QU9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | N2 | sing | 1.34Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.35Å | 1.35Å | Aromatic |
| N2 | C16 | doub | 1.31Å | 1.31Å | Aromatic |
| C22 | C23 | doub | 1.36Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| C20 | N4 | sing | 1.31Å | 1.33Å | Aromatic |
| C10 | C9 | sing | 1.55Å | 1.51Å | |
| C10 | C11 | sing | 1.55Å | 1.52Å | |
| C21 | C26 | sing | 1.42Å | 1.42Å | Aromatic |
| C14 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| N4 | C19 | doub | 1.33Å | 1.34Å | Aromatic |
| C24 | C25 | doub | 1.36Å | 1.37Å | Aromatic |
| C16 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.42Å | Aromatic |
| C26 | C18 | doub | 1.41Å | 1.43Å | Aromatic |
| C9 | N | sing | 1.47Å | 1.48Å | |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| N1 | C13 | sing | 1.46Å | 1.46Å | |
| C18 | N3 | sing | 1.40Å | 1.42Å | |
| N3 | C17 | sing | 1.35Å | 1.36Å | |
| N | C12 | sing | 1.47Å | 1.48Å | |
| N | C8 | sing | 1.35Å | 1.36Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C8 | O1 | doub | 1.21Å | 1.23Å | |
| C17 | C6 | sing | 1.51Å | 1.54Å | |
| 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 | 1.51Å | |
| C28 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C3 | sing | 1.38Å | 1.40Å | 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 |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | 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 | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.08Å | 1.08Å | |
| C14 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C15 | C14 | 110.5° | 108.0° |
| C15 | N2 | C16 | 104.7° | 109.2° |
| N2 | C15 | H12 | 124.7° | 125.9° |
| C15 | C14 | N1 | 106.0° | 106.8° |
| C14 | C15 | H12 | 124.8° | 126.0° |
| C15 | C14 | H28 | 127.0° | 126.6° |
| N2 | C16 | N1 | 112.3° | 108.7° |
| N2 | C16 | H27 | 123.9° | 125.6° |
| C23 | C22 | C21 | 120.5° | 119.5° |
| C22 | C23 | C24 | 120.6° | 121.1° |
| C23 | C22 | H14 | 119.7° | 120.3° |
| C22 | C23 | H18 | 119.7° | 119.4° |
| C22 | C21 | C20 | 123.1° | 122.0° |
| C22 | C21 | C26 | 119.1° | 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 | 119.7° | 119.5° |
| C21 | C20 | N4 | 124.2° | 120.2° |
| C20 | C21 | C26 | 117.8° | 118.7° |
| C21 | C20 | H13 | 117.9° | 119.9° |
| C20 | N4 | C19 | 117.5° | 122.9° |
| N4 | C20 | H13 | 117.9° | 119.9° |
| C9 | C10 | C11 | 105.3° | 101.6° |
| C10 | C9 | N | 104.0° | 104.8° |
| C9 | C10 | H8 | 110.5° | 111.0° |
| C9 | C10 | H9 | 110.5° | 111.0° |
| C10 | C9 | H25 | 110.8° | 110.4° |
| C10 | C9 | H26 | 110.8° | 110.3° |
| C10 | C11 | C12 | 105.0° | 103.0° |
| C11 | C10 | H8 | 110.5° | 111.0° |
| C11 | C10 | H9 | 110.5° | 111.0° |
| C10 | C11 | H23 | 110.6° | 110.8° |
| C10 | C11 | H24 | 110.6° | 110.7° |
| C21 | C26 | C25 | 118.1° | 119.6° |
| C21 | C26 | C18 | 118.1° | 118.2° |
| C14 | N1 | C16 | 106.6° | 107.2° |
| C14 | N1 | C13 | 126.2° | 126.4° |
| N1 | C14 | H28 | 127.0° | 126.6° |
| N4 | C19 | C18 | 125.1° | 121.6° |
| N4 | C19 | H19 | 117.4° | 119.2° |
| C24 | C25 | C26 | 121.0° | 119.5° |
| C25 | C24 | H15 | 119.7° | 119.5° |
| C24 | C25 | H17 | 119.5° | 120.3° |
| C16 | N1 | C13 | 127.1° | 126.4° |
| N1 | C16 | H27 | 123.9° | 125.6° |
| C25 | C26 | C18 | 123.8° | 122.2° |
| C26 | C25 | H17 | 119.5° | 120.2° |
| C26 | C18 | C19 | 117.3° | 118.5° |
| C26 | C18 | N3 | 118.7° | 120.8° |
| C9 | N | C12 | 112.4° | 108.7° |
| C9 | N | C8 | 124.5° | 125.6° |
| N | C9 | H25 | 110.8° | 110.4° |
| N | C9 | H26 | 110.8° | 110.3° |
| C19 | C18 | N3 | 123.9° | 120.8° |
| C18 | C19 | H19 | 117.4° | 119.2° |
| C11 | C12 | N | 103.2° | 107.2° |
| C11 | C12 | C13 | 114.1° | 109.9° |
| C11 | C12 | H22 | 107.7° | 110.0° |
| C12 | C11 | H23 | 110.5° | 110.7° |
| C12 | C11 | H24 | 110.6° | 110.7° |
| N1 | C13 | C12 | 112.4° | 109.5° |
| N1 | C13 | H10 | 108.7° | 109.5° |
| N1 | C13 | H11 | 108.7° | 109.5° |
| C18 | N3 | C17 | 127.0° | 120.0° |
| C18 | N3 | H1 | 116.5° | 120.0° |
| N3 | C17 | C6 | 117.3° | 120.0° |
| N3 | C17 | O2 | 122.2° | 120.0° |
| C17 | N3 | H1 | 116.5° | 120.0° |
| C12 | N | C8 | 123.0° | 125.6° |
| N | C12 | C13 | 115.5° | 109.8° |
| N | C12 | H22 | 108.4° | 109.9° |
| N | C8 | C7 | 116.1° | 120.0° |
| N | C8 | O1 | 120.7° | 120.0° |
| C12 | C13 | H10 | 108.7° | 109.4° |
| C12 | C13 | H11 | 108.7° | 109.5° |
| C13 | C12 | H22 | 107.6° | 109.9° |
| C8 | C7 | C6 | 116.6° | 109.5° |
| C7 | C8 | O1 | 123.2° | 120.0° |
| C8 | C7 | H6 | 107.6° | 109.5° |
| C8 | C7 | H7 | 107.6° | 109.5° |
| C7 | C6 | C17 | 108.7° | 109.4° |
| C7 | C6 | C5 | 111.9° | 109.5° |
| C7 | C6 | C27 | 109.9° | 109.5° |
| C6 | C7 | H6 | 107.7° | 109.5° |
| C6 | C7 | H7 | 107.7° | 109.4° |
| C6 | C17 | O2 | 120.6° | 120.0° |
| C17 | C6 | C5 | 105.1° | 109.4° |
| C17 | C6 | C27 | 110.4° | 109.4° |
| C5 | C6 | C27 | 110.7° | 109.7° |
| C6 | C5 | C4 | 111.7° | 108.3° |
| C6 | C5 | H4 | 108.9° | 109.7° |
| C6 | C5 | H5 | 108.9° | 109.7° |
| C6 | C27 | C28 | 121.1° | 118.7° |
| C6 | C27 | C3 | 120.7° | 121.4° |
| C5 | C4 | O | 111.9° | 108.4° |
| C5 | C4 | H2 | 108.9° | 109.7° |
| C5 | C4 | H3 | 108.9° | 109.7° |
| C4 | C5 | H4 | 108.9° | 109.7° |
| C4 | C5 | H5 | 108.9° | 109.7° |
| C27 | C28 | C | 119.5° | 120.3° |
| C28 | C27 | C3 | 118.1° | 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° | 119.8° |
| C27 | C3 | O | 122.9° | 121.8° |
| C27 | C3 | C2 | 121.6° | 119.7° |
| C4 | O | C3 | 115.8° | 117.9° |
| O | C4 | H2 | 108.8° | 109.7° |
| O | C4 | H3 | 108.9° | 109.7° |
| CL | C | C1 | 119.1° | 120.0° |
| C | C1 | C2 | 119.3° | 120.0° |
| C | C1 | H21 | 120.4° | 120.0° |
| O | C3 | C2 | 115.4° | 118.4° |
| 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° |
| H2 | C4 | H3 | 109.5° | 109.6° |
| H4 | C5 | H5 | 109.4° | 109.7° |
| H6 | C7 | H7 | 109.4° | 109.5° |
| H8 | C10 | H9 | 109.4° | 110.9° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.5° | 110.8° |
| H25 | C9 | H26 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C15 | C14 | H12 | 180.0° | 179.7° |
| N2 | C15 | C14 | N1 | 0.3° | 0.4° |
| C15 | N2 | C16 | N1 | 0.8° | 0.1° |
| C15 | N2 | C16 | H27 | 179.3° | 180.0° |
| N2 | C15 | C14 | H28 | 179.7° | 180.0° |
| C14 | C15 | N2 | C16 | 0.3° | 0.2° |
| C15 | C14 | N1 | H28 | 180.0° | 179.6° |
| C15 | C14 | N1 | C16 | 0.7° | 0.5° |
| C15 | C14 | N1 | C13 | 176.5° | 179.9° |
| N2 | C16 | N1 | C14 | 1.0° | 0.3° |
| N2 | C16 | N1 | H27 | 180.0° | 179.9° |
| N2 | C16 | N1 | C13 | 176.3° | 180.0° |
| C16 | N2 | C15 | H12 | 179.7° | 180.0° |
| C23 | C22 | C21 | H14 | 180.0° | 180.0° |
| C22 | C23 | C24 | H18 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 179.7° | 180.0° |
| C23 | C22 | C21 | C26 | 0.4° | 0.0° |
| C22 | C23 | C24 | C25 | 0.2° | 0.0° |
| C22 | C23 | C24 | H15 | 179.9° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C22 | C21 | C20 | C26 | 179.3° | 180.0° |
| C22 | C21 | C20 | N4 | 179.9° | 180.0° |
| C22 | C21 | C26 | C25 | 0.4° | 0.1° |
| C22 | C21 | C26 | C18 | 178.6° | 180.0° |
| C22 | C21 | C20 | H13 | 0.1° | 0.3° |
| C21 | C22 | C23 | H18 | 179.9° | 180.0° |
| C23 | C24 | C25 | H15 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.2° | 0.1° |
| C24 | C23 | C22 | H14 | 179.9° | 180.0° |
| C23 | C24 | C25 | H17 | 179.9° | 180.0° |
| C21 | C20 | N4 | H13 | 180.0° | 179.7° |
| C21 | C20 | N4 | C19 | 0.8° | 0.0° |
| C20 | C21 | C26 | C25 | 179.7° | 180.0° |
| C20 | C21 | C26 | C18 | 0.7° | 0.1° |
| C20 | C21 | C22 | H14 | 0.3° | 0.0° |
| N4 | C20 | C21 | C26 | 0.6° | 0.0° |
| C20 | N4 | C19 | C18 | 0.3° | 0.0° |
| C20 | N4 | C19 | H19 | 179.7° | 180.0° |
| C9 | C10 | C11 | H8 | 119.3° | 118.1° |
| C9 | C10 | C11 | H9 | 119.4° | 118.1° |
| C10 | C9 | N | H25 | 119.1° | 118.9° |
| C10 | C9 | N | H26 | 119.1° | 118.8° |
| C9 | C10 | C11 | C12 | 32.7° | 35.5° |
| C10 | C9 | N | C12 | 10.3° | 24.1° |
| C10 | C9 | N | C8 | 172.0° | 155.9° |
| C9 | C10 | H8 | H9 | 121.9° | 123.8° |
| C9 | C10 | C11 | H23 | 151.9° | 82.9° |
| C9 | C10 | C11 | H24 | 86.6° | 153.8° |
| C10 | C9 | H25 | H26 | 122.6° | 122.3° |
| C11 | C10 | C9 | N | 26.2° | 37.0° |
| C10 | C11 | C12 | H23 | 119.3° | 118.4° |
| C10 | C11 | C12 | H24 | 119.3° | 118.4° |
| C10 | C11 | C12 | N | 25.6° | 22.2° |
| C10 | C11 | C12 | C13 | 100.5° | 141.6° |
| C11 | C10 | H8 | H9 | 122.0° | 123.9° |
| C10 | C11 | C12 | H22 | 140.1° | 97.2° |
| C10 | C11 | H23 | H24 | 122.1° | 123.3° |
| C11 | C10 | C9 | H25 | 92.9° | 155.8° |
| C11 | C10 | C9 | H26 | 145.3° | 81.8° |
| C21 | C26 | C25 | C24 | 0.1° | 0.1° |
| C21 | C26 | C25 | C18 | 178.9° | 179.9° |
| C21 | C26 | C18 | C19 | 1.8° | 0.1° |
| C21 | C26 | C18 | N3 | 173.8° | 180.0° |
| C26 | C21 | C20 | H13 | 179.4° | 179.7° |
| C26 | C21 | C22 | H14 | 179.6° | 180.0° |
| C21 | C26 | C25 | H17 | 179.9° | 180.0° |
| C14 | N1 | C16 | C13 | 177.2° | 179.7° |
| C14 | N1 | C13 | C12 | 103.3° | 77.3° |
| C14 | N1 | C13 | H10 | 136.3° | 42.6° |
| C14 | N1 | C13 | H11 | 17.1° | 162.7° |
| N1 | C14 | C15 | H12 | 179.7° | 179.9° |
| C14 | N1 | C16 | H27 | 179.1° | 179.8° |
| N4 | C19 | C18 | C26 | 1.6° | 0.0° |
| N4 | C19 | C18 | H19 | 180.0° | 180.0° |
| N4 | C19 | C18 | N3 | 173.7° | 180.0° |
| C19 | N4 | C20 | H13 | 179.2° | 179.7° |
| C24 | C25 | C26 | H17 | 180.0° | 179.9° |
| C24 | C25 | C26 | C18 | 178.8° | 180.0° |
| C25 | C24 | C23 | H18 | 179.8° | 179.9° |
| C16 | N1 | C13 | C12 | 73.4° | 103.1° |
| C16 | N1 | C13 | H10 | 47.0° | 137.0° |
| C16 | N1 | C13 | H11 | 166.2° | 16.9° |
| C16 | N1 | C14 | H28 | 179.3° | 180.0° |
| C25 | C26 | C18 | C19 | 179.3° | 179.9° |
| C25 | C26 | C18 | N3 | 5.1° | 0.1° |
| C26 | C25 | C24 | H15 | 179.8° | 180.0° |
| C26 | C18 | C19 | N3 | 175.3° | 180.0° |
| C26 | C18 | N3 | C17 | 102.6° | 162.9° |
| C26 | C18 | N3 | H1 | 77.3° | 17.1° |
| C18 | C26 | C25 | H17 | 1.2° | 0.1° |
| C26 | C18 | C19 | H19 | 178.4° | 180.0° |
| C9 | N | C12 | C11 | 9.6° | 1.0° |
| C9 | N | C12 | C8 | 177.7° | 180.0° |
| C9 | N | C12 | C13 | 115.6° | 118.4° |
| C9 | N | C8 | C7 | 4.1° | 6.1° |
| C9 | N | C8 | O1 | 174.8° | 173.8° |
| N | C9 | C10 | H8 | 93.1° | 81.1° |
| N | C9 | C10 | H9 | 145.6° | 155.1° |
| C9 | N | C12 | H22 | 123.5° | 120.5° |
| N | C9 | H25 | H26 | 122.5° | 122.3° |
| C19 | C18 | N3 | C17 | 72.6° | 17.2° |
| C19 | C18 | N3 | H1 | 107.4° | 162.9° |
| C11 | C12 | C13 | N1 | 58.2° | 173.9° |
| C11 | C12 | N | C13 | 125.2° | 119.4° |
| C11 | C12 | N | H22 | 114.0° | 119.5° |
| C11 | C12 | N | C8 | 168.2° | 179.0° |
| C11 | C12 | C13 | H22 | 119.4° | 121.2° |
| C12 | C11 | C10 | H8 | 86.6° | 82.6° |
| C12 | C11 | C10 | H9 | 152.0° | 153.6° |
| C11 | C12 | C13 | H10 | 178.7° | 53.9° |
| C11 | C12 | C13 | H11 | 62.2° | 66.0° |
| C12 | C11 | H23 | H24 | 122.0° | 123.1° |
| N1 | C13 | C12 | N | 61.1° | 68.4° |
| N1 | C13 | C12 | H10 | 120.4° | 120.0° |
| N1 | C13 | C12 | H11 | 120.4° | 120.1° |
| N1 | C13 | H10 | H11 | 118.7° | 120.1° |
| N1 | C13 | C12 | H22 | 177.7° | 52.7° |
| C13 | N1 | C16 | H27 | 3.7° | 0.1° |
| C13 | N1 | C14 | H28 | 3.5° | 0.3° |
| C18 | N3 | C17 | H1 | 180.0° | 180.0° |
| C18 | N3 | C17 | C6 | 177.3° | 174.3° |
| C18 | N3 | C17 | O2 | 3.9° | 5.7° |
| N3 | C18 | C19 | H19 | 6.3° | 0.0° |
| N3 | C17 | C6 | C7 | 32.0° | 55.2° |
| N3 | C17 | C6 | O2 | 178.8° | 180.0° |
| N3 | C17 | C6 | C5 | 88.0° | 175.1° |
| N3 | C17 | C6 | C27 | 152.6° | 64.7° |
| N | C12 | C13 | H22 | 121.2° | 121.0° |
| C12 | N | C8 | C7 | 178.4° | 173.9° |
| C12 | N | C8 | O1 | 2.7° | 6.2° |
| N | C12 | C13 | H10 | 59.3° | 171.7° |
| N | C12 | C13 | H11 | 178.5° | 51.7° |
| N | C12 | C11 | H23 | 144.9° | 96.2° |
| N | C12 | C11 | H24 | 93.8° | 140.6° |
| C12 | N | C9 | H25 | 108.8° | 143.0° |
| C12 | N | C9 | H26 | 129.4° | 94.7° |
| C8 | N | C12 | C13 | 66.6° | 61.6° |
| N | C8 | C7 | O1 | 178.9° | 180.0° |
| N | C8 | C7 | C6 | 178.9° | 174.2° |
| N | C8 | C7 | H6 | 57.8° | 65.7° |
| N | C8 | C7 | H7 | 60.0° | 54.3° |
| C8 | N | C12 | H22 | 54.2° | 59.4° |
| C8 | N | C9 | H25 | 68.9° | 37.0° |
| C8 | N | C9 | H26 | 52.9° | 85.3° |
| C12 | C13 | H10 | H11 | 118.7° | 120.0° |
| C13 | C12 | C11 | H23 | 18.8° | 23.1° |
| C13 | C12 | C11 | H24 | 140.2° | 100.0° |
| C8 | C7 | C6 | H6 | 121.1° | 120.0° |
| C8 | C7 | C6 | H7 | 121.0° | 120.0° |
| C8 | C7 | C6 | C17 | 177.3° | 62.7° |
| C8 | C7 | C6 | C5 | 67.1° | 57.2° |
| C8 | C7 | C6 | C27 | 56.3° | 177.5° |
| C8 | C7 | H6 | H7 | 116.7° | 120.0° |
| C6 | C7 | C8 | O1 | 0.1° | 5.7° |
| C7 | C6 | C17 | C5 | 120.0° | 119.9° |
| C7 | C6 | C17 | C27 | 120.6° | 119.9° |
| C7 | C6 | C17 | O2 | 149.2° | 124.9° |
| C7 | C6 | C5 | C27 | 122.9° | 120.1° |
| C7 | C6 | C5 | C4 | 162.1° | 168.3° |
| C7 | C6 | C27 | C28 | 41.9° | 42.1° |
| C7 | C6 | C27 | C3 | 140.0° | 137.9° |
| C7 | C6 | C5 | H4 | 77.5° | 48.7° |
| C7 | C6 | C5 | H5 | 41.8° | 71.9° |
| C6 | C7 | H6 | H7 | 116.8° | 119.9° |
| O1 | C8 | C7 | H6 | 121.0° | 114.3° |
| O1 | C8 | C7 | H7 | 121.1° | 125.7° |
| C17 | C6 | C5 | C27 | 119.3° | 120.0° |
| C17 | C6 | C5 | C4 | 80.1° | 71.8° |
| C17 | C6 | C27 | C28 | 78.0° | 77.7° |
| C17 | C6 | C27 | C3 | 100.1° | 102.3° |
| C6 | C17 | N3 | H1 | 2.7° | 5.8° |
| C17 | C6 | C5 | H4 | 40.3° | 168.5° |
| C17 | C6 | C5 | H5 | 159.6° | 47.9° |
| C17 | C6 | C7 | H6 | 56.2° | 57.4° |
| C17 | C6 | C7 | H7 | 61.7° | 177.3° |
| O2 | C17 | C6 | C5 | 90.8° | 4.9° |
| O2 | C17 | C6 | C27 | 28.6° | 115.3° |
| O2 | C17 | N3 | H1 | 176.0° | 174.2° |
| C6 | C5 | C4 | H4 | 120.4° | 119.7° |
| C6 | C5 | C4 | H5 | 120.4° | 119.7° |
| C5 | C6 | C27 | C28 | 166.1° | 162.2° |
| C5 | C6 | C27 | C3 | 15.8° | 17.8° |
| C6 | C5 | C4 | O | 57.8° | 64.7° |
| C6 | C5 | C4 | H2 | 62.6° | 55.0° |
| C6 | C5 | C4 | H3 | 178.1° | 175.5° |
| C6 | C5 | H4 | H5 | 119.0° | 120.6° |
| C5 | C6 | C7 | H6 | 171.8° | 177.3° |
| C5 | C6 | C7 | H7 | 53.9° | 62.8° |
| C27 | C6 | C5 | C4 | 39.2° | 48.2° |
| C6 | C27 | C28 | C3 | 178.1° | 180.0° |
| C6 | C27 | C28 | C | 176.1° | 179.8° |
| C6 | C27 | C3 | O | 8.8° | 0.3° |
| C6 | C27 | C3 | C2 | 175.9° | 179.8° |
| C27 | C6 | C5 | H4 | 159.5° | 71.5° |
| C27 | C6 | C5 | H5 | 81.2° | 168.0° |
| C27 | C6 | C7 | H6 | 64.8° | 62.5° |
| C27 | C6 | C7 | H7 | 177.3° | 57.5° |
| C6 | C27 | C28 | H16 | 4.0° | 0.1° |
| C5 | C4 | O | H2 | 120.4° | 119.8° |
| C5 | C4 | O | H3 | 120.4° | 119.8° |
| C5 | C4 | O | C3 | 50.5° | 49.1° |
| C5 | C4 | H2 | H3 | 118.9° | 120.5° |
| C4 | C5 | H4 | H5 | 119.0° | 120.6° |
| C27 | C28 | C | H16 | 180.0° | 179.9° |
| C27 | C28 | C | CL | 176.1° | 179.9° |
| C27 | C28 | C | C1 | 0.9° | 0.1° |
| C28 | C27 | C3 | O | 173.1° | 179.7° |
| C28 | C27 | C3 | C2 | 2.3° | 0.2° |
| C | C28 | C27 | C3 | 2.1° | 0.2° |
| C28 | C | CL | C1 | 177.1° | 179.9° |
| C28 | C | C1 | C2 | 0.2° | 0.0° |
| C28 | C | C1 | H21 | 179.8° | 180.0° |
| C27 | C3 | O | C4 | 26.1° | 17.0° |
| C27 | C3 | O | C2 | 175.6° | 179.9° |
| C27 | C3 | C2 | C1 | 1.2° | 0.1° |
| C3 | C27 | C28 | H16 | 177.9° | 179.9° |
| C27 | C3 | C2 | H20 | 178.8° | 179.9° |
| C4 | O | C3 | C2 | 158.3° | 163.1° |
| O | C4 | H2 | H3 | 118.9° | 120.5° |
| O | C4 | C5 | H4 | 178.1° | 55.0° |
| O | C4 | C5 | H5 | 62.6° | 175.5° |
| CL | C | C1 | C2 | 177.2° | 179.9° |
| CL | C | C28 | H16 | 3.9° | 0.1° |
| CL | C | C1 | H21 | 2.8° | 0.2° |
| C | C1 | C2 | C3 | 0.1° | 0.0° |
| C | C1 | C2 | H21 | 180.0° | 180.0° |
| C1 | C | C28 | H16 | 179.1° | 180.0° |
| C | C1 | C2 | H20 | 179.9° | 180.0° |
| O | C3 | C2 | C1 | 174.5° | 179.8° |
| C3 | O | C4 | H2 | 69.9° | 70.7° |
| C3 | O | C4 | H3 | 170.8° | 168.9° |
| O | C3 | C2 | H20 | 5.5° | 0.2° |
| C3 | C2 | C1 | H20 | 180.0° | 180.0° |
| C3 | C2 | C1 | H21 | 179.9° | 180.0° |
| H2 | C4 | C5 | H4 | 57.8° | 174.7° |
| H2 | C4 | C5 | H5 | 177.1° | 64.7° |
| H3 | C4 | C5 | H4 | 61.5° | 64.8° |
| H3 | C4 | C5 | H5 | 57.8° | 55.8° |
| H8 | C10 | C11 | H23 | 32.6° | 159.1° |
| H8 | C10 | C11 | H24 | 154.0° | 35.8° |
| H8 | C10 | C9 | H25 | 147.8° | 37.7° |
| H8 | C10 | C9 | H26 | 26.0° | 160.1° |
| H9 | C10 | C11 | H23 | 88.7° | 35.3° |
| H9 | C10 | C11 | H24 | 32.7° | 88.1° |
| H9 | C10 | C9 | H25 | 26.5° | 86.0° |
| H9 | C10 | C9 | H26 | 95.3° | 36.3° |
| H10 | C13 | C12 | H22 | 61.9° | 67.3° |
| H11 | C13 | C12 | H22 | 57.3° | 172.7° |
| H12 | C15 | C14 | H28 | 0.3° | 0.3° |
| H14 | C22 | C23 | H18 | 0.1° | 0.0° |
| H15 | C24 | C25 | H17 | 0.1° | 0.1° |
| H15 | C24 | C23 | H18 | 0.2° | 0.0° |
| H20 | C2 | C1 | H21 | 0.1° | 0.0° |
| H22 | C12 | C11 | H23 | 100.6° | 144.3° |
| H22 | C12 | C11 | H24 | 20.7° | 21.1° |
