2KF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O37 | S36 | doub | 1.42Å | 1.42Å | |
| C41 | C39 | sing | 1.53Å | 1.51Å | |
| C39 | S36 | sing | 1.81Å | 1.79Å | |
| C39 | C40 | sing | 1.53Å | 1.51Å | |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.43Å | Aromatic |
| S36 | C35 | sing | 1.76Å | 1.69Å | |
| S36 | O38 | doub | 1.42Å | 1.42Å | |
| C33 | C32 | sing | 1.38Å | 1.42Å | Aromatic |
| C35 | C30 | doub | 1.38Å | 1.46Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C29 | sing | 1.51Å | 1.55Å | |
| C28 | C27 | sing | 1.53Å | 1.45Å | |
| O15 | C14 | doub | 1.21Å | 1.25Å | |
| C27 | O22 | sing | 1.43Å | 1.44Å | |
| C29 | N16 | sing | 1.46Å | 1.46Å | |
| O22 | C18 | sing | 1.36Å | 1.40Å | |
| C14 | N16 | sing | 1.35Å | 1.40Å | |
| C14 | C12 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.44Å | Aromatic |
| N11 | C12 | sing | 1.47Å | 1.46Å | |
| N11 | C9 | sing | 1.39Å | 1.39Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.46Å | Aromatic |
| C8 | C7 | sing | 1.36Å | 1.37Å | Aromatic |
| C19 | O23 | sing | 1.36Å | 1.40Å | |
| C19 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
| O23 | C24 | sing | 1.43Å | 1.45Å | |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.49Å | |
| C7 | C4 | doub | 1.40Å | 1.44Å | Aromatic |
| C24 | C26 | sing | 1.53Å | 1.51Å | |
| C10 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.45Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.44Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.43Å | Aromatic |
| N42 | C3 | sing | 1.38Å | 1.39Å | |
| C3 | N2 | doub | 1.32Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.36Å | 1.39Å | Aromatic |
| N2 | C1 | sing | 1.33Å | 1.37Å | Aromatic |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C34 | H6 | sing | 1.08Å | 1.08Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C27 | H8 | sing | 1.09Å | 1.10Å | |
| C33 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| N11 | H15 | sing | 0.97Å | 1.00Å | |
| N16 | H16 | sing | 0.97Å | 1.00Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å | |
| C40 | H32 | sing | 1.09Å | 1.10Å | |
| C40 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C41 | H35 | sing | 1.09Å | 1.10Å | |
| C41 | H36 | sing | 1.09Å | 1.10Å | |
| N42 | H37 | sing | 0.97Å | 1.00Å | |
| N42 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O37 | S36 | C39 | 105.1° | 110.6° |
| O37 | S36 | C35 | 108.2° | 104.2° |
| O37 | S36 | O38 | 115.7° | 121.0° |
| C41 | C39 | S36 | 110.0° | 109.5° |
| C41 | C39 | C40 | 105.8° | 109.5° |
| C41 | C39 | H30 | 108.7° | 109.4° |
| C39 | C41 | H34 | 109.5° | 109.5° |
| C39 | C41 | H35 | 109.5° | 109.4° |
| C39 | C41 | H36 | 109.5° | 109.4° |
| S36 | C39 | C40 | 117.7° | 109.5° |
| C39 | S36 | C35 | 106.3° | 104.4° |
| C39 | S36 | O38 | 109.2° | 110.6° |
| S36 | C39 | H30 | 105.7° | 109.5° |
| C40 | C39 | H30 | 108.7° | 109.5° |
| C39 | C40 | H31 | 109.5° | 109.4° |
| C39 | C40 | H32 | 109.5° | 109.5° |
| C39 | C40 | H33 | 109.5° | 109.4° |
| C33 | C34 | C35 | 122.8° | 120.0° |
| C34 | C33 | C32 | 119.6° | 120.0° |
| C33 | C34 | H6 | 118.6° | 120.0° |
| C34 | C33 | H9 | 120.2° | 119.9° |
| C34 | C35 | S36 | 116.7° | 120.0° |
| C34 | C35 | C30 | 116.2° | 120.0° |
| C35 | C34 | H6 | 118.6° | 120.0° |
| C35 | S36 | O38 | 111.8° | 104.3° |
| S36 | C35 | C30 | 127.1° | 120.0° |
| C33 | C32 | C31 | 119.7° | 120.0° |
| C32 | C33 | H9 | 120.2° | 120.0° |
| C33 | C32 | H29 | 120.1° | 120.0° |
| C35 | C30 | C31 | 120.3° | 120.0° |
| C35 | C30 | C29 | 123.3° | 120.0° |
| C32 | C31 | C30 | 121.4° | 120.0° |
| C32 | C31 | H28 | 119.3° | 120.0° |
| C31 | C32 | H29 | 120.2° | 120.0° |
| C31 | C30 | C29 | 116.4° | 120.0° |
| C30 | C31 | H28 | 119.3° | 120.0° |
| C30 | C29 | N16 | 112.9° | 109.5° |
| C30 | C29 | H26 | 108.6° | 109.5° |
| C30 | C29 | H27 | 108.6° | 109.5° |
| C28 | C27 | O22 | 107.4° | 109.5° |
| C28 | C27 | H7 | 110.0° | 109.4° |
| C28 | C27 | H8 | 110.0° | 109.4° |
| C27 | C28 | H23 | 109.5° | 109.4° |
| C27 | C28 | H24 | 109.5° | 109.5° |
| C27 | C28 | H25 | 109.5° | 109.5° |
| O15 | C14 | N16 | 123.6° | 120.0° |
| O15 | C14 | C12 | 123.3° | 120.0° |
| C27 | O22 | C18 | 117.2° | 117.0° |
| O22 | C27 | H7 | 110.0° | 109.5° |
| O22 | C27 | H8 | 110.0° | 109.5° |
| C29 | N16 | C14 | 120.1° | 120.0° |
| C29 | N16 | H16 | 119.9° | 120.0° |
| N16 | C29 | H26 | 108.6° | 109.5° |
| N16 | C29 | H27 | 108.6° | 109.5° |
| O22 | C18 | C17 | 121.0° | 120.1° |
| O22 | C18 | C19 | 118.8° | 120.1° |
| N16 | C14 | C12 | 113.1° | 120.0° |
| C14 | N16 | H16 | 120.0° | 120.0° |
| C14 | C12 | N11 | 109.2° | 109.5° |
| C14 | C12 | C13 | 111.0° | 109.5° |
| C14 | C12 | H5 | 107.6° | 109.5° |
| C18 | C17 | C13 | 119.5° | 120.0° |
| C17 | C18 | C19 | 120.2° | 119.8° |
| C18 | C17 | H1 | 120.3° | 120.0° |
| C17 | C13 | C12 | 118.8° | 119.9° |
| C17 | C13 | C21 | 121.5° | 120.2° |
| C13 | C17 | H1 | 120.2° | 120.0° |
| C18 | C19 | O23 | 115.2° | 120.0° |
| C18 | C19 | C20 | 119.2° | 119.9° |
| C12 | N11 | C9 | 121.6° | 120.0° |
| N11 | C12 | C13 | 113.3° | 109.5° |
| N11 | C12 | H5 | 108.2° | 109.5° |
| C12 | N11 | H15 | 106.4° | 120.0° |
| N11 | C9 | C8 | 116.0° | 119.7° |
| N11 | C9 | C10 | 123.2° | 119.7° |
| C9 | N11 | H15 | 106.4° | 120.0° |
| C12 | C13 | C21 | 119.7° | 119.9° |
| C13 | C12 | H5 | 107.5° | 109.5° |
| C13 | C21 | C20 | 120.6° | 120.2° |
| C13 | C21 | H3 | 119.7° | 120.0° |
| C9 | C8 | C7 | 120.2° | 121.0° |
| C8 | C9 | C10 | 120.8° | 120.6° |
| C9 | C8 | H13 | 119.9° | 119.5° |
| C8 | C7 | C4 | 119.6° | 119.7° |
| C8 | C7 | H12 | 120.2° | 120.1° |
| C7 | C8 | H13 | 119.9° | 119.4° |
| O23 | C19 | C20 | 125.6° | 120.1° |
| C19 | O23 | C24 | 122.3° | 116.9° |
| C19 | C20 | C21 | 119.1° | 120.0° |
| C19 | C20 | H2 | 120.5° | 120.0° |
| O23 | C24 | C25 | 105.2° | 109.5° |
| O23 | C24 | C26 | 112.4° | 109.5° |
| O23 | C24 | H4 | 109.4° | 109.5° |
| C9 | C10 | C5 | 119.4° | 119.4° |
| C9 | C10 | H14 | 120.3° | 120.3° |
| C21 | C20 | H2 | 120.5° | 120.0° |
| C20 | C21 | H3 | 119.7° | 119.9° |
| C25 | C24 | C26 | 112.3° | 109.4° |
| C25 | C24 | H4 | 108.9° | 109.4° |
| C24 | C25 | H17 | 109.5° | 109.5° |
| C24 | C25 | H18 | 109.5° | 109.5° |
| C24 | C25 | H19 | 109.5° | 109.5° |
| C7 | C4 | C5 | 120.0° | 119.7° |
| C7 | C4 | C3 | 123.6° | 121.9° |
| C4 | C7 | H12 | 120.2° | 120.1° |
| C26 | C24 | H4 | 108.6° | 109.4° |
| C24 | C26 | H20 | 109.5° | 109.4° |
| C24 | C26 | H21 | 109.4° | 109.4° |
| C24 | C26 | H22 | 109.5° | 109.5° |
| C10 | C5 | C4 | 119.9° | 119.6° |
| C10 | C5 | C6 | 119.8° | 122.1° |
| C5 | C10 | H14 | 120.3° | 120.3° |
| C5 | C4 | C3 | 116.3° | 118.4° |
| C4 | C5 | C6 | 120.3° | 118.3° |
| C4 | C3 | N42 | 120.8° | 120.1° |
| C4 | C3 | N2 | 122.6° | 119.8° |
| C5 | C6 | C1 | 118.8° | 118.9° |
| C5 | C6 | H11 | 120.6° | 120.6° |
| N42 | C3 | N2 | 116.6° | 120.1° |
| C3 | N42 | H37 | 109.5° | 120.0° |
| C3 | N42 | H38 | 109.4° | 120.0° |
| C3 | N2 | C1 | 118.3° | 122.7° |
| C6 | C1 | N2 | 123.7° | 121.9° |
| C6 | C1 | H10 | 118.2° | 119.1° |
| C1 | C6 | H11 | 120.6° | 120.5° |
| N2 | C1 | H10 | 118.2° | 119.0° |
| H7 | C27 | H8 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H17 | C25 | H19 | 109.4° | 109.4° |
| H18 | C25 | H19 | 109.5° | 109.4° |
| H20 | C26 | H21 | 109.5° | 109.4° |
| H20 | C26 | H22 | 109.5° | 109.5° |
| H21 | C26 | H22 | 109.5° | 109.5° |
| H23 | C28 | H24 | 109.5° | 109.5° |
| H23 | C28 | H25 | 109.5° | 109.4° |
| H24 | C28 | H25 | 109.5° | 109.5° |
| H26 | C29 | H27 | 109.5° | 109.4° |
| H31 | C40 | H32 | 109.5° | 109.5° |
| H31 | C40 | H33 | 109.4° | 109.5° |
| H32 | C40 | H33 | 109.5° | 109.5° |
| H34 | C41 | H35 | 109.5° | 109.5° |
| H34 | C41 | H36 | 109.5° | 109.5° |
| H35 | C41 | H36 | 109.4° | 109.4° |
| H37 | N42 | H38 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O37 | S36 | C39 | C41 | 78.7° | 165.7° |
| O37 | S36 | C39 | C35 | 114.5° | 111.6° |
| O37 | S36 | C39 | O38 | 124.7° | 136.8° |
| O37 | S36 | C39 | C40 | 160.1° | 74.3° |
| O37 | S36 | C35 | C34 | 28.4° | 132.2° |
| O37 | S36 | C35 | O38 | 128.6° | 127.8° |
| O37 | S36 | C35 | C30 | 149.5° | 47.8° |
| O37 | S36 | C39 | H30 | 38.5° | 45.8° |
| C41 | C39 | S36 | C40 | 121.2° | 120.0° |
| C41 | C39 | S36 | H30 | 117.2° | 120.0° |
| C41 | C39 | C40 | H30 | 116.6° | 119.9° |
| C41 | C39 | S36 | C35 | 166.8° | 54.1° |
| C41 | C39 | S36 | O38 | 46.0° | 57.5° |
| C41 | C39 | C40 | H31 | 180.0° | 60.0° |
| C41 | C39 | C40 | H32 | 60.0° | 60.0° |
| C41 | C39 | C40 | H33 | 60.0° | 180.0° |
| C39 | C41 | H34 | H35 | 120.0° | 120.0° |
| C39 | C41 | H34 | H36 | 120.0° | 120.0° |
| C39 | C41 | H35 | H36 | 120.0° | 119.9° |
| S36 | C39 | C40 | H30 | 120.0° | 120.1° |
| C39 | S36 | C35 | C34 | 84.0° | 111.8° |
| C39 | S36 | C35 | O38 | 119.0° | 116.1° |
| C39 | S36 | C35 | C30 | 98.1° | 68.3° |
| S36 | C39 | C40 | H31 | 56.6° | 60.0° |
| S36 | C39 | C40 | H32 | 176.6° | 180.0° |
| S36 | C39 | C40 | H33 | 63.4° | 60.0° |
| S36 | C39 | C41 | H34 | 180.0° | 60.0° |
| S36 | C39 | C41 | H35 | 60.0° | 179.9° |
| S36 | C39 | C41 | H36 | 60.0° | 60.0° |
| C40 | C39 | S36 | C35 | 45.5° | 174.1° |
| C40 | C39 | S36 | O38 | 75.2° | 62.5° |
| C39 | C40 | H31 | H32 | 120.0° | 120.0° |
| C39 | C40 | H31 | H33 | 120.0° | 119.9° |
| C39 | C40 | H32 | H33 | 120.0° | 120.0° |
| C40 | C39 | C41 | H34 | 51.8° | 180.0° |
| C40 | C39 | C41 | H35 | 171.9° | 59.9° |
| C40 | C39 | C41 | H36 | 68.2° | 60.0° |
| C33 | C34 | C35 | H6 | 180.0° | 179.8° |
| C33 | C34 | C35 | S36 | 178.1° | 180.0° |
| C34 | C33 | C32 | H9 | 180.0° | 180.0° |
| C33 | C34 | C35 | C30 | 0.0° | 0.0° |
| C34 | C33 | C32 | C31 | 0.3° | 0.0° |
| C34 | C33 | C32 | H29 | 179.7° | 180.0° |
| C34 | C35 | S36 | C30 | 177.9° | 179.9° |
| C34 | C35 | S36 | O38 | 157.0° | 4.4° |
| C35 | C34 | C33 | C32 | 0.3° | 0.0° |
| C34 | C35 | C30 | C31 | 0.4° | 0.0° |
| C34 | C35 | C30 | C29 | 179.9° | 180.0° |
| C35 | C34 | C33 | H9 | 179.7° | 180.0° |
| S36 | C35 | C30 | C31 | 177.5° | 180.0° |
| S36 | C35 | C30 | C29 | 2.0° | 0.0° |
| S36 | C35 | C34 | H6 | 1.9° | 0.2° |
| C35 | S36 | C39 | H30 | 76.0° | 65.8° |
| O38 | S36 | C35 | C30 | 20.9° | 175.6° |
| O38 | S36 | C39 | H30 | 163.2° | 177.4° |
| C33 | C32 | C31 | H29 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.0° | 0.0° |
| C32 | C33 | C34 | H6 | 179.7° | 179.7° |
| C33 | C32 | C31 | H28 | 180.0° | 180.0° |
| C35 | C30 | C31 | C32 | 0.4° | 0.0° |
| C35 | C30 | C31 | C29 | 179.5° | 180.0° |
| C35 | C30 | C29 | N16 | 149.4° | 85.2° |
| C30 | C35 | C34 | H6 | 180.0° | 179.7° |
| C35 | C30 | C29 | H26 | 28.9° | 34.8° |
| C35 | C30 | C29 | H27 | 90.1° | 154.7° |
| C35 | C30 | C31 | H28 | 179.6° | 180.0° |
| C32 | C31 | C30 | H28 | 180.0° | 179.9° |
| C32 | C31 | C30 | C29 | 179.9° | 180.0° |
| C31 | C32 | C33 | H9 | 179.7° | 180.0° |
| C31 | C30 | C29 | N16 | 31.1° | 94.8° |
| C31 | C30 | C29 | H26 | 151.6° | 145.2° |
| C31 | C30 | C29 | H27 | 89.4° | 25.3° |
| C30 | C31 | C32 | H29 | 180.0° | 180.0° |
| C30 | C29 | N16 | H26 | 120.5° | 120.0° |
| C30 | C29 | N16 | H27 | 120.5° | 120.1° |
| C30 | C29 | N16 | C14 | 64.4° | 180.0° |
| C30 | C29 | N16 | H16 | 115.6° | 0.1° |
| C30 | C29 | H26 | H27 | 118.4° | 120.0° |
| C29 | C30 | C31 | H28 | 0.1° | 0.0° |
| C28 | C27 | O22 | H7 | 119.7° | 120.0° |
| C28 | C27 | O22 | H8 | 119.7° | 119.9° |
| C28 | C27 | O22 | C18 | 170.5° | 180.0° |
| C28 | C27 | H7 | H8 | 120.9° | 119.9° |
| C27 | C28 | H23 | H24 | 120.0° | 120.0° |
| C27 | C28 | H23 | H25 | 120.0° | 120.0° |
| C27 | C28 | H24 | H25 | 120.0° | 120.0° |
| O15 | C14 | N16 | C29 | 6.7° | 0.0° |
| O15 | C14 | N16 | C12 | 179.2° | 180.0° |
| O15 | C14 | C12 | N11 | 18.9° | 0.0° |
| O15 | C14 | C12 | C13 | 106.7° | 120.0° |
| O15 | C14 | C12 | H5 | 136.0° | 120.0° |
| O15 | C14 | N16 | H16 | 173.3° | 179.9° |
| C27 | O22 | C18 | C17 | 12.3° | 0.1° |
| C27 | O22 | C18 | C19 | 167.3° | 180.0° |
| O22 | C27 | H7 | H8 | 121.0° | 120.1° |
| O22 | C27 | C28 | H23 | 180.0° | 60.0° |
| O22 | C27 | C28 | H24 | 60.0° | 180.0° |
| O22 | C27 | C28 | H25 | 60.0° | 60.0° |
| C29 | N16 | C14 | H16 | 180.0° | 179.9° |
| C29 | N16 | C14 | C12 | 172.5° | 180.0° |
| N16 | C29 | H26 | H27 | 118.4° | 120.0° |
| O22 | C18 | C17 | C19 | 179.6° | 179.9° |
| O22 | C18 | C17 | C13 | 179.7° | 180.0° |
| O22 | C18 | C19 | O23 | 0.3° | 0.0° |
| O22 | C18 | C19 | C20 | 179.3° | 180.0° |
| O22 | C18 | C17 | H1 | 0.3° | 0.1° |
| C18 | O22 | C27 | H7 | 50.9° | 60.0° |
| C18 | O22 | C27 | H8 | 69.8° | 60.0° |
| N16 | C14 | C12 | N11 | 162.0° | 180.0° |
| N16 | C14 | C12 | C13 | 72.5° | 60.0° |
| N16 | C14 | C12 | H5 | 44.8° | 60.0° |
| C14 | N16 | C29 | H26 | 56.1° | 60.0° |
| C14 | N16 | C29 | H27 | 175.1° | 59.9° |
| C14 | C12 | C13 | C17 | 62.6° | 99.7° |
| C14 | C12 | N11 | C13 | 124.2° | 120.0° |
| C14 | C12 | N11 | H5 | 116.7° | 120.0° |
| C14 | C12 | N11 | C9 | 159.8° | 155.0° |
| C14 | C12 | C13 | H5 | 117.4° | 120.0° |
| C14 | C12 | C13 | C21 | 115.7° | 80.0° |
| C14 | C12 | N11 | H15 | 78.5° | 25.0° |
| C12 | C14 | N16 | H16 | 7.5° | 0.1° |
| C18 | C17 | C13 | H1 | 180.0° | 180.0° |
| C18 | C17 | C13 | C12 | 177.4° | 179.7° |
| C18 | C17 | C13 | C21 | 0.8° | 0.0° |
| C17 | C18 | C19 | O23 | 179.3° | 179.9° |
| C17 | C18 | C19 | C20 | 0.2° | 0.0° |
| C13 | C17 | C18 | C19 | 0.2° | 0.0° |
| C17 | C13 | C12 | N11 | 60.6° | 140.3° |
| C17 | C13 | C12 | C21 | 178.2° | 179.7° |
| C17 | C13 | C21 | C20 | 1.0° | 0.0° |
| C17 | C13 | C21 | H3 | 179.0° | 180.0° |
| C17 | C13 | C12 | H5 | 179.9° | 20.3° |
| C18 | C19 | O23 | C20 | 179.0° | 180.0° |
| C18 | C19 | O23 | C24 | 173.0° | 175.8° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C19 | C18 | C17 | H1 | 179.9° | 180.0° |
| C18 | C19 | C20 | H2 | 180.0° | 179.9° |
| C12 | N11 | C9 | H15 | 121.7° | 180.0° |
| N11 | C12 | C13 | H5 | 119.4° | 120.0° |
| N11 | C12 | C13 | C21 | 121.1° | 40.0° |
| C12 | N11 | C9 | C8 | 171.6° | 0.1° |
| C12 | N11 | C9 | C10 | 7.7° | 179.7° |
| C9 | N11 | C12 | C13 | 76.0° | 85.0° |
| N11 | C9 | C8 | C10 | 179.2° | 179.8° |
| N11 | C9 | C8 | C7 | 177.5° | 180.0° |
| N11 | C9 | C10 | C5 | 179.5° | 179.7° |
| C9 | N11 | C12 | H5 | 43.0° | 35.0° |
| N11 | C9 | C8 | H13 | 2.5° | 0.2° |
| N11 | C9 | C10 | H14 | 0.5° | 0.3° |
| C12 | C13 | C21 | C20 | 177.1° | 179.7° |
| C12 | C13 | C17 | H1 | 2.6° | 0.3° |
| C12 | C13 | C21 | H3 | 2.9° | 0.3° |
| C13 | C12 | N11 | H15 | 45.7° | 95.0° |
| C13 | C21 | C20 | C19 | 0.6° | 0.0° |
| C13 | C21 | C20 | H3 | 180.0° | 180.0° |
| C21 | C13 | C17 | H1 | 179.2° | 180.0° |
| C13 | C21 | C20 | H2 | 179.4° | 179.9° |
| C21 | C13 | C12 | H5 | 1.7° | 160.0° |
| C9 | C8 | C7 | H13 | 180.0° | 179.7° |
| C9 | C8 | C7 | C4 | 2.2° | 0.0° |
| C8 | C9 | C10 | C5 | 0.3° | 0.5° |
| C9 | C8 | C7 | H12 | 177.8° | 179.9° |
| C8 | C9 | C10 | H14 | 179.7° | 179.9° |
| C8 | C9 | N11 | H15 | 49.9° | 180.0° |
| C7 | C8 | C9 | C10 | 1.8° | 0.2° |
| C8 | C7 | C4 | H12 | 180.0° | 179.9° |
| C8 | C7 | C4 | C5 | 0.6° | 0.1° |
| C8 | C7 | C4 | C3 | 176.5° | 179.7° |
| O23 | C19 | C20 | C21 | 179.0° | 180.0° |
| C19 | O23 | C24 | C25 | 160.3° | 156.3° |
| C19 | O23 | C24 | C26 | 77.2° | 83.7° |
| O23 | C19 | C20 | H2 | 1.0° | 0.0° |
| C19 | O23 | C24 | H4 | 43.5° | 36.3° |
| C20 | C19 | O23 | C24 | 6.0° | 4.2° |
| C19 | C20 | C21 | H2 | 180.0° | 179.9° |
| C19 | C20 | C21 | H3 | 179.4° | 180.0° |
| O23 | C24 | C25 | C26 | 122.5° | 120.0° |
| O23 | C24 | C25 | H4 | 117.2° | 120.1° |
| O23 | C24 | C26 | H4 | 121.2° | 120.1° |
| O23 | C24 | C25 | H17 | 180.0° | 180.0° |
| O23 | C24 | C25 | H18 | 60.0° | 60.0° |
| O23 | C24 | C25 | H19 | 60.0° | 60.0° |
| O23 | C24 | C26 | H20 | 180.0° | 59.9° |
| O23 | C24 | C26 | H21 | 60.0° | 60.0° |
| O23 | C24 | C26 | H22 | 60.0° | 180.0° |
| C9 | C10 | C5 | H14 | 180.0° | 179.4° |
| C9 | C10 | C5 | C4 | 1.8° | 0.6° |
| C9 | C10 | C5 | C6 | 176.6° | 179.8° |
| C10 | C9 | C8 | H13 | 178.2° | 180.0° |
| C10 | C9 | N11 | H15 | 129.3° | 0.2° |
| C25 | C24 | C26 | H4 | 120.5° | 119.9° |
| C24 | C25 | H17 | H18 | 120.0° | 120.1° |
| C24 | C25 | H17 | H19 | 120.0° | 120.0° |
| C24 | C25 | H18 | H19 | 120.0° | 120.0° |
| C25 | C24 | C26 | H20 | 61.7° | 60.1° |
| C25 | C24 | C26 | H21 | 58.3° | 180.0° |
| C25 | C24 | C26 | H22 | 178.3° | 60.0° |
| C7 | C4 | C5 | C10 | 1.4° | 0.4° |
| C7 | C4 | C5 | C3 | 177.3° | 179.6° |
| C7 | C4 | C5 | C6 | 177.0° | 180.0° |
| C7 | C4 | C3 | N42 | 1.9° | 0.4° |
| C7 | C4 | C3 | N2 | 176.9° | 179.7° |
| C4 | C7 | C8 | H13 | 177.9° | 179.8° |
| C26 | C24 | C25 | H17 | 57.5° | 59.9° |
| C26 | C24 | C25 | H18 | 177.5° | 180.0° |
| C26 | C24 | C25 | H19 | 62.5° | 60.1° |
| C24 | C26 | H20 | H21 | 120.0° | 119.9° |
| C24 | C26 | H20 | H22 | 120.0° | 120.1° |
| C24 | C26 | H21 | H22 | 120.0° | 120.1° |
| C10 | C5 | C4 | C6 | 178.4° | 179.7° |
| C10 | C5 | C4 | C3 | 178.8° | 180.0° |
| C10 | C5 | C6 | C1 | 178.5° | 179.7° |
| C10 | C5 | C6 | H11 | 1.5° | 0.3° |
| C5 | C4 | C3 | N42 | 179.1° | 180.0° |
| C5 | C4 | C3 | N2 | 0.3° | 0.1° |
| C4 | C5 | C6 | C1 | 0.0° | 0.6° |
| C4 | C5 | C6 | H11 | 180.0° | 180.0° |
| C5 | C4 | C7 | H12 | 179.4° | 180.0° |
| C4 | C5 | C10 | H14 | 178.2° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.3° |
| C4 | C3 | N42 | N2 | 178.9° | 179.9° |
| C4 | C3 | N2 | C1 | 0.0° | 0.1° |
| C3 | C4 | C7 | H12 | 3.4° | 0.4° |
| C4 | C3 | N42 | H37 | 178.9° | 180.0° |
| C4 | C3 | N42 | H38 | 61.1° | 0.0° |
| C5 | C6 | C1 | H11 | 180.0° | 179.4° |
| C5 | C6 | C1 | N2 | 0.3° | 0.6° |
| C5 | C6 | C1 | H10 | 179.7° | 179.7° |
| C6 | C5 | C10 | H14 | 3.4° | 0.3° |
| N42 | C3 | N2 | C1 | 178.8° | 180.0° |
| C3 | N42 | H37 | H38 | 120.0° | 180.0° |
| C3 | N2 | C1 | C6 | 0.4° | 0.4° |
| C3 | N2 | C1 | H10 | 179.7° | 179.9° |
| N2 | C3 | N42 | H37 | 0.0° | 0.1° |
| N2 | C3 | N42 | H38 | 120.0° | 179.9° |
| C6 | C1 | N2 | H10 | 180.0° | 179.7° |
| N2 | C1 | C6 | H11 | 179.6° | 180.0° |
| H2 | C20 | C21 | H3 | 0.6° | 0.1° |
| H4 | C24 | C25 | H17 | 62.8° | 60.0° |
| H4 | C24 | C25 | H18 | 57.2° | 60.1° |
| H4 | C24 | C25 | H19 | 177.2° | 180.0° |
| H4 | C24 | C26 | H20 | 58.8° | 180.0° |
| H4 | C24 | C26 | H21 | 178.8° | 60.1° |
| H4 | C24 | C26 | H22 | 61.2° | 60.0° |
| H5 | C12 | N11 | H15 | 164.7° | 145.0° |
| H6 | C34 | C33 | H9 | 0.3° | 0.3° |
| H7 | C27 | C28 | H23 | 60.3° | 60.0° |
| H7 | C27 | C28 | H24 | 59.7° | 60.0° |
| H7 | C27 | C28 | H25 | 179.7° | 180.0° |
| H8 | C27 | C28 | H23 | 60.3° | 180.0° |
| H8 | C27 | C28 | H24 | 179.7° | 60.0° |
| H8 | C27 | C28 | H25 | 59.7° | 60.1° |
| H9 | C33 | C32 | H29 | 0.3° | 0.0° |
| H10 | C1 | C6 | H11 | 0.3° | 0.3° |
| H12 | C7 | C8 | H13 | 2.1° | 0.3° |
| H16 | N16 | C29 | H26 | 123.9° | 120.1° |
| H16 | N16 | C29 | H27 | 4.9° | 120.0° |
| H17 | C25 | H18 | H19 | 120.0° | 119.9° |
| H20 | C26 | H21 | H22 | 120.0° | 120.0° |
| H23 | C28 | H24 | H25 | 120.0° | 120.0° |
| H28 | C31 | C32 | H29 | 0.0° | 0.0° |
| H30 | C39 | C40 | H31 | 63.4° | 180.0° |
| H30 | C39 | C40 | H32 | 56.6° | 59.9° |
| H30 | C39 | C40 | H33 | 176.6° | 60.1° |
| H30 | C39 | C41 | H34 | 64.7° | 60.0° |
| H30 | C39 | C41 | H35 | 55.3° | 60.0° |
| H30 | C39 | C41 | H36 | 175.3° | 180.0° |
| H31 | C40 | H32 | H33 | 120.0° | 120.0° |
| H34 | C41 | H35 | H36 | 120.0° | 120.1° |
