KUR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C17 | C22 | sing | 1.53Å | 1.51Å | |
| C17 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| F | C27 | sing | 1.40Å | 1.29Å | |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C8 | sing | 1.48Å | 1.48Å | |
| C27 | C25 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | doub | 1.37Å | 1.37Å | |
| C8 | N2 | sing | 1.37Å | 1.38Å | |
| C9 | C10 | sing | 1.40Å | 1.42Å | |
| C25 | C26 | sing | 1.54Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C26 | N5 | sing | 1.47Å | 1.46Å | |
| N2 | C7 | sing | 1.37Å | 1.36Å | |
| C10 | O | doub | 1.22Å | 1.21Å | |
| C10 | N3 | sing | 1.35Å | 1.40Å | |
| C7 | N3 | sing | 1.36Å | 1.35Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C24 | N5 | sing | 1.47Å | 1.47Å | |
| N3 | N4 | sing | 1.40Å | 1.35Å | Aromatic |
| N5 | C23 | sing | 1.35Å | 1.33Å | |
| C6 | C23 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | sing | 1.47Å | 1.42Å | Aromatic |
| N4 | C5 | doub | 1.31Å | 1.32Å | Aromatic |
| C23 | O1 | doub | 1.22Å | 1.20Å | |
| C5 | C2 | sing | 1.48Å | 1.44Å | |
| N | C2 | doub | 1.33Å | 1.34Å | Aromatic |
| N | C3 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.36Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C1 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C4 | N1 | sing | 1.32Å | 1.33Å | Aromatic |
| N2 | H | sing | 0.97Å | 1.00Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C18 | 111.2° | 109.5° |
| C19 | C20 | C21 | 111.5° | 109.5° |
| C20 | C19 | H15 | 109.0° | 109.5° |
| C20 | C19 | H14 | 109.1° | 109.5° |
| C19 | C20 | H17 | 109.0° | 109.4° |
| C19 | C20 | H16 | 109.0° | 109.5° |
| C19 | C18 | C17 | 110.9° | 109.5° |
| C19 | C18 | H13 | 109.1° | 109.5° |
| C19 | C18 | H12 | 109.1° | 109.4° |
| C18 | C19 | H15 | 109.1° | 109.5° |
| C18 | C19 | H14 | 109.0° | 109.5° |
| C20 | C21 | C22 | 111.7° | 109.5° |
| C21 | C20 | H17 | 108.9° | 109.5° |
| C21 | C20 | H16 | 109.0° | 109.5° |
| C20 | C21 | H19 | 108.9° | 109.4° |
| C20 | C21 | H18 | 108.9° | 109.5° |
| C18 | C17 | C22 | 108.8° | 109.5° |
| C18 | C17 | C14 | 114.2° | 109.5° |
| C18 | C17 | H11 | 106.3° | 109.5° |
| C17 | C18 | H13 | 109.1° | 109.5° |
| C17 | C18 | H12 | 109.1° | 109.5° |
| C21 | C22 | C17 | 110.9° | 109.4° |
| C22 | C21 | H19 | 108.9° | 109.5° |
| C22 | C21 | H18 | 108.9° | 109.5° |
| C21 | C22 | H20 | 109.1° | 109.5° |
| C21 | C22 | H21 | 109.1° | 109.4° |
| C22 | C17 | C14 | 114.4° | 109.4° |
| C22 | C17 | H11 | 106.3° | 109.5° |
| C17 | C22 | H20 | 109.1° | 109.5° |
| C17 | C22 | H21 | 109.1° | 109.5° |
| C17 | C14 | C13 | 119.4° | 119.8° |
| C17 | C14 | C15 | 122.4° | 119.8° |
| C14 | C17 | H11 | 106.3° | 109.4° |
| C13 | C14 | C15 | 118.1° | 120.4° |
| C14 | C13 | C12 | 121.4° | 120.1° |
| C14 | C13 | H8 | 119.3° | 120.0° |
| C14 | C15 | C16 | 121.0° | 120.1° |
| C14 | C15 | H9 | 119.5° | 119.9° |
| C13 | C12 | C11 | 120.8° | 119.8° |
| C13 | C12 | H7 | 119.6° | 120.0° |
| C12 | C13 | H8 | 119.3° | 119.9° |
| C15 | C16 | C11 | 120.9° | 119.9° |
| C16 | C15 | H9 | 119.5° | 120.0° |
| C15 | C16 | H10 | 119.6° | 120.1° |
| F | C27 | C25 | 109.4° | 109.5° |
| F | C27 | H28 | 109.5° | 109.5° |
| F | C27 | H27 | 109.5° | 109.5° |
| C12 | C11 | C16 | 117.7° | 119.7° |
| C12 | C11 | C8 | 121.7° | 120.1° |
| C11 | C12 | H7 | 119.6° | 120.1° |
| C16 | C11 | C8 | 120.5° | 120.1° |
| C11 | C16 | H10 | 119.5° | 120.1° |
| C11 | C8 | C9 | 123.6° | 120.3° |
| C11 | C8 | N2 | 117.4° | 120.3° |
| C27 | C25 | C26 | 113.7° | 114.2° |
| C27 | C25 | C24 | 114.9° | 114.2° |
| C27 | C25 | H24 | 112.8° | 113.5° |
| C25 | C27 | H28 | 109.5° | 109.5° |
| C25 | C27 | H27 | 109.5° | 109.5° |
| C9 | C8 | N2 | 119.0° | 119.4° |
| C8 | C9 | C10 | 122.0° | 119.6° |
| C8 | C9 | H6 | 119.0° | 120.2° |
| C8 | N2 | C7 | 121.5° | 120.1° |
| C8 | N2 | H | 119.2° | 119.8° |
| C9 | C10 | O | 125.9° | 119.9° |
| C9 | C10 | N3 | 114.1° | 120.1° |
| C10 | C9 | H6 | 119.0° | 120.2° |
| C26 | C25 | C24 | 89.0° | 83.4° |
| C25 | C26 | N5 | 87.8° | 88.0° |
| C26 | C25 | H24 | 112.1° | 114.2° |
| C25 | C26 | H26 | 114.6° | 113.5° |
| C25 | C26 | H25 | 114.6° | 113.4° |
| C25 | C24 | N5 | 88.3° | 88.0° |
| C25 | C24 | H23 | 114.5° | 113.5° |
| C25 | C24 | H22 | 114.5° | 113.5° |
| C24 | C25 | H24 | 112.4° | 114.2° |
| C26 | N5 | C24 | 94.3° | 87.9° |
| C26 | N5 | C23 | 134.9° | 136.1° |
| N5 | C26 | H26 | 114.6° | 113.5° |
| N5 | C26 | H25 | 114.6° | 113.5° |
| N2 | C7 | N3 | 118.4° | 120.8° |
| N2 | C7 | C6 | 134.4° | 131.6° |
| C7 | N2 | H | 119.3° | 120.0° |
| O | C10 | N3 | 119.9° | 120.0° |
| C10 | N3 | C7 | 124.6° | 120.0° |
| C10 | N3 | N4 | 123.1° | 130.9° |
| N3 | C7 | C6 | 107.2° | 107.6° |
| C7 | N3 | N4 | 112.1° | 109.2° |
| C7 | C6 | C23 | 128.7° | 126.9° |
| C7 | C6 | C5 | 104.1° | 106.3° |
| C24 | N5 | C23 | 130.1° | 136.1° |
| N5 | C24 | H23 | 114.5° | 113.4° |
| N5 | C24 | H22 | 114.4° | 113.4° |
| N3 | N4 | C5 | 105.5° | 109.6° |
| N5 | C23 | C6 | 119.1° | 120.0° |
| N5 | C23 | O1 | 122.7° | 120.0° |
| C23 | C6 | C5 | 127.2° | 126.8° |
| C6 | C23 | O1 | 118.1° | 120.0° |
| C6 | C5 | N4 | 111.2° | 107.4° |
| C6 | C5 | C2 | 128.1° | 126.3° |
| N4 | C5 | C2 | 120.5° | 126.3° |
| C5 | C2 | N | 116.8° | 120.1° |
| C5 | C2 | C1 | 121.5° | 120.1° |
| C2 | N | C3 | 117.1° | 119.8° |
| N | C2 | C1 | 121.3° | 119.8° |
| N | C3 | C4 | 121.9° | 120.2° |
| N | C3 | H4 | 119.0° | 119.9° |
| C2 | C1 | C | 124.3° | 120.1° |
| C2 | C1 | N1 | 119.6° | 119.8° |
| C3 | C4 | N1 | 122.0° | 120.3° |
| C3 | C4 | H5 | 119.0° | 119.9° |
| C4 | C3 | H4 | 119.0° | 119.9° |
| C | C1 | N1 | 116.0° | 120.1° |
| C1 | C | H3 | 109.5° | 109.4° |
| C1 | C | H1 | 109.5° | 109.4° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | N1 | C4 | 118.0° | 120.1° |
| N1 | C4 | H5 | 119.0° | 119.8° |
| H3 | C | H1 | 109.5° | 109.5° |
| H3 | C | H2 | 109.5° | 109.5° |
| H1 | C | H2 | 109.5° | 109.5° |
| H13 | C18 | H12 | 109.5° | 109.5° |
| H15 | C19 | H14 | 109.4° | 109.5° |
| H17 | C20 | H16 | 109.4° | 109.5° |
| H19 | C21 | H18 | 109.5° | 109.4° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H23 | C24 | H22 | 109.5° | 112.8° |
| H26 | C26 | H25 | 109.4° | 112.8° |
| H28 | C27 | H27 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C18 | H15 | 120.3° | 120.0° |
| C20 | C19 | C18 | H14 | 120.3° | 120.0° |
| C19 | C20 | C21 | H17 | 120.3° | 120.0° |
| C19 | C20 | C21 | H16 | 120.3° | 120.0° |
| C20 | C19 | C18 | C17 | 57.2° | 60.0° |
| C19 | C20 | C21 | C22 | 53.2° | 60.0° |
| C20 | C19 | C18 | H13 | 177.4° | 60.1° |
| C20 | C19 | C18 | H12 | 63.1° | 180.0° |
| C20 | C19 | H15 | H14 | 119.2° | 120.0° |
| C19 | C20 | H17 | H16 | 119.1° | 120.0° |
| C19 | C20 | C21 | H19 | 173.6° | 180.0° |
| C19 | C20 | C21 | H18 | 67.1° | 60.0° |
| C18 | C19 | C20 | C21 | 53.5° | 60.0° |
| C19 | C18 | C17 | H13 | 120.2° | 120.0° |
| C19 | C18 | C17 | H12 | 120.2° | 120.0° |
| C19 | C18 | C17 | C22 | 59.3° | 60.0° |
| C19 | C18 | C17 | C14 | 171.6° | 180.0° |
| C19 | C18 | C17 | H11 | 54.7° | 60.1° |
| C19 | C18 | H13 | H12 | 119.3° | 120.0° |
| C18 | C19 | H15 | H14 | 119.2° | 120.0° |
| C18 | C19 | C20 | H17 | 66.8° | 60.0° |
| C18 | C19 | C20 | H16 | 173.8° | 180.0° |
| C20 | C21 | C22 | H19 | 120.3° | 120.0° |
| C20 | C21 | C22 | H18 | 120.3° | 120.1° |
| C20 | C21 | C22 | C17 | 56.4° | 60.0° |
| C21 | C20 | C19 | H15 | 66.8° | 180.0° |
| C21 | C20 | C19 | H14 | 173.7° | 60.0° |
| C21 | C20 | H17 | H16 | 119.0° | 120.1° |
| C20 | C21 | H19 | H18 | 119.0° | 120.0° |
| C20 | C21 | C22 | H20 | 63.8° | 180.0° |
| C20 | C21 | C22 | H21 | 176.6° | 60.0° |
| C18 | C17 | C22 | C21 | 58.8° | 60.0° |
| C18 | C17 | C22 | C14 | 129.0° | 120.0° |
| C18 | C17 | C22 | H11 | 114.1° | 120.1° |
| C18 | C17 | C14 | H11 | 116.8° | 120.0° |
| C18 | C17 | C14 | C13 | 101.1° | 120.0° |
| C18 | C17 | C14 | C15 | 75.7° | 60.0° |
| C17 | C18 | H13 | H12 | 119.4° | 120.0° |
| C17 | C18 | C19 | H15 | 63.1° | 180.0° |
| C17 | C18 | C19 | H14 | 177.4° | 60.0° |
| C18 | C17 | C22 | H20 | 61.4° | 180.0° |
| C18 | C17 | C22 | H21 | 179.0° | 59.9° |
| C21 | C22 | C17 | H20 | 120.2° | 120.0° |
| C21 | C22 | C17 | H21 | 120.2° | 119.9° |
| C21 | C22 | C17 | C14 | 172.2° | 180.0° |
| C21 | C22 | C17 | H11 | 55.2° | 60.1° |
| C22 | C21 | C20 | H17 | 67.1° | 60.0° |
| C22 | C21 | C20 | H16 | 173.6° | 180.0° |
| C22 | C21 | H19 | H18 | 119.0° | 120.0° |
| C21 | C22 | H20 | H21 | 119.3° | 119.9° |
| C22 | C17 | C14 | H11 | 117.0° | 120.0° |
| C22 | C17 | C14 | C13 | 132.7° | 120.0° |
| C22 | C17 | C14 | C15 | 50.5° | 60.0° |
| C22 | C17 | C18 | H13 | 179.5° | 60.0° |
| C22 | C17 | C18 | H12 | 60.9° | 180.0° |
| C17 | C22 | C21 | H19 | 176.8° | 180.0° |
| C17 | C22 | C21 | H18 | 63.9° | 60.1° |
| C17 | C22 | H20 | H21 | 119.3° | 120.1° |
| C17 | C14 | C13 | C15 | 176.9° | 180.0° |
| C17 | C14 | C13 | C12 | 174.4° | 180.0° |
| C17 | C14 | C15 | C16 | 175.7° | 179.7° |
| C17 | C14 | C13 | H8 | 5.6° | 0.0° |
| C17 | C14 | C15 | H9 | 4.4° | 0.0° |
| C14 | C17 | C18 | H13 | 51.3° | 60.0° |
| C14 | C17 | C18 | H12 | 68.2° | 60.0° |
| C14 | C17 | C22 | H20 | 67.5° | 60.0° |
| C14 | C17 | C22 | H21 | 52.0° | 60.1° |
| C14 | C13 | C12 | H8 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.2° | 0.3° |
| C14 | C13 | C12 | C11 | 1.3° | 0.0° |
| C14 | C13 | C12 | H7 | 178.7° | 179.9° |
| C13 | C14 | C15 | H9 | 178.8° | 180.0° |
| C13 | C14 | C17 | H11 | 15.7° | 0.0° |
| C15 | C14 | C13 | C12 | 2.5° | 0.0° |
| C14 | C15 | C16 | H9 | 180.0° | 179.7° |
| C14 | C15 | C16 | C11 | 1.4° | 0.6° |
| C15 | C14 | C13 | H8 | 177.5° | 180.0° |
| C14 | C15 | C16 | H10 | 178.6° | 179.9° |
| C15 | C14 | C17 | H11 | 167.5° | 179.9° |
| C13 | C12 | C11 | H7 | 180.0° | 179.9° |
| C13 | C12 | C11 | C16 | 1.3° | 0.3° |
| C13 | C12 | C11 | C8 | 175.8° | 180.0° |
| C15 | C16 | C11 | C12 | 2.6° | 0.6° |
| C15 | C16 | C11 | H10 | 180.0° | 179.5° |
| C15 | C16 | C11 | C8 | 174.5° | 179.7° |
| F | C27 | C25 | H28 | 120.0° | 120.0° |
| F | C27 | C25 | H27 | 120.0° | 120.0° |
| F | C27 | C25 | C26 | 72.0° | 65.0° |
| F | C27 | C25 | C24 | 172.4° | 158.6° |
| F | C27 | C25 | H24 | 57.1° | 68.2° |
| F | C27 | H28 | H27 | 120.0° | 120.0° |
| C12 | C11 | C16 | C8 | 177.2° | 179.7° |
| C12 | C11 | C8 | C9 | 153.9° | 0.0° |
| C12 | C11 | C8 | N2 | 25.2° | 179.3° |
| C11 | C12 | C13 | H8 | 178.7° | 180.0° |
| C12 | C11 | C16 | H10 | 177.4° | 180.0° |
| C16 | C11 | C8 | C9 | 23.1° | 179.7° |
| C16 | C11 | C8 | N2 | 157.8° | 1.0° |
| C16 | C11 | C12 | H7 | 178.7° | 179.8° |
| C11 | C16 | C15 | H9 | 178.6° | 179.7° |
| C11 | C8 | C9 | N2 | 179.0° | 179.3° |
| C11 | C8 | C9 | C10 | 177.0° | 180.0° |
| C11 | C8 | N2 | C7 | 175.8° | 179.8° |
| C11 | C8 | N2 | H | 4.2° | 0.2° |
| C11 | C8 | C9 | H6 | 3.0° | 0.8° |
| C8 | C11 | C12 | H7 | 4.2° | 0.1° |
| C8 | C11 | C16 | H10 | 5.5° | 0.2° |
| C27 | C25 | C26 | C24 | 116.8° | 113.6° |
| C27 | C25 | C26 | H24 | 129.4° | 132.8° |
| C27 | C25 | C24 | H24 | 130.7° | 132.9° |
| C27 | C25 | C26 | N5 | 111.1° | 139.7° |
| C27 | C25 | C24 | N5 | 110.0° | 139.7° |
| C27 | C25 | C24 | H23 | 6.2° | 24.9° |
| C27 | C25 | C24 | H22 | 133.8° | 105.6° |
| C27 | C25 | C26 | H26 | 132.8° | 105.6° |
| C27 | C25 | C26 | H25 | 5.1° | 24.9° |
| C25 | C27 | H28 | H27 | 120.0° | 120.0° |
| C8 | C9 | C10 | H6 | 180.0° | 179.2° |
| C9 | C8 | N2 | C7 | 3.3° | 0.5° |
| C8 | C9 | C10 | O | 177.5° | 179.9° |
| C8 | C9 | C10 | N3 | 2.6° | 0.5° |
| C9 | C8 | N2 | H | 176.7° | 179.5° |
| N2 | C8 | C9 | C10 | 2.0° | 0.7° |
| C8 | N2 | C7 | H | 180.0° | 180.0° |
| C8 | N2 | C7 | N3 | 0.3° | 0.0° |
| C8 | N2 | C7 | C6 | 179.3° | 179.7° |
| N2 | C8 | C9 | H6 | 178.0° | 179.9° |
| C9 | C10 | O | N3 | 180.0° | 179.6° |
| C9 | C10 | N3 | C7 | 6.5° | 0.0° |
| C9 | C10 | N3 | N4 | 179.0° | 180.0° |
| C26 | C25 | C24 | H24 | 113.5° | 113.5° |
| C25 | C26 | N5 | H26 | 116.1° | 114.8° |
| C25 | C26 | N5 | H25 | 116.1° | 114.7° |
| C26 | C25 | C24 | N5 | 5.7° | 26.1° |
| C25 | C26 | N5 | C23 | 176.2° | 153.0° |
| C26 | C25 | C24 | H23 | 122.0° | 88.7° |
| C26 | C25 | C24 | H22 | 110.5° | 140.8° |
| C25 | C26 | H26 | H25 | 130.3° | 130.8° |
| C26 | C25 | C27 | H28 | 48.1° | 175.0° |
| C26 | C25 | C27 | H27 | 168.0° | 55.0° |
| C25 | C24 | N5 | H23 | 116.2° | 114.8° |
| C25 | C24 | N5 | H22 | 116.2° | 114.9° |
| C25 | C24 | N5 | C23 | 177.0° | 153.0° |
| C25 | C24 | H23 | H22 | 130.0° | 130.9° |
| C24 | C25 | C26 | H26 | 110.4° | 140.8° |
| C24 | C25 | C26 | H25 | 121.9° | 88.7° |
| C24 | C25 | C27 | H28 | 52.4° | 81.4° |
| C24 | C25 | C27 | H27 | 67.6° | 38.6° |
| C26 | N5 | C24 | C23 | 170.9° | 179.9° |
| C26 | N5 | C23 | C6 | 11.0° | 0.1° |
| C26 | N5 | C23 | O1 | 167.8° | 180.0° |
| C26 | N5 | C24 | H23 | 122.3° | 87.7° |
| C26 | N5 | C24 | H22 | 110.2° | 142.0° |
| N5 | C26 | C25 | H24 | 119.5° | 87.5° |
| N5 | C26 | H26 | H25 | 130.3° | 130.8° |
| N2 | C7 | N3 | C10 | 5.6° | 0.3° |
| N2 | C7 | N3 | C6 | 179.2° | 179.7° |
| N2 | C7 | N3 | N4 | 179.4° | 179.7° |
| N2 | C7 | C6 | C23 | 0.5° | 0.3° |
| N2 | C7 | C6 | C5 | 179.0° | 179.7° |
| O | C10 | N3 | C7 | 173.5° | 179.6° |
| O | C10 | N3 | N4 | 1.0° | 0.4° |
| O | C10 | C9 | H6 | 2.5° | 0.7° |
| C10 | N3 | C7 | N4 | 175.0° | 180.0° |
| C10 | N3 | C7 | C6 | 175.2° | 180.0° |
| C10 | N3 | N4 | C5 | 175.5° | 180.0° |
| N3 | C10 | C9 | H6 | 177.4° | 179.7° |
| N3 | C7 | C6 | C23 | 178.5° | 180.0° |
| N3 | C7 | C6 | C5 | 0.1° | 0.0° |
| C7 | N3 | N4 | C5 | 0.4° | 0.0° |
| N3 | C7 | N2 | H | 179.7° | 180.0° |
| C6 | C7 | N3 | N4 | 0.2° | 0.0° |
| C7 | C6 | C23 | N5 | 38.2° | 90.0° |
| C7 | C6 | C23 | C5 | 178.1° | 180.0° |
| C7 | C6 | C5 | N4 | 0.4° | 0.0° |
| C7 | C6 | C23 | O1 | 142.9° | 89.9° |
| C7 | C6 | C5 | C2 | 174.9° | 179.9° |
| C6 | C7 | N2 | H | 0.7° | 0.4° |
| C24 | N5 | C23 | C6 | 178.2° | 180.0° |
| C24 | N5 | C23 | O1 | 0.6° | 0.1° |
| N5 | C24 | H23 | H22 | 130.0° | 130.7° |
| N5 | C24 | C25 | H24 | 119.3° | 87.5° |
| C24 | N5 | C26 | H26 | 110.2° | 141.9° |
| C24 | N5 | C26 | H25 | 122.1° | 87.6° |
| N3 | N4 | C5 | C6 | 0.5° | 0.0° |
| N3 | N4 | C5 | C2 | 175.2° | 179.9° |
| N5 | C23 | C6 | O1 | 178.9° | 179.9° |
| N5 | C23 | C6 | C5 | 139.9° | 90.0° |
| C23 | N5 | C24 | H23 | 66.8° | 92.3° |
| C23 | N5 | C24 | H22 | 60.7° | 38.1° |
| C23 | N5 | C26 | H26 | 60.0° | 38.2° |
| C23 | N5 | C26 | H25 | 67.7° | 92.3° |
| C23 | C6 | C5 | N4 | 178.8° | 180.0° |
| C23 | C6 | C5 | C2 | 3.6° | 0.1° |
| C6 | C5 | N4 | C2 | 175.6° | 179.9° |
| C5 | C6 | C23 | O1 | 39.0° | 90.1° |
| C6 | C5 | C2 | N | 57.3° | 0.0° |
| C6 | C5 | C2 | C1 | 129.6° | 180.0° |
| N4 | C5 | C2 | N | 117.5° | 179.9° |
| N4 | C5 | C2 | C1 | 55.6° | 0.1° |
| C5 | C2 | N | C1 | 173.1° | 180.0° |
| C5 | C2 | N | C3 | 171.4° | 180.0° |
| C5 | C2 | C1 | C | 6.1° | 0.0° |
| C5 | C2 | C1 | N1 | 172.1° | 180.0° |
| C2 | N | C3 | C4 | 1.7° | 0.0° |
| N | C2 | C1 | C | 178.9° | 180.0° |
| N | C2 | C1 | N1 | 0.7° | 0.0° |
| C2 | N | C3 | H4 | 178.3° | 180.0° |
| C3 | N | C2 | C1 | 1.7° | 0.0° |
| N | C3 | C4 | H4 | 180.0° | 180.0° |
| N | C3 | C4 | N1 | 0.7° | 0.0° |
| N | C3 | C4 | H5 | 179.3° | 180.0° |
| C2 | C1 | C | N1 | 178.3° | 180.0° |
| C2 | C1 | N1 | C4 | 0.4° | 0.0° |
| C2 | C1 | C | H3 | 178.3° | 90.0° |
| C2 | C1 | C | H1 | 58.3° | 29.9° |
| C2 | C1 | C | H2 | 61.7° | 150.0° |
| C3 | C4 | N1 | C1 | 0.4° | 0.0° |
| C3 | C4 | N1 | H5 | 180.0° | 180.0° |
| C | C1 | N1 | C4 | 177.9° | 180.0° |
| C1 | C | H3 | H1 | 120.0° | 119.9° |
| C1 | C | H3 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | N1 | C4 | H5 | 179.5° | 180.0° |
| N1 | C1 | C | H3 | 0.0° | 90.0° |
| N1 | C1 | C | H1 | 120.0° | 150.0° |
| N1 | C1 | C | H2 | 120.0° | 30.0° |
| N1 | C4 | C3 | H4 | 179.3° | 180.0° |
| H5 | C4 | C3 | H4 | 0.7° | 0.0° |
| H3 | C | H1 | H2 | 120.0° | 120.0° |
| H7 | C12 | C13 | H8 | 1.3° | 0.1° |
| H9 | C15 | C16 | H10 | 1.4° | 0.2° |
| H11 | C17 | C18 | H13 | 65.5° | 179.9° |
| H11 | C17 | C18 | H12 | 175.0° | 59.9° |
| H11 | C17 | C22 | H20 | 175.5° | 59.9° |
| H11 | C17 | C22 | H21 | 65.0° | 180.0° |
| H13 | C18 | C19 | H15 | 57.1° | 60.0° |
| H13 | C18 | C19 | H14 | 62.3° | 180.0° |
| H12 | C18 | C19 | H15 | 176.7° | 60.0° |
| H12 | C18 | C19 | H14 | 57.2° | 60.0° |
| H15 | C19 | C20 | H17 | 172.9° | 60.0° |
| H15 | C19 | C20 | H16 | 53.5° | 60.0° |
| H14 | C19 | C20 | H17 | 53.4° | 180.0° |
| H14 | C19 | C20 | H16 | 66.0° | 60.0° |
| H17 | C20 | C21 | H19 | 53.3° | 60.1° |
| H17 | C20 | C21 | H18 | 172.6° | 180.0° |
| H16 | C20 | C21 | H19 | 66.1° | 60.0° |
| H16 | C20 | C21 | H18 | 53.2° | 59.9° |
| H19 | C21 | C22 | H20 | 56.5° | 60.0° |
| H19 | C21 | C22 | H21 | 63.0° | 60.0° |
| H18 | C21 | C22 | H20 | 175.9° | 60.0° |
| H18 | C21 | C22 | H21 | 56.3° | 179.9° |
| H23 | C24 | C25 | H24 | 124.5° | 157.8° |
| H22 | C24 | C25 | H24 | 3.0° | 27.3° |
| H24 | C25 | C26 | H26 | 3.4° | 27.3° |
| H24 | C25 | C26 | H25 | 124.3° | 157.7° |
| H24 | C25 | C27 | H28 | 177.1° | 51.8° |
| H24 | C25 | C27 | H27 | 63.0° | 171.8° |
