3 | C6 | C7 | 179.7° | 180.0° |
| C3 | C2 | O24 | C26 | 37.3° | 0.1° |
| C3 | C6 | C5 | C4 | 1.4° | 0.0° |
| C3 | C6 | C5 | C7 | 179.4° | 179.9° |
| C3 | C6 | C5 | N10 | 179.4° | 180.0° |
| C3 | C6 | C7 | N11 | 2.4° | 0.1° |
| C3 | C6 | C7 | N8 | 177.9° | 180.0° |
| H3 | C3 | C6 | C5 | 179.1° | 180.0° |
| H3 | C3 | C6 | C7 | 0.3° | 0.1° |
| C4 | C5 | C6 | N10 | 179.2° | 180.0° |
| C4 | C5 | C6 | C7 | 179.2° | 180.0° |
| C4 | C5 | N10 | C9 | 179.7° | 180.0° |
| H4 | C4 | C5 | C6 | 179.6° | 180.0° |
| H4 | C4 | C5 | N10 | 0.4° | 0.0° |
| C5 | C6 | C7 | N11 | 178.2° | 180.0° |
| C5 | C6 | C7 | N8 | 1.5° | 0.0° |
| C6 | C5 | N10 | C9 | 0.4° | 0.0° |
| N10 | C5 | C6 | C7 | 0.1° | 0.0° |
| C5 | N10 | C9 | N8 | 0.5° | 0.0° |
| C5 | N10 | C9 | H9 | 179.5° | 179.9° |
| C6 | C7 | N11 | N8 | 179.7° | 180.0° |
| C6 | C7 | N8 | C9 | 2.5° | 0.0° |
| C6 | C7 | N11 | C16 | 69.3° | 117.9° |
| C6 | C7 | N11 | C12 | 176.5° | 117.9° |
| N11 | C7 | N8 | C9 | 177.2° | 180.0° |
| C7 | N11 | C16 | C12 | 119.7° | 124.1° |
| C7 | N11 | C12 | C13 | 175.7° | 174.2° |
| C7 | N11 | C12 | H12 | 64.3° | 54.1° |
| C7 | N11 | C12 | H12A | 55.7° | 65.8° |
| C7 | N11 | C16 | C15 | 169.0° | 174.2° |
| C7 | N11 | C16 | H16 | 70.9° | 65.8° |
| C7 | N11 | C16 | H16A | 49.0° | 54.1° |
| C7 | N8 | C9 | N10 | 2.1° | 0.0° |
| C7 | N8 | C9 | H9 | 177.9° | 179.9° |
| N8 | C7 | N11 | C16 | 110.4° | 62.1° |
| N8 | C7 | N11 | C12 | 3.8° | 62.1° |
| N8 | C9 | N10 | H9 | 180.0° | 179.9° |
| C16 | N11 | C12 | C13 | 61.8° | 61.7° |
| C16 | N11 | C12 | H12 | 178.2° | 178.2° |
| C16 | N11 | C12 | H12A | 58.2° | 58.3° |
| N11 | C16 | C15 | C14 | 67.8° | 59.1° |
| N11 | C16 | C15 | C17 | 165.1° | 179.1° |
| N11 | C16 | C15 | H16 | 120.0° | 120.0° |
| N11 | C16 | C15 | H16A | 120.0° | 120.0° |
| N11 | C16 | C15 | H15 | 50.3° | 60.7° |
| N11 | C16 | H16 | H16A | 119.9° | 120.0° |
| N11 | C12 | C13 | H12 | 120.0° | 120.0° |
| N11 | C12 | C13 | H12A | 120.0° | 120.0° |
| N11 | C12 | H12 | H12A | 119.0° | 119.9° |
| N11 | C12 | C13 | C14 | 51.6° | 59.2° |
| N11 | C12 | C13 | H13 | 68.4° | 60.8° |
| N11 | C12 | C13 | H13A | 171.5° | 179.1° |
| C12 | N11 | C16 | C15 | 71.3° | 61.7° |
| C12 | N11 | C16 | H16 | 48.7° | 58.3° |
| C12 | N11 | C16 | H16A | 168.7° | 178.2° |
| C13 | C12 | H12 | H12A | 119.0° | 120.0° |
| C12 | C13 | C14 | H13 | 120.0° | 119.9° |
| C12 | C13 | C14 | H13A | 120.0° | 120.0° |
| C12 | C13 | H13 | H13A | 118.6° | 120.1° |
| C12 | C13 | C14 | C15 | 46.2° | 57.6° |
| C12 | C13 | C14 | H14 | 166.2° | 177.6° |
| C12 | C13 | C14 | H14A | 73.8° | 62.4° |
| H12 | C12 | C13 | C14 | 171.5° | 179.2° |
| H12 | C12 | C13 | H13 | 51.6° | 59.3° |
| H12 | C12 | C13 | H13A | 68.5° | 60.9° |
| H12A | C12 | C13 | C14 | 68.5° | 60.8° |
| H12A | C12 | C13 | H13 | 171.6° | 179.2° |
| H12A | C12 | C13 | H13A | 51.5° | 59.1° |
| C14 | C13 | H13 | H13A | 118.6° | 120.1° |
| C13 | C14 | C15 | H14 | 120.0° | 119.9° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14A | 119.6° | 120.1° |
| C13 | C14 | C15 | C17 | 178.4° | 177.6° |
| C13 | C14 | C15 | C16 | 53.0° | 57.6° |
| C13 | C14 | C15 | H15 | 67.0° | 62.3° |
| H13 | C13 | C14 | C15 | 73.8° | 62.3° |
| H13 | C13 | C14 | H14 | 46.2° | 57.6° |
| H13 | C13 | C14 | H14A | 166.2° | 177.7° |
| H13A | C13 | C14 | C15 | 166.2° | 177.6° |
| H13A | C13 | C14 | H14 | 73.8° | 62.5° |
| H13A | C13 | C14 | H14A | 46.1° | 57.6° |
| C15 | C14 | H14 | H14A | 119.7° | 120.2° |
| C14 | C15 | C17 | C16 | 123.1° | 119.8° |
| C14 | C15 | C17 | H15 | 117.3° | 120.1° |
| C14 | C15 | C16 | H15 | 118.0° | 119.9° |
| C14 | C15 | C16 | H16 | 52.2° | 60.9° |
| C14 | C15 | C16 | H16A | 172.3° | 179.2° |
| C14 | C15 | C17 | C18 | 146.7° | 60.3° |
| C14 | C15 | C17 | C22 | 32.9° | 120.0° |
| H14 | C14 | C15 | C17 | 61.6° | 62.4° |
| H14 | C14 | C15 | C16 | 173.0° | 177.6° |
| H14 | C14 | C15 | H15 | 53.0° | 57.7° |
| H14A | C14 | C15 | C17 | 58.4° | 57.6° |
| H14A | C14 | C15 | C16 | 67.0° | 62.4° |
| H14A | C14 | C15 | H15 | 173.0° | 177.7° |
| C17 | C15 | C16 | H15 | 114.9° | 120.1° |
| C17 | C15 | C16 | H16 | 74.9° | 59.1° |
| C17 | C15 | C16 | H16A | 45.2° | 60.8° |
| C15 | C17 | C18 | C22 | 179.6° | 179.7° |
| C15 | C17 | C18 | C19 | 179.3° | 180.0° |
| C15 | C17 | C18 | H18 | 0.7° | 0.0° |
| C15 | C17 | C22 | C21 | 179.1° | 179.8° |
| C15 | C17 | C22 | H22 | 0.9° | 0.0° |
| C15 | C16 | H16 | H16A | 120.0° | 120.0° |
| C16 | C15 | C17 | C18 | 90.3° | 59.5° |
| C16 | C15 | C17 | C22 | 90.1° | 120.2° |
| H15 | C15 | C16 | H16 | 170.2° | 179.2° |
| H15 | C15 | C16 | H16A | 69.7° | 59.3° |
| H15 | C15 | C17 | C18 | 29.4° | 179.6° |
| H15 | C15 | C17 | C22 | 150.2° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.5° | 0.0° |
| C17 | C18 | C19 | H19 | 179.5° | 180.0° |
| C18 | C17 | C22 | C21 | 0.5° | 0.5° |
| C18 | C17 | C22 | H22 | 179.5° | 179.7° |
| C22 | C17 | C18 | C19 | 0.3° | 0.3° |
| C22 | C17 | C18 | H18 | 179.7° | 179.7° |
| C17 | C22 | C21 | C20 | 0.8° | 0.5° |
| C17 | C22 | C21 | H22 | 180.0° | 179.8° |
| C17 | C22 | C21 | H21 | 179.2° | 179.7° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.8° | 0.0° |
| C18 | C19 | C20 | H20 | 179.2° | 180.0° |
| H18 | C18 | C19 | C20 | 179.5° | 180.0° |
| H18 | C18 | C19 | H19 | 0.5° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 1.0° | 0.2° |
| C19 | C20 | C21 | H21 | 179.0° | 180.0° |
| H19 | C19 | C20 | C21 | 179.2° | 180.0° |
| H19 | C19 | C20 | H20 | 0.8° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.8° |
| C20 | C21 | C22 | H22 | 179.2° | 179.8° |
| H20 | C20 | C21 | C22 | 179.1° | 179.8° |
| H20 | C20 | C21 | H21 | 0.9° | 0.0° |
| H21 | C21 | C22 | H22 | 0.8° | 0.0° |
| O23 | C25 | H25 | H25A | 120.0° | 120.0° |
| O23 | C25 | H25 | H25B | 120.0° | 120.0° |
| O23 | C25 | H25A | H25B | 120.0° | 120.0° |
| O24 | C26 | C27 | H26 | 120.0° | 120.0° |
| O24 | C26 | C27 | H26A | 120.0° | 120.0° |
| O24 | C26 | H26 | H26A | 123.4° | 120.0° |
| O24 | C26 | C27 | C28 | 170.1° | 180.0° |
| O24 | C26 | C27 | H27 | 69.9° | 60.0° |
| O24 | C26 | C27 | H27A | 50.1° | 60.0° |
| H25 | C25 | H25A | H25B | 120.0° | 120.0° |
| C27 | C26 | H26 | H26A | 123.4° | 120.0° |
| C26 | C27 | C28 | H27 | 120.0° | 120.0° |
| C26 | C27 | C28 | H27A | 120.0° | 120.0° |
| C26 | C27 | H27 | H27A | 116.5° | 120.0° |
| C26 | C27 | C28 | N29 | 72.4° | 55.0° |
| C26 | C27 | C28 | C31 | 109.8° | 124.7° |
| H26 | C26 | C27 | C28 | 50.0° | 60.0° |
| H26 | C26 | C27 | H27 | 170.0° | 180.0° |
| H26 | C26 | C27 | H27A | 70.0° | 60.0° |
| H26A | C26 | C27 | C28 | 69.9° | 60.0° |
| H26A | C26 | C27 | H27 | 50.1° | 60.0° |
| H26A | C26 | C27 | H27A | 170.1° | 180.0° |
| C28 | C27 | H27 | H27A | 116.5° | 120.0° |
| C27 | C28 | N29 | C31 | 177.8° | 179.7° |
| C27 | C28 | N29 | C33 | 179.7° | 180.0° |
| C27 | C28 | C31 | C30 | 178.2° | 180.0° |
| C27 | C28 | C31 | H31 | 1.9° | 0.0° |
| H27 | C27 | C28 | N29 | 167.6° | 175.0° |
| H27 | C27 | C28 | C31 | 10.2° | 4.7° |
| H27A | C27 | C28 | N29 | 47.6° | 65.0° |
| H27A | C27 | C28 | C31 | 130.2° | 115.3° |
| N29 | C28 | C31 | C30 | 0.4° | 0.3° |
| N29 | C28 | C31 | H31 | 179.6° | 179.7° |
| C28 | N29 | C33 | C32 | 2.4° | 0.0° |
| C28 | N29 | C33 | C34 | 178.9° | 179.7° |
| C31 | C28 | N29 | C33 | 1.9° | 0.3° |
| C28 | C31 | C30 | C32 | 0.6° | 0.0° |
| C28 | C31 | C30 | H31 | 180.0° | 179.9° |
| C28 | C31 | C30 | H30 | 179.4° | 180.0° |
| N29 | C33 | C32 | C30 | 1.4° | 0.3° |
| N29 | C33 | C32 | C37 | 179.0° | 179.8° |
| N29 | C33 | C32 | C34 | 178.7° | 179.7° |
| N29 | C33 | C34 | C35 | 178.1° | 179.7° |
| N29 | C33 | C34 | H34 | 1.9° | 0.3° |
| C32 | C30 | C31 | H30 | 180.0° | 179.9° |
| C32 | C30 | C31 | H31 | 179.4° | 180.0° |
| C30 | C32 | C37 | C33 | 179.7° | 180.0° |
| C30 | C32 | C33 | C34 | 179.9° | 180.0° |
| C30 | C32 | C37 | C36 | 180.0° | 180.0° |
| C30 | C32 | C37 | H37 | 0.0° | 0.0° |
| C31 | C30 | C32 | C37 | 179.6° | 179.8° |
| C31 | C30 | C32 | C33 | 0.1° | 0.2° |
| H30 | C30 | C31 | H31 | 0.6° | 0.1° |
| H30 | C30 | C32 | C37 | 0.4° | 0.3° |
| H30 | C30 | C32 | C33 | 179.9° | 179.7° |
| C37 | C32 | C33 | C34 | 0.2° | 0.0° |
| C32 | C37 | C36 | C35 | 0.4° | 0.0° |
| C32 | C37 | C36 | H37 | 180.0° | 180.0° |
| C32 | C37 | C36 | H36 | 179.6° | 180.0° |
| C32 | C33 | C34 | C35 | 0.6° | 0.0° |
| C32 | C33 | C34 | H34 | 179.4° | 180.0° |
| C33 | C32 | C37 | C36 | 0.3° | 0.1° |
| C33 | C32 | C37 | H37 | 179.7° | 180.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 1.3° | 0.1° |
| C33 | C34 | C35 | H35 | 178.7° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 1.2° | 0.0° |
| C34 | C35 | C36 | H36 | 178.8° | 180.0° |
| H34 | C34 | C35 | C36 | 178.7° | 180.0° |
| H34 | C34 | C35 | H35 | 1.4° | 0.1° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | H37 | 179.6° | 180.0° |
| H35 | C35 | C36 | C37 | 178.7° | 180.0° |
| H35 | C35 | C36 | H36 | 1.3° | 0.1° |
| H36 | C36 | C37 | H37 | 0.4° | 0.0° |
