7OS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C8 | doub | 1.21Å | 1.26Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C8 | O1 | sing | 1.34Å | 1.26Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.56Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C11 | C12 | sing | 1.53Å | 1.49Å | |
| C10 | C6 | sing | 1.53Å | 1.55Å | |
| C10 | C12 | sing | 1.53Å | 1.50Å | |
| C6 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C13 | sing | 1.51Å | 1.51Å | |
| C | O2 | sing | 1.36Å | 1.38Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| O2 | C15 | sing | 1.43Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | C20 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | N | sing | 1.47Å | 1.50Å | |
| C19 | N | sing | 1.47Å | 1.50Å | |
| N | C21 | sing | 1.47Å | 1.53Å | |
| C21 | C29 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| F1 | C28 | sing | 1.40Å | 1.32Å | |
| O3 | C23 | sing | 1.36Å | 1.40Å | |
| O3 | C28 | sing | 1.43Å | 1.33Å | |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | F | sing | 1.35Å | 1.36Å | |
| C26 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C28 | F2 | sing | 1.40Å | 1.33Å | |
| C28 | F3 | sing | 1.40Å | 1.33Å | |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C8 | C7 | 117.2° | 120.0° |
| O | C8 | O1 | 125.0° | 120.0° |
| C7 | C8 | O1 | 117.8° | 120.0° |
| C8 | C7 | C9 | 108.3° | 109.5° |
| C8 | C7 | C6 | 112.7° | 109.5° |
| C8 | C7 | H1 | 107.2° | 109.4° |
| C8 | O1 | H6 | 109.5° | 117.0° |
| C9 | C7 | C6 | 114.1° | 109.5° |
| C9 | C7 | H1 | 107.3° | 109.5° |
| C7 | C9 | H7 | 109.5° | 109.5° |
| C7 | C9 | H8 | 109.4° | 109.5° |
| C7 | C9 | H9 | 109.4° | 109.4° |
| C7 | C6 | C10 | 112.4° | 109.4° |
| C7 | C6 | C4 | 115.8° | 109.5° |
| C6 | C7 | H1 | 106.9° | 109.4° |
| C7 | C6 | H2 | 103.2° | 109.4° |
| C10 | C11 | C12 | 60.1° | 60.0° |
| C11 | C10 | C6 | 121.3° | 117.5° |
| C11 | C10 | C12 | 59.8° | 60.0° |
| C11 | C10 | H10 | 114.4° | 117.6° |
| C10 | C11 | H11 | 120.0° | 117.5° |
| C10 | C11 | H12 | 120.0° | 117.5° |
| C11 | C12 | C10 | 60.1° | 60.0° |
| C12 | C11 | H11 | 120.0° | 117.5° |
| C12 | C11 | H12 | 120.0° | 117.5° |
| C11 | C12 | H13 | 120.0° | 117.5° |
| C11 | C12 | H14 | 120.0° | 117.5° |
| C6 | C10 | C12 | 123.5° | 117.5° |
| C10 | C6 | C4 | 116.3° | 109.5° |
| C10 | C6 | H2 | 103.3° | 109.5° |
| C6 | C10 | H10 | 113.4° | 115.6° |
| C12 | C10 | H10 | 114.3° | 117.5° |
| C10 | C12 | H13 | 120.0° | 117.5° |
| C10 | C12 | H14 | 120.0° | 117.5° |
| C6 | C4 | C3 | 123.4° | 120.0° |
| C6 | C4 | C5 | 118.3° | 120.0° |
| C4 | C6 | H2 | 103.5° | 109.5° |
| C4 | C3 | C2 | 121.1° | 120.0° |
| C3 | C4 | C5 | 118.3° | 120.0° |
| C4 | C3 | H4 | 119.5° | 120.0° |
| C3 | C2 | C1 | 121.0° | 120.3° |
| C2 | C3 | H4 | 119.5° | 120.0° |
| C3 | C2 | H5 | 119.5° | 119.8° |
| C4 | C5 | C | 120.7° | 120.2° |
| C4 | C5 | H3 | 119.7° | 119.9° |
| C2 | C1 | C | 117.9° | 119.9° |
| C2 | C1 | C13 | 121.7° | 118.7° |
| C1 | C2 | H5 | 119.5° | 119.9° |
| C5 | C | C1 | 121.0° | 119.7° |
| C5 | C | O2 | 116.1° | 118.5° |
| C | C5 | H3 | 119.7° | 119.9° |
| C | C1 | C13 | 120.3° | 121.4° |
| C1 | C | O2 | 122.8° | 121.8° |
| C1 | C13 | C14 | 113.4° | 109.7° |
| C1 | C13 | H15 | 108.5° | 109.4° |
| C1 | C13 | H16 | 108.5° | 109.4° |
| C | O2 | C15 | 119.7° | 117.8° |
| C13 | C14 | C15 | 111.2° | 108.3° |
| C14 | C13 | H15 | 108.5° | 109.4° |
| C14 | C13 | H16 | 108.5° | 109.4° |
| C13 | C14 | H17 | 109.0° | 109.7° |
| C13 | C14 | H18 | 109.0° | 109.7° |
| O2 | C15 | C14 | 117.0° | 108.4° |
| O2 | C15 | C16 | 105.6° | 109.7° |
| O2 | C15 | H19 | 106.8° | 109.6° |
| C14 | C15 | C16 | 114.8° | 109.7° |
| C15 | C14 | H17 | 109.1° | 109.7° |
| C15 | C14 | H18 | 109.1° | 109.7° |
| C14 | C15 | H19 | 106.0° | 109.7° |
| C15 | C16 | C17 | 118.5° | 109.5° |
| C15 | C16 | C20 | 117.3° | 109.6° |
| C16 | C15 | H19 | 105.9° | 109.7° |
| C15 | C16 | H20 | 102.8° | 109.5° |
| C17 | C16 | C20 | 110.0° | 109.1° |
| C16 | C17 | C18 | 109.3° | 109.3° |
| C17 | C16 | H20 | 102.7° | 109.5° |
| C16 | C17 | H21 | 109.5° | 109.5° |
| C16 | C17 | H22 | 109.5° | 109.5° |
| C16 | C20 | C19 | 109.3° | 109.3° |
| C20 | C16 | H20 | 102.7° | 109.6° |
| C16 | C20 | H27 | 109.5° | 109.5° |
| C16 | C20 | H28 | 109.5° | 109.5° |
| C17 | C18 | N | 109.0° | 109.5° |
| C18 | C17 | H21 | 109.5° | 109.5° |
| C18 | C17 | H22 | 109.5° | 109.5° |
| C17 | C18 | H23 | 109.6° | 109.4° |
| C17 | C18 | H24 | 109.6° | 109.4° |
| C20 | C19 | N | 109.0° | 109.5° |
| C20 | C19 | H25 | 109.6° | 109.5° |
| C20 | C19 | H26 | 109.6° | 109.4° |
| C19 | C20 | H27 | 109.5° | 109.5° |
| C19 | C20 | H28 | 109.5° | 109.5° |
| C18 | N | C19 | 109.1° | 111.2° |
| C18 | N | C21 | 113.9° | 111.0° |
| N | C18 | H23 | 109.6° | 109.4° |
| N | C18 | H24 | 109.6° | 109.5° |
| C19 | N | C21 | 112.7° | 111.0° |
| N | C19 | H25 | 109.6° | 109.5° |
| N | C19 | H26 | 109.6° | 109.5° |
| N | C21 | C29 | 113.3° | 109.5° |
| N | C21 | C22 | 115.3° | 109.5° |
| N | C21 | H29 | 104.2° | 109.5° |
| C29 | C21 | C22 | 113.9° | 109.5° |
| C29 | C21 | H29 | 104.3° | 109.5° |
| C21 | C29 | H33 | 109.5° | 109.5° |
| C21 | C29 | H34 | 109.5° | 109.5° |
| C21 | C29 | H35 | 109.5° | 109.5° |
| C21 | C22 | C27 | 119.1° | 120.1° |
| C21 | C22 | C23 | 123.5° | 120.0° |
| C22 | C21 | H29 | 104.3° | 109.5° |
| C27 | C22 | C23 | 117.4° | 119.9° |
| C22 | C27 | C26 | 119.4° | 120.1° |
| C22 | C27 | H32 | 120.3° | 119.9° |
| C22 | C23 | O3 | 116.2° | 120.0° |
| C22 | C23 | C24 | 121.8° | 120.0° |
| C27 | C26 | F | 118.4° | 119.9° |
| C27 | C26 | C25 | 123.2° | 120.0° |
| C26 | C27 | H32 | 120.3° | 120.0° |
| F1 | C28 | O3 | 109.0° | 109.5° |
| F1 | C28 | F2 | 107.4° | 109.5° |
| F1 | C28 | F3 | 107.8° | 109.5° |
| C23 | O3 | C28 | 126.3° | 117.0° |
| O3 | C23 | C24 | 121.9° | 120.0° |
| O3 | C28 | F2 | 111.6° | 109.5° |
| O3 | C28 | F3 | 112.5° | 109.5° |
| C23 | C24 | C25 | 119.9° | 119.9° |
| C23 | C24 | H30 | 120.1° | 120.1° |
| F | C26 | C25 | 118.4° | 120.0° |
| C26 | C25 | C24 | 118.3° | 120.1° |
| C26 | C25 | H31 | 120.8° | 119.9° |
| F2 | C28 | F3 | 108.3° | 109.5° |
| C25 | C24 | H30 | 120.0° | 120.0° |
| C24 | C25 | H31 | 120.9° | 120.0° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H7 | C9 | H9 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.4° |
| H11 | C11 | H12 | 109.5° | 115.5° |
| H13 | C12 | H14 | 109.5° | 115.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.7° |
| H21 | C17 | H22 | 109.4° | 109.5° |
| H23 | C18 | H24 | 109.4° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H33 | C29 | H34 | 109.5° | 109.4° |
| H33 | C29 | H35 | 109.5° | 109.5° |
| H34 | C29 | H35 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C8 | C7 | O1 | 179.0° | 179.9° |
| O | C8 | C7 | C9 | 128.4° | 120.0° |
| O | C8 | C7 | C6 | 104.5° | 0.1° |
| O | C8 | C7 | H1 | 12.9° | 120.0° |
| O | C8 | O1 | H6 | 0.0° | 0.1° |
| C8 | C7 | C9 | C6 | 126.4° | 120.0° |
| C8 | C7 | C9 | H1 | 115.4° | 120.0° |
| C8 | C7 | C6 | H1 | 117.6° | 119.9° |
| C8 | C7 | C6 | C10 | 72.2° | 59.9° |
| C8 | C7 | C6 | C4 | 150.8° | 179.9° |
| C8 | C7 | C6 | H2 | 38.4° | 60.0° |
| C7 | C8 | O1 | H6 | 178.9° | 180.0° |
| C8 | C7 | C9 | H7 | 180.0° | 60.0° |
| C8 | C7 | C9 | H8 | 60.0° | 179.9° |
| C8 | C7 | C9 | H9 | 60.0° | 60.0° |
| O1 | C8 | C7 | C9 | 52.6° | 59.9° |
| O1 | C8 | C7 | C6 | 74.5° | 180.0° |
| O1 | C8 | C7 | H1 | 168.1° | 60.1° |
| C9 | C7 | C6 | H1 | 118.4° | 120.1° |
| C9 | C7 | C6 | C10 | 163.7° | 180.0° |
| C9 | C7 | C6 | C4 | 26.7° | 60.0° |
| C9 | C7 | C6 | H2 | 85.6° | 60.0° |
| C7 | C9 | H7 | H8 | 120.0° | 120.0° |
| C7 | C9 | H7 | H9 | 120.0° | 120.0° |
| C7 | C9 | H8 | H9 | 119.9° | 119.9° |
| C7 | C6 | C10 | C11 | 81.3° | 111.4° |
| C7 | C6 | C10 | C4 | 136.8° | 120.0° |
| C7 | C6 | C10 | H2 | 110.6° | 119.9° |
| C7 | C6 | C10 | C12 | 153.6° | 180.0° |
| C7 | C6 | C4 | H2 | 112.2° | 120.0° |
| C7 | C6 | C4 | C3 | 66.6° | 60.0° |
| C7 | C6 | C4 | C5 | 113.5° | 120.0° |
| C6 | C7 | C9 | H7 | 53.7° | 60.0° |
| C6 | C7 | C9 | H8 | 173.7° | 60.0° |
| C6 | C7 | C9 | H9 | 66.4° | 180.0° |
| C7 | C6 | C10 | H10 | 60.8° | 34.4° |
| C10 | C11 | C12 | H11 | 109.5° | 107.5° |
| C10 | C11 | C12 | H12 | 109.5° | 107.5° |
| C11 | C10 | C6 | C12 | 72.3° | 68.6° |
| C11 | C10 | C6 | H10 | 142.1° | 145.8° |
| C11 | C10 | C12 | H10 | 105.1° | 107.6° |
| C11 | C10 | C6 | C4 | 141.9° | 128.6° |
| C11 | C10 | C6 | H2 | 29.3° | 8.5° |
| C10 | C11 | H11 | H12 | 144.7° | 145.7° |
| C10 | C11 | C12 | H13 | 109.5° | 107.5° |
| C10 | C11 | C12 | H14 | 109.5° | 107.5° |
| C12 | C11 | H11 | H12 | 144.7° | 145.6° |
| C11 | C12 | H13 | H14 | 144.7° | 145.7° |
| C6 | C10 | C12 | H10 | 145.3° | 144.9° |
| C10 | C6 | C4 | H2 | 112.5° | 120.0° |
| C10 | C6 | C4 | C3 | 68.7° | 60.0° |
| C10 | C6 | C4 | C5 | 111.2° | 120.0° |
| C10 | C6 | C7 | H1 | 45.3° | 60.0° |
| C6 | C10 | C11 | H11 | 3.6° | 0.1° |
| C6 | C10 | C11 | H12 | 137.4° | 145.1° |
| C6 | C10 | C12 | H13 | 0.1° | 145.0° |
| C6 | C10 | C12 | H14 | 140.9° | 0.0° |
| C12 | C10 | C6 | C4 | 69.6° | 60.0° |
| C12 | C10 | C6 | H2 | 43.0° | 60.1° |
| C10 | C12 | H13 | H14 | 144.7° | 145.7° |
| C6 | C4 | C3 | C5 | 179.9° | 180.0° |
| C6 | C4 | C3 | C2 | 179.9° | 179.9° |
| C6 | C4 | C5 | C | 179.4° | 180.0° |
| C4 | C6 | C7 | H1 | 91.7° | 60.0° |
| C6 | C4 | C5 | H3 | 0.6° | 0.3° |
| C6 | C4 | C3 | H4 | 0.1° | 0.1° |
| C4 | C6 | C10 | H10 | 76.0° | 85.6° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.5° | 0.0° |
| C3 | C4 | C5 | C | 0.7° | 0.0° |
| C3 | C4 | C6 | H2 | 178.8° | 180.0° |
| C3 | C4 | C5 | H3 | 179.3° | 179.7° |
| C4 | C3 | C2 | H5 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C3 | C2 | C1 | H5 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 0.5° | 0.2° |
| C3 | C2 | C1 | C13 | 177.4° | 179.5° |
| C4 | C5 | C | H3 | 180.0° | 179.7° |
| C4 | C5 | C | C1 | 0.7° | 0.2° |
| C4 | C5 | C | O2 | 177.5° | 179.5° |
| C5 | C4 | C6 | H2 | 1.3° | 0.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.8° |
| C2 | C1 | C | C5 | 0.1° | 0.3° |
| C2 | C1 | C | C13 | 177.9° | 179.7° |
| C2 | C1 | C | O2 | 178.0° | 179.4° |
| C2 | C1 | C13 | C14 | 158.9° | 162.3° |
| C1 | C2 | C3 | H4 | 179.4° | 180.0° |
| C2 | C1 | C13 | H15 | 38.3° | 42.2° |
| C2 | C1 | C13 | H16 | 80.5° | 77.7° |
| C5 | C | C1 | O2 | 178.2° | 179.7° |
| C5 | C | C1 | C13 | 178.1° | 179.4° |
| C5 | C | O2 | C15 | 179.6° | 162.8° |
| C | C1 | C13 | C14 | 23.3° | 18.0° |
| C1 | C | O2 | C15 | 1.4° | 17.5° |
| C1 | C | C5 | H3 | 179.3° | 179.5° |
| C | C1 | C2 | H5 | 179.5° | 179.8° |
| C | C1 | C13 | H15 | 143.9° | 138.0° |
| C | C1 | C13 | H16 | 97.3° | 102.1° |
| C13 | C1 | C | O2 | 0.1° | 0.8° |
| C1 | C13 | C14 | H15 | 120.5° | 120.0° |
| C1 | C13 | C14 | H16 | 120.6° | 120.1° |
| C1 | C13 | C14 | C15 | 42.6° | 48.2° |
| C13 | C1 | C2 | H5 | 2.6° | 0.5° |
| C1 | C13 | H15 | H16 | 118.2° | 119.9° |
| C1 | C13 | C14 | H17 | 77.7° | 71.5° |
| C1 | C13 | C14 | H18 | 162.9° | 167.9° |
| C | O2 | C15 | C14 | 21.2° | 49.2° |
| C | O2 | C15 | C16 | 150.2° | 169.0° |
| O2 | C | C5 | H3 | 2.4° | 0.8° |
| C | O2 | C15 | H19 | 97.3° | 70.5° |
| C13 | C14 | C15 | O2 | 42.8° | 64.7° |
| C13 | C14 | C15 | H17 | 120.2° | 119.7° |
| C13 | C14 | C15 | H18 | 120.2° | 119.7° |
| C13 | C14 | C15 | C16 | 167.3° | 175.6° |
| C14 | C13 | H15 | H16 | 118.3° | 119.9° |
| C13 | C14 | H17 | H18 | 119.2° | 120.6° |
| C13 | C14 | C15 | H19 | 76.1° | 55.0° |
| O2 | C15 | C14 | C16 | 124.5° | 119.7° |
| O2 | C15 | C14 | H19 | 118.9° | 119.7° |
| O2 | C15 | C16 | H19 | 113.0° | 120.5° |
| O2 | C15 | C16 | C17 | 43.4° | 60.0° |
| O2 | C15 | C16 | C20 | 179.2° | 59.7° |
| O2 | C15 | C14 | H17 | 77.4° | 55.0° |
| O2 | C15 | C14 | H18 | 163.0° | 175.6° |
| O2 | C15 | C16 | H20 | 69.0° | 179.9° |
| C14 | C15 | C16 | H19 | 116.6° | 120.6° |
| C14 | C15 | C16 | C17 | 87.0° | 178.9° |
| C14 | C15 | C16 | C20 | 48.9° | 59.3° |
| C15 | C14 | C13 | H15 | 163.1° | 168.2° |
| C15 | C14 | C13 | H16 | 78.0° | 71.9° |
| C15 | C14 | H17 | H18 | 119.3° | 120.6° |
| C14 | C15 | C16 | H20 | 160.6° | 61.0° |
| C15 | C16 | C17 | C20 | 138.8° | 119.9° |
| C15 | C16 | C17 | H20 | 112.4° | 120.1° |
| C15 | C16 | C20 | H20 | 111.8° | 120.2° |
| C15 | C16 | C17 | C18 | 163.9° | 177.6° |
| C15 | C16 | C20 | C19 | 163.3° | 177.5° |
| C16 | C15 | C14 | H17 | 47.1° | 64.7° |
| C16 | C15 | C14 | H18 | 72.4° | 55.9° |
| C15 | C16 | C17 | H21 | 43.9° | 62.5° |
| C15 | C16 | C17 | H22 | 76.1° | 57.6° |
| C15 | C16 | C20 | H27 | 76.8° | 57.6° |
| C15 | C16 | C20 | H28 | 43.3° | 62.5° |
| C17 | C16 | C20 | H20 | 108.8° | 119.9° |
| C16 | C17 | C18 | H21 | 120.0° | 120.0° |
| C16 | C17 | C18 | H22 | 120.0° | 119.9° |
| C17 | C16 | C20 | C19 | 57.4° | 57.6° |
| C16 | C17 | C18 | N | 60.1° | 59.1° |
| C17 | C16 | C15 | H19 | 156.4° | 60.5° |
| C16 | C17 | H21 | H22 | 120.1° | 120.1° |
| C16 | C17 | C18 | H23 | 59.8° | 60.8° |
| C16 | C17 | C18 | H24 | 179.9° | 179.2° |
| C17 | C16 | C20 | H27 | 62.6° | 62.4° |
| C17 | C16 | C20 | H28 | 177.4° | 177.6° |
| C20 | C16 | C17 | C18 | 57.3° | 57.6° |
| C16 | C20 | C19 | H27 | 120.0° | 120.0° |
| C16 | C20 | C19 | H28 | 120.0° | 119.9° |
| C16 | C20 | C19 | N | 60.3° | 59.2° |
| C20 | C16 | C15 | H19 | 67.7° | 179.8° |
| C20 | C16 | C17 | H21 | 177.3° | 177.6° |
| C20 | C16 | C17 | H22 | 62.7° | 62.3° |
| C16 | C20 | C19 | H25 | 179.8° | 179.2° |
| C16 | C20 | C19 | H26 | 59.7° | 60.8° |
| C16 | C20 | H27 | H28 | 120.0° | 120.0° |
| C17 | C18 | N | H23 | 120.0° | 120.0° |
| C17 | C18 | N | H24 | 119.9° | 120.0° |
| C17 | C18 | N | C19 | 63.5° | 61.7° |
| C17 | C18 | N | C21 | 169.5° | 174.2° |
| C18 | C17 | C16 | H20 | 51.5° | 62.4° |
| C18 | C17 | H21 | H22 | 120.1° | 120.1° |
| C17 | C18 | H23 | H24 | 120.2° | 119.9° |
| C20 | C19 | N | C18 | 63.6° | 61.7° |
| C20 | C19 | N | H25 | 119.9° | 120.1° |
| C20 | C19 | N | H26 | 119.9° | 120.0° |
| C20 | C19 | N | C21 | 168.8° | 174.2° |
| C19 | C20 | C16 | H20 | 51.5° | 62.3° |
| C20 | C19 | H25 | H26 | 120.2° | 120.0° |
| C19 | C20 | H27 | H28 | 120.1° | 120.1° |
| C18 | N | C19 | C21 | 127.6° | 124.1° |
| C18 | N | C21 | C29 | 35.3° | 60.0° |
| C18 | N | C21 | C22 | 169.0° | 180.0° |
| N | C18 | C17 | H21 | 179.9° | 179.1° |
| N | C18 | C17 | H22 | 59.9° | 60.8° |
| N | C18 | H23 | H24 | 120.2° | 120.0° |
| C18 | N | C19 | H25 | 176.5° | 178.2° |
| C18 | N | C19 | H26 | 56.3° | 58.3° |
| C18 | N | C21 | H29 | 77.4° | 60.0° |
| C19 | N | C21 | C29 | 160.3° | 175.8° |
| C19 | N | C21 | C22 | 66.0° | 55.8° |
| C19 | N | C18 | H23 | 56.4° | 58.3° |
| C19 | N | C18 | H24 | 176.5° | 178.3° |
| N | C19 | H25 | H26 | 120.2° | 120.0° |
| N | C19 | C20 | H27 | 59.7° | 60.8° |
| N | C19 | C20 | H28 | 179.8° | 179.1° |
| C19 | N | C21 | H29 | 47.6° | 64.2° |
| N | C21 | C29 | C22 | 134.4° | 120.0° |
| N | C21 | C29 | H29 | 112.6° | 120.0° |
| N | C21 | C22 | H29 | 113.6° | 120.0° |
| N | C21 | C22 | C27 | 62.6° | 20.0° |
| N | C21 | C22 | C23 | 117.0° | 160.3° |
| C21 | N | C18 | H23 | 70.5° | 65.8° |
| C21 | N | C18 | H24 | 49.6° | 54.2° |
| C21 | N | C19 | H25 | 48.9° | 54.1° |
| C21 | N | C19 | H26 | 71.2° | 65.9° |
| N | C21 | C29 | H33 | 180.0° | 60.0° |
| N | C21 | C29 | H34 | 60.0° | 180.0° |
| N | C21 | C29 | H35 | 60.0° | 60.0° |
| C29 | C21 | C22 | H29 | 113.0° | 120.0° |
| C29 | C21 | C22 | C27 | 70.8° | 100.0° |
| C29 | C21 | C22 | C23 | 109.6° | 79.7° |
| C21 | C29 | H33 | H34 | 120.0° | 120.0° |
| C21 | C29 | H33 | H35 | 120.0° | 120.0° |
| C21 | C29 | H34 | H35 | 120.0° | 120.0° |
| C21 | C22 | C27 | C23 | 179.6° | 179.7° |
| C21 | C22 | C27 | C26 | 180.0° | 179.7° |
| C21 | C22 | C23 | O3 | 1.6° | 0.0° |
| C21 | C22 | C23 | C24 | 179.8° | 180.0° |
| C21 | C22 | C27 | H32 | 0.0° | 0.1° |
| C22 | C21 | C29 | H33 | 45.7° | 60.0° |
| C22 | C21 | C29 | H34 | 165.6° | 60.0° |
| C22 | C21 | C29 | H35 | 74.3° | 180.0° |
| C22 | C27 | C26 | H32 | 180.0° | 179.8° |
| C27 | C22 | C23 | O3 | 177.9° | 179.8° |
| C27 | C22 | C23 | C24 | 0.3° | 0.3° |
| C22 | C27 | C26 | F | 179.1° | 179.7° |
| C22 | C27 | C26 | C25 | 0.3° | 0.5° |
| C27 | C22 | C21 | H29 | 176.2° | 140.0° |
| C23 | C22 | C27 | C26 | 0.4° | 0.5° |
| C22 | C23 | O3 | C24 | 178.2° | 180.0° |
| C22 | C23 | O3 | C28 | 88.1° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C23 | C22 | C21 | H29 | 3.4° | 40.3° |
| C22 | C23 | C24 | H30 | 179.9° | 180.0° |
| C23 | C22 | C27 | H32 | 179.6° | 179.7° |
| C27 | C26 | F | C25 | 179.5° | 179.8° |
| C27 | C26 | C25 | C24 | 0.0° | 0.2° |
| C27 | C26 | C25 | H31 | 180.0° | 179.7° |
| F1 | C28 | O3 | C23 | 107.5° | 60.0° |
| F1 | C28 | O3 | F2 | 118.5° | 120.0° |
| F1 | C28 | O3 | F3 | 119.5° | 120.0° |
| F1 | C28 | F2 | F3 | 116.2° | 120.0° |
| C23 | O3 | C28 | F2 | 134.0° | 60.0° |
| C23 | O3 | C28 | F3 | 12.1° | 180.0° |
| O3 | C23 | C24 | C25 | 178.1° | 180.0° |
| O3 | C23 | C24 | H30 | 1.9° | 0.0° |
| C28 | O3 | C23 | C24 | 93.7° | 0.0° |
| O3 | C28 | F2 | F3 | 124.4° | 120.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C23 | C24 | C25 | H30 | 180.0° | 180.0° |
| C23 | C24 | C25 | H31 | 179.9° | 180.0° |
| F | C26 | C25 | C24 | 179.5° | 180.0° |
| F | C26 | C25 | H31 | 0.6° | 0.0° |
| F | C26 | C27 | H32 | 0.8° | 0.1° |
| C26 | C25 | C24 | H31 | 180.0° | 180.0° |
| C26 | C25 | C24 | H30 | 179.8° | 180.0° |
| C25 | C26 | C27 | H32 | 179.7° | 179.7° |
| H1 | C7 | C6 | H2 | 156.0° | 179.9° |
| H1 | C7 | C9 | H7 | 64.6° | 180.0° |
| H1 | C7 | C9 | H8 | 55.4° | 59.9° |
| H1 | C7 | C9 | H9 | 175.4° | 60.0° |
| H2 | C6 | C10 | H10 | 171.4° | 154.3° |
| H4 | C3 | C2 | H5 | 0.6° | 0.0° |
| H7 | C9 | H8 | H9 | 120.0° | 120.0° |
| H10 | C10 | C11 | H11 | 145.4° | 145.1° |
| H10 | C10 | C11 | H12 | 4.5° | 0.0° |
| H10 | C10 | C12 | H13 | 145.4° | 0.1° |
| H10 | C10 | C12 | H14 | 4.4° | 145.0° |
| H11 | C11 | C12 | H13 | 0.0° | 145.0° |
| H11 | C11 | C12 | H14 | 141.0° | 0.0° |
| H12 | C11 | C12 | H13 | 141.0° | 0.0° |
| H12 | C11 | C12 | H14 | 0.0° | 145.0° |
| H15 | C13 | C14 | H17 | 42.9° | 48.5° |
| H15 | C13 | C14 | H18 | 76.6° | 72.1° |
| H16 | C13 | C14 | H17 | 161.7° | 168.4° |
| H16 | C13 | C14 | H18 | 42.3° | 47.9° |
| H17 | C14 | C15 | H19 | 163.7° | 174.7° |
| H18 | C14 | C15 | H19 | 44.1° | 64.7° |
| H19 | C15 | C16 | H20 | 44.1° | 59.5° |
| H20 | C16 | C17 | H21 | 68.5° | 57.6° |
| H20 | C16 | C17 | H22 | 171.5° | 177.7° |
| H20 | C16 | C20 | H27 | 171.4° | 177.8° |
| H20 | C16 | C20 | H28 | 68.5° | 57.7° |
| H21 | C17 | C18 | H23 | 60.1° | 59.1° |
| H21 | C17 | C18 | H24 | 60.0° | 60.8° |
| H22 | C17 | C18 | H23 | 179.8° | 179.2° |
| H22 | C17 | C18 | H24 | 60.1° | 59.3° |
| H25 | C19 | C20 | H27 | 60.2° | 59.2° |
| H25 | C19 | C20 | H28 | 59.8° | 60.9° |
| H26 | C19 | C20 | H27 | 179.6° | 179.2° |
| H26 | C19 | C20 | H28 | 60.3° | 59.1° |
| H29 | C21 | C29 | H33 | 67.4° | 180.0° |
| H29 | C21 | C29 | H34 | 52.6° | 60.0° |
| H29 | C21 | C29 | H35 | 172.6° | 60.0° |
| H30 | C24 | C25 | H31 | 0.2° | 0.0° |
| H33 | C29 | H34 | H35 | 120.0° | 120.0° |
