QQU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C15 | sing | 1.35Å | 1.33Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.35Å | Aromatic |
| C15 | C14 | doub | 1.35Å | 1.40Å | Aromatic |
| N2 | C16 | doub | 1.31Å | 1.34Å | Aromatic |
| C16 | C14 | sing | 1.40Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C22 | C23 | doub | 1.36Å | 1.36Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | N | sing | 1.47Å | 1.47Å | |
| C20 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| C20 | N4 | sing | 1.31Å | 1.32Å | Aromatic |
| C21 | C26 | sing | 1.42Å | 1.43Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| N4 | C19 | doub | 1.33Å | 1.34Å | Aromatic |
| C24 | C25 | doub | 1.36Å | 1.37Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.42Å | Aromatic |
| C26 | C18 | doub | 1.41Å | 1.43Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| O1 | C8 | doub | 1.21Å | 1.22Å | |
| C18 | N3 | sing | 1.40Å | 1.42Å | |
| N | C8 | sing | 1.35Å | 1.35Å | |
| N | C9 | sing | 1.47Å | 1.47Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| N3 | C17 | sing | 1.35Å | 1.36Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C17 | C6 | sing | 1.51Å | 1.55Å | |
| C17 | O2 | doub | 1.21Å | 1.22Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| C6 | C27 | sing | 1.51Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | O | sing | 1.43Å | 1.44Å | |
| CL | C | sing | 1.74Å | 1.74Å | |
| C | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | O | sing | 1.36Å | 1.37Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C28 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H20 | sing | 1.08Å | 1.08Å | |
| C1 | H21 | sing | 1.08Å | 1.08Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N1 | N2 | 104.2° | 107.9° |
| N1 | C15 | C14 | 112.0° | 107.7° |
| C15 | N1 | H1 | 127.9° | 126.0° |
| N1 | C15 | H12 | 124.0° | 126.1° |
| N1 | N2 | C16 | 112.2° | 108.2° |
| N2 | N1 | H1 | 127.9° | 126.0° |
| C15 | C14 | C16 | 104.0° | 107.9° |
| C15 | C14 | C13 | 128.7° | 126.0° |
| C14 | C15 | H12 | 124.0° | 126.2° |
| N2 | C16 | C14 | 107.6° | 108.3° |
| N2 | C16 | H28 | 126.2° | 125.8° |
| C16 | C14 | C13 | 127.1° | 126.1° |
| C14 | C16 | H28 | 126.2° | 125.9° |
| C14 | C13 | C12 | 115.0° | 109.6° |
| C14 | C13 | N | 114.4° | 109.6° |
| C14 | C13 | H11 | 104.4° | 109.7° |
| C23 | C22 | C21 | 120.6° | 119.5° |
| C22 | C23 | C24 | 120.7° | 121.0° |
| C23 | C22 | H14 | 119.7° | 120.3° |
| C22 | C23 | H18 | 119.7° | 119.5° |
| C22 | C21 | C20 | 123.1° | 122.0° |
| C22 | C21 | C26 | 119.0° | 119.3° |
| C21 | C22 | H14 | 119.7° | 120.2° |
| C23 | C24 | C25 | 120.6° | 121.0° |
| C23 | C24 | H15 | 119.7° | 119.5° |
| C24 | C23 | H18 | 119.6° | 119.5° |
| C12 | C13 | N | 112.7° | 108.8° |
| C13 | C12 | C11 | 112.1° | 109.3° |
| C12 | C13 | H11 | 104.1° | 109.6° |
| C13 | C12 | H22 | 108.8° | 109.5° |
| C13 | C12 | H23 | 108.8° | 109.5° |
| C13 | N | C8 | 118.0° | 120.6° |
| C13 | N | C9 | 118.7° | 118.8° |
| N | C13 | H11 | 104.7° | 109.6° |
| C21 | C20 | N4 | 124.2° | 120.2° |
| C20 | C21 | C26 | 117.9° | 118.7° |
| C21 | C20 | H13 | 117.9° | 119.9° |
| C20 | N4 | C19 | 117.5° | 122.9° |
| N4 | C20 | H13 | 117.9° | 119.9° |
| C21 | C26 | C25 | 118.1° | 119.6° |
| C21 | C26 | C18 | 118.1° | 118.2° |
| C12 | C11 | C10 | 111.1° | 109.5° |
| C11 | C12 | H22 | 108.8° | 109.5° |
| C11 | C12 | H23 | 108.8° | 109.5° |
| C12 | C11 | H24 | 109.0° | 109.5° |
| C12 | C11 | H25 | 109.1° | 109.5° |
| N4 | C19 | C18 | 125.5° | 121.6° |
| N4 | C19 | H19 | 117.3° | 119.2° |
| C24 | C25 | C26 | 121.0° | 119.5° |
| C25 | C24 | H15 | 119.7° | 119.5° |
| C24 | C25 | H17 | 119.5° | 120.3° |
| C25 | C26 | C18 | 123.8° | 122.2° |
| C26 | C25 | H17 | 119.5° | 120.2° |
| C26 | C18 | C19 | 116.9° | 118.5° |
| C26 | C18 | N3 | 118.8° | 120.8° |
| C11 | C10 | C9 | 110.7° | 109.3° |
| C11 | C10 | H9 | 109.2° | 109.6° |
| C11 | C10 | H10 | 109.2° | 109.5° |
| C10 | C11 | H24 | 109.1° | 109.5° |
| C10 | C11 | H25 | 109.1° | 109.5° |
| C19 | C18 | N3 | 124.3° | 120.8° |
| C18 | C19 | H19 | 117.3° | 119.2° |
| O1 | C8 | N | 120.9° | 120.0° |
| O1 | C8 | C7 | 121.4° | 120.0° |
| C18 | N3 | C17 | 127.7° | 120.0° |
| C18 | N3 | H2 | 116.2° | 120.0° |
| C8 | N | C9 | 123.2° | 120.6° |
| N | C8 | C7 | 117.7° | 120.0° |
| N | C9 | C10 | 112.6° | 108.8° |
| N | C9 | H26 | 108.7° | 109.6° |
| N | C9 | H27 | 108.7° | 109.6° |
| C8 | C7 | C6 | 115.7° | 109.5° |
| C8 | C7 | H7 | 107.9° | 109.5° |
| C8 | C7 | H8 | 107.9° | 109.4° |
| N3 | C17 | C6 | 117.6° | 120.0° |
| N3 | C17 | O2 | 121.9° | 120.0° |
| C17 | N3 | H2 | 116.2° | 120.0° |
| C9 | C10 | H9 | 109.1° | 109.5° |
| C9 | C10 | H10 | 109.1° | 109.5° |
| C10 | C9 | H26 | 108.7° | 109.6° |
| C10 | C9 | H27 | 108.7° | 109.6° |
| C7 | C6 | C17 | 113.1° | 109.4° |
| C7 | C6 | C5 | 112.9° | 109.4° |
| C7 | C6 | C27 | 108.6° | 109.5° |
| C6 | C7 | H7 | 107.9° | 109.5° |
| C6 | C7 | H8 | 107.9° | 109.5° |
| C6 | C17 | O2 | 120.5° | 120.0° |
| C17 | C6 | C5 | 106.3° | 109.4° |
| C17 | C6 | C27 | 107.7° | 109.5° |
| C5 | C6 | C27 | 108.0° | 109.6° |
| C6 | C5 | C4 | 111.9° | 108.3° |
| C6 | C5 | H5 | 108.9° | 109.7° |
| C6 | C5 | H6 | 108.9° | 109.8° |
| C6 | C27 | C28 | 120.2° | 118.7° |
| C6 | C27 | C3 | 121.9° | 121.4° |
| C5 | C4 | O | 111.8° | 108.4° |
| C5 | C4 | H3 | 108.9° | 109.6° |
| C5 | C4 | H4 | 108.9° | 109.8° |
| C4 | C5 | H5 | 108.8° | 109.7° |
| C4 | C5 | H6 | 108.8° | 109.7° |
| C27 | C28 | C | 119.7° | 120.3° |
| C28 | C27 | C3 | 117.9° | 119.9° |
| C27 | C28 | H16 | 120.2° | 119.9° |
| C28 | C | CL | 118.9° | 120.0° |
| C28 | C | C1 | 122.0° | 120.0° |
| C | C28 | H16 | 120.2° | 119.9° |
| C27 | C3 | O | 123.2° | 121.8° |
| C27 | C3 | C2 | 121.7° | 119.7° |
| C4 | O | C3 | 115.8° | 117.9° |
| O | C4 | H3 | 108.9° | 109.6° |
| O | C4 | H4 | 108.9° | 109.7° |
| CL | C | C1 | 119.1° | 120.0° |
| C | C1 | C2 | 119.3° | 120.0° |
| C | C1 | H21 | 120.3° | 120.0° |
| O | C3 | C2 | 115.1° | 118.5° |
| C3 | C2 | C1 | 119.4° | 120.2° |
| C3 | C2 | H20 | 120.3° | 119.9° |
| C1 | C2 | H20 | 120.3° | 119.9° |
| C2 | C1 | H21 | 120.3° | 120.0° |
| H3 | C4 | H4 | 109.5° | 109.7° |
| H5 | C5 | H6 | 109.5° | 109.7° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H22 | C12 | H23 | 109.5° | 109.5° |
| H24 | C11 | H25 | 109.5° | 109.4° |
| H26 | C9 | H27 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N1 | N2 | H1 | 180.0° | 179.7° |
| N1 | C15 | C14 | H12 | 180.0° | 179.9° |
| C15 | N1 | N2 | C16 | 0.1° | 0.0° |
| N1 | C15 | C14 | C16 | 0.9° | 0.0° |
| N1 | C15 | C14 | C13 | 174.0° | 180.0° |
| N2 | N1 | C15 | C14 | 0.7° | 0.0° |
| N1 | N2 | C16 | C14 | 0.5° | 0.0° |
| N2 | N1 | C15 | H12 | 179.4° | 179.9° |
| N1 | N2 | C16 | H28 | 179.5° | 180.0° |
| C15 | C14 | C16 | N2 | 0.8° | 0.0° |
| C15 | C14 | C16 | C13 | 175.0° | 180.0° |
| C15 | C14 | C13 | C12 | 61.4° | 121.1° |
| C15 | C14 | C13 | N | 166.0° | 119.6° |
| C14 | C15 | N1 | H1 | 179.4° | 179.7° |
| C15 | C14 | C13 | H11 | 52.1° | 0.8° |
| C15 | C14 | C16 | H28 | 179.2° | 180.0° |
| N2 | C16 | C14 | H28 | 180.0° | 180.0° |
| N2 | C16 | C14 | C13 | 174.2° | 180.0° |
| C16 | N2 | N1 | H1 | 179.9° | 179.7° |
| C16 | C14 | C13 | C12 | 124.8° | 58.9° |
| C16 | C14 | C13 | N | 7.9° | 60.4° |
| C16 | C14 | C13 | H11 | 121.8° | 179.3° |
| C16 | C14 | C15 | H12 | 179.1° | 180.0° |
| C14 | C13 | C12 | N | 133.5° | 119.8° |
| C14 | C13 | C12 | H11 | 113.6° | 120.4° |
| C14 | C13 | N | H11 | 113.7° | 120.4° |
| C14 | C13 | C12 | C11 | 88.2° | 174.4° |
| C14 | C13 | N | C8 | 84.0° | 6.6° |
| C14 | C13 | N | C9 | 91.8° | 173.4° |
| C13 | C14 | C15 | H12 | 6.0° | 0.1° |
| C14 | C13 | C12 | H22 | 151.4° | 65.6° |
| C14 | C13 | C12 | H23 | 32.3° | 54.4° |
| C13 | C14 | C16 | H28 | 5.8° | 0.0° |
| C23 | C22 | C21 | H14 | 180.0° | 180.0° |
| C22 | C23 | C24 | H18 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 179.0° | 180.0° |
| C23 | C22 | C21 | C26 | 0.6° | 0.0° |
| C22 | C23 | C24 | C25 | 1.0° | 0.0° |
| C22 | C23 | C24 | H15 | 179.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.5° | 0.0° |
| C22 | C21 | C20 | C26 | 178.4° | 180.0° |
| C22 | C21 | C20 | N4 | 177.2° | 180.0° |
| C22 | C21 | C26 | C25 | 1.3° | 0.0° |
| C22 | C21 | C26 | C18 | 176.9° | 180.0° |
| C22 | C21 | C20 | H13 | 2.8° | 0.3° |
| C21 | C22 | C23 | H18 | 179.5° | 179.9° |
| C23 | C24 | C25 | H15 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C24 | C23 | C22 | H14 | 179.5° | 180.0° |
| C23 | C24 | C25 | H17 | 179.8° | 180.0° |
| C12 | C13 | N | H11 | 112.6° | 119.8° |
| C13 | C12 | C11 | H22 | 120.4° | 120.0° |
| C13 | C12 | C11 | H23 | 120.4° | 120.0° |
| C13 | C12 | C11 | C10 | 54.5° | 61.3° |
| C12 | C13 | N | C8 | 142.2° | 126.4° |
| C12 | C13 | N | C9 | 41.9° | 53.6° |
| C13 | C12 | H22 | H23 | 118.8° | 120.1° |
| C13 | C12 | C11 | H24 | 174.8° | 178.6° |
| C13 | C12 | C11 | H25 | 65.7° | 58.7° |
| N | C13 | C12 | C11 | 45.3° | 54.6° |
| C13 | N | C8 | O1 | 20.7° | 4.2° |
| C13 | N | C8 | C9 | 175.7° | 180.0° |
| C13 | N | C8 | C7 | 155.6° | 175.7° |
| C13 | N | C9 | C10 | 45.6° | 53.6° |
| N | C13 | C12 | H22 | 75.1° | 174.6° |
| N | C13 | C12 | H23 | 165.7° | 65.4° |
| C13 | N | C9 | H26 | 74.9° | 66.2° |
| C13 | N | C9 | H27 | 166.1° | 173.4° |
| C21 | C20 | N4 | H13 | 180.0° | 179.8° |
| C21 | C20 | N4 | C19 | 0.1° | 0.0° |
| C20 | C21 | C26 | C25 | 179.7° | 180.0° |
| C20 | C21 | C26 | C18 | 1.5° | 0.1° |
| C20 | C21 | C22 | H14 | 1.0° | 0.0° |
| N4 | C20 | C21 | C26 | 1.2° | 0.1° |
| C20 | N4 | C19 | C18 | 1.0° | 0.0° |
| C20 | N4 | C19 | H19 | 179.0° | 180.0° |
| C21 | C26 | C25 | C24 | 0.9° | 0.0° |
| C21 | C26 | C25 | C18 | 178.1° | 179.9° |
| C21 | C26 | C18 | C19 | 0.7° | 0.0° |
| C21 | C26 | C18 | N3 | 178.1° | 180.0° |
| C26 | C21 | C20 | H13 | 178.9° | 179.7° |
| C26 | C21 | C22 | H14 | 179.4° | 180.0° |
| C21 | C26 | C25 | H17 | 179.1° | 180.0° |
| C12 | C11 | C10 | H24 | 120.2° | 120.1° |
| C12 | C11 | C10 | H25 | 120.3° | 120.0° |
| C12 | C11 | C10 | C9 | 57.7° | 61.3° |
| C12 | C11 | C10 | H9 | 62.5° | 178.7° |
| C12 | C11 | C10 | H10 | 177.9° | 58.7° |
| C11 | C12 | C13 | H11 | 158.2° | 65.2° |
| C11 | C12 | H22 | H23 | 118.8° | 120.0° |
| C12 | C11 | H24 | H25 | 119.2° | 120.0° |
| N4 | C19 | C18 | C26 | 0.6° | 0.0° |
| N4 | C19 | C18 | H19 | 180.0° | 180.0° |
| N4 | C19 | C18 | N3 | 179.3° | 180.0° |
| C19 | N4 | C20 | H13 | 179.9° | 179.8° |
| C24 | C25 | C26 | H17 | 180.0° | 180.0° |
| C24 | C25 | C26 | C18 | 177.2° | 180.0° |
| C25 | C24 | C23 | H18 | 179.0° | 180.0° |
| C25 | C26 | C18 | C19 | 178.8° | 180.0° |
| C25 | C26 | C18 | N3 | 0.1° | 0.0° |
| C26 | C25 | C24 | H15 | 179.8° | 180.0° |
| C26 | C18 | C19 | N3 | 178.7° | 180.0° |
| C26 | C18 | N3 | C17 | 103.1° | 150.8° |
| C26 | C18 | N3 | H2 | 76.9° | 29.1° |
| C18 | C26 | C25 | H17 | 2.8° | 0.1° |
| C26 | C18 | C19 | H19 | 179.4° | 180.0° |
| C11 | C10 | C9 | N | 52.0° | 54.6° |
| C11 | C10 | C9 | H9 | 120.2° | 120.0° |
| C11 | C10 | C9 | H10 | 120.2° | 120.0° |
| C11 | C10 | H9 | H10 | 119.5° | 120.1° |
| C10 | C11 | C12 | H22 | 65.8° | 178.7° |
| C10 | C11 | C12 | H23 | 174.9° | 58.7° |
| C10 | C11 | H24 | H25 | 119.3° | 119.9° |
| C11 | C10 | C9 | H26 | 68.4° | 65.2° |
| C11 | C10 | C9 | H27 | 172.5° | 174.4° |
| C19 | C18 | N3 | C17 | 75.5° | 29.2° |
| C19 | C18 | N3 | H2 | 104.5° | 150.9° |
| O1 | C8 | N | C7 | 176.4° | 179.9° |
| O1 | C8 | N | C9 | 163.6° | 175.8° |
| O1 | C8 | C7 | C6 | 45.1° | 5.8° |
| O1 | C8 | C7 | H7 | 166.0° | 114.2° |
| O1 | C8 | C7 | H8 | 75.8° | 125.9° |
| C18 | N3 | C17 | H2 | 180.0° | 179.9° |
| C18 | N3 | C17 | C6 | 179.0° | 176.0° |
| C18 | N3 | C17 | O2 | 0.1° | 4.1° |
| N3 | C18 | C19 | H19 | 0.8° | 0.0° |
| C8 | N | C9 | C10 | 138.8° | 126.4° |
| N | C8 | C7 | C6 | 138.6° | 174.3° |
| N | C8 | C7 | H7 | 17.7° | 65.7° |
| N | C8 | C7 | H8 | 100.5° | 54.2° |
| C8 | N | C13 | H11 | 29.7° | 113.8° |
| C8 | N | C9 | H26 | 100.8° | 113.8° |
| C8 | N | C9 | H27 | 18.3° | 6.6° |
| C9 | N | C8 | C7 | 20.0° | 4.3° |
| N | C9 | C10 | H26 | 120.5° | 119.8° |
| N | C9 | C10 | H27 | 120.5° | 119.8° |
| N | C9 | C10 | H9 | 68.2° | 174.6° |
| N | C9 | C10 | H10 | 172.2° | 65.4° |
| C9 | N | C13 | H11 | 154.5° | 66.2° |
| N | C9 | H26 | H27 | 118.6° | 120.4° |
| C8 | C7 | C6 | H7 | 120.9° | 120.1° |
| C8 | C7 | C6 | H8 | 120.9° | 120.0° |
| C8 | C7 | C6 | C17 | 97.7° | 60.3° |
| C8 | C7 | C6 | C5 | 23.0° | 59.6° |
| C8 | C7 | C6 | C27 | 142.8° | 179.8° |
| C8 | C7 | H7 | H8 | 117.2° | 119.9° |
| N3 | C17 | C6 | C7 | 32.7° | 59.6° |
| N3 | C17 | C6 | O2 | 179.1° | 179.9° |
| N3 | C17 | C6 | C5 | 91.7° | 179.5° |
| N3 | C17 | C6 | C27 | 152.8° | 60.3° |
| C9 | C10 | H9 | H10 | 119.4° | 120.0° |
| C9 | C10 | C11 | H24 | 178.0° | 178.6° |
| C9 | C10 | C11 | H25 | 62.5° | 58.7° |
| C10 | C9 | H26 | H27 | 118.6° | 120.3° |
| C7 | C6 | C17 | C5 | 124.5° | 119.9° |
| C7 | C6 | C17 | C27 | 120.1° | 119.9° |
| C7 | C6 | C17 | O2 | 148.1° | 120.4° |
| C7 | C6 | C5 | C27 | 120.1° | 120.1° |
| C7 | C6 | C5 | C4 | 164.3° | 168.3° |
| C7 | C6 | C27 | C28 | 40.3° | 42.2° |
| C7 | C6 | C27 | C3 | 141.0° | 137.9° |
| C7 | C6 | C5 | H5 | 75.4° | 48.6° |
| C7 | C6 | C5 | H6 | 43.9° | 71.9° |
| C6 | C7 | H7 | H8 | 117.1° | 120.0° |
| C17 | C6 | C5 | C27 | 115.3° | 120.1° |
| C17 | C6 | C5 | C4 | 71.2° | 71.8° |
| C17 | C6 | C27 | C28 | 82.5° | 77.7° |
| C17 | C6 | C27 | C3 | 96.1° | 102.2° |
| C6 | C17 | N3 | H2 | 1.0° | 3.9° |
| C17 | C6 | C5 | H5 | 49.2° | 168.5° |
| C17 | C6 | C5 | H6 | 168.5° | 47.9° |
| C17 | C6 | C7 | H7 | 141.4° | 59.8° |
| C17 | C6 | C7 | H8 | 23.2° | 179.7° |
| O2 | C17 | C6 | C5 | 87.4° | 0.6° |
| O2 | C17 | C6 | C27 | 28.1° | 119.6° |
| O2 | C17 | N3 | H2 | 179.9° | 176.0° |
| C6 | C5 | C4 | H5 | 120.4° | 119.7° |
| C6 | C5 | C4 | H6 | 120.4° | 119.8° |
| C5 | C6 | C27 | C28 | 163.1° | 162.2° |
| C5 | C6 | C27 | C3 | 18.2° | 17.8° |
| C6 | C5 | C4 | O | 60.8° | 64.7° |
| C6 | C5 | C4 | H3 | 59.6° | 54.9° |
| C6 | C5 | C4 | H4 | 178.8° | 175.5° |
| C6 | C5 | H5 | H6 | 118.9° | 120.6° |
| C5 | C6 | C7 | H7 | 97.9° | 179.7° |
| C5 | C6 | C7 | H8 | 144.0° | 60.4° |
| C27 | C6 | C5 | C4 | 44.1° | 48.3° |
| C6 | C27 | C28 | C3 | 178.7° | 179.9° |
| C6 | C27 | C28 | C | 176.6° | 179.8° |
| C6 | C27 | C3 | O | 5.6° | 0.4° |
| C6 | C27 | C3 | C2 | 177.2° | 179.7° |
| C27 | C6 | C5 | H5 | 164.5° | 71.4° |
| C27 | C6 | C5 | H6 | 76.2° | 168.0° |
| C27 | C6 | C7 | H7 | 21.9° | 60.2° |
| C27 | C6 | C7 | H8 | 96.3° | 59.8° |
| C6 | C27 | C28 | H16 | 3.4° | 0.2° |
| C5 | C4 | O | H3 | 120.4° | 119.6° |
| C5 | C4 | O | H4 | 120.3° | 119.8° |
| C5 | C4 | O | C3 | 46.7° | 49.1° |
| C5 | C4 | H3 | H4 | 118.9° | 120.6° |
| C4 | C5 | H5 | H6 | 118.8° | 120.5° |
| C27 | C28 | C | H16 | 180.0° | 179.9° |
| C27 | C28 | C | CL | 175.5° | 180.0° |
| C27 | C28 | C | C1 | 1.4° | 0.0° |
| C28 | C27 | C3 | O | 175.7° | 179.7° |
| C28 | C27 | C3 | C2 | 1.5° | 0.2° |
| C | C28 | C27 | C3 | 2.2° | 0.1° |
| C28 | C | CL | C1 | 177.0° | 180.0° |
| C28 | C | C1 | C2 | 0.0° | 0.0° |
| C28 | C | C1 | H21 | 180.0° | 179.9° |
| C27 | C3 | O | C4 | 19.6° | 17.1° |
| C27 | C3 | O | C2 | 177.3° | 179.8° |
| C27 | C3 | C2 | C1 | 0.0° | 0.1° |
| C3 | C27 | C28 | H16 | 177.9° | 179.9° |
| C27 | C3 | C2 | H20 | 180.0° | 179.9° |
| C4 | O | C3 | C2 | 163.1° | 163.1° |
| O | C4 | H3 | H4 | 118.9° | 120.5° |
| O | C4 | C5 | H5 | 178.8° | 55.0° |
| O | C4 | C5 | H6 | 59.5° | 175.5° |
| CL | C | C1 | C2 | 177.0° | 179.9° |
| CL | C | C28 | H16 | 4.5° | 0.1° |
| CL | C | C1 | H21 | 3.0° | 0.2° |
| C | C1 | C2 | C3 | 0.7° | 0.0° |
| C | C1 | C2 | H21 | 180.0° | 179.9° |
| C1 | C | C28 | H16 | 178.6° | 180.0° |
| C | C1 | C2 | H20 | 179.2° | 180.0° |
| O | C3 | C2 | C1 | 177.3° | 179.8° |
| C3 | O | C4 | H3 | 73.7° | 70.6° |
| C3 | O | C4 | H4 | 167.0° | 168.9° |
| O | C3 | C2 | H20 | 2.6° | 0.3° |
| C3 | C2 | C1 | H20 | 180.0° | 180.0° |
| C3 | C2 | C1 | H21 | 179.3° | 179.9° |
| H1 | N1 | C15 | H12 | 0.6° | 0.2° |
| H3 | C4 | C5 | H5 | 60.8° | 174.7° |
| H3 | C4 | C5 | H6 | 179.9° | 64.8° |
| H4 | C4 | C5 | H5 | 58.5° | 64.7° |
| H4 | C4 | C5 | H6 | 60.8° | 55.8° |
| H9 | C10 | C11 | H24 | 57.8° | 58.7° |
| H9 | C10 | C11 | H25 | 177.3° | 61.2° |
| H9 | C10 | C9 | H26 | 171.4° | 54.8° |
| H9 | C10 | C9 | H27 | 52.3° | 65.6° |
| H10 | C10 | C11 | H24 | 61.9° | 61.4° |
| H10 | C10 | C11 | H25 | 57.7° | 178.7° |
| H10 | C10 | C9 | H26 | 51.8° | 174.8° |
| H10 | C10 | C9 | H27 | 67.3° | 54.4° |
| H11 | C13 | C12 | H22 | 37.8° | 54.8° |
| H11 | C13 | C12 | H23 | 81.4° | 174.9° |
| H14 | C22 | C23 | H18 | 0.5° | 0.1° |
| H15 | C24 | C25 | H17 | 0.2° | 0.0° |
| H15 | C24 | C23 | H18 | 1.0° | 0.1° |
| H20 | C2 | C1 | H21 | 0.7° | 0.0° |
| H22 | C12 | C11 | H24 | 54.4° | 58.6° |
| H22 | C12 | C11 | H25 | 173.9° | 61.3° |
| H23 | C12 | C11 | H24 | 64.8° | 61.4° |
| H23 | C12 | C11 | H25 | 54.7° | 178.7° |
