A7O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C7 | doub | 1.22Å | 1.21Å | |
| C11 | C12 | sing | 1.54Å | 1.55Å | |
| C11 | C10 | sing | 1.54Å | 1.56Å | |
| C11 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | N8 | sing | 1.48Å | 1.45Å | |
| C7 | N8 | sing | 1.35Å | 1.34Å | |
| C7 | C4 | sing | 1.48Å | 1.51Å | |
| N8 | C10 | sing | 1.48Å | 1.48Å | |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.51Å | 1.51Å | |
| C6 | O23 | sing | 1.43Å | 1.40Å | |
| C4 | N22 | sing | 1.33Å | 1.36Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | O23 | sing | 1.43Å | 1.41Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| N22 | C3 | doub | 1.31Å | 1.34Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C34 | O35 | sing | 1.43Å | 1.41Å | |
| C33 | O36 | sing | 1.43Å | 1.39Å | |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | O21 | sing | 1.36Å | 1.36Å | |
| C24 | O21 | sing | 1.43Å | 1.41Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C17 | O19 | sing | 1.36Å | 1.37Å | |
| C25 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| O19 | C20 | sing | 1.43Å | 1.40Å | |
| C29 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.37Å | Aromatic |
| C28 | C31 | sing | 1.51Å | 1.50Å | |
| C31 | C37 | sing | 1.53Å | 1.51Å | |
| C31 | C38 | sing | 1.53Å | 1.51Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| O36 | H16 | sing | 0.97Å | 0.95Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| O35 | H19 | sing | 0.97Å | 0.95Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C7 | N8 | 120.7° | 120.0° |
| O9 | C7 | C4 | 119.1° | 120.0° |
| C12 | C11 | C10 | 86.8° | 86.3° |
| C12 | C11 | C13 | 105.9° | 113.8° |
| C11 | C12 | N8 | 89.2° | 86.2° |
| C12 | C11 | H8 | 111.6° | 113.8° |
| C11 | C12 | H9 | 114.3° | 113.8° |
| C11 | C12 | H10 | 114.3° | 113.8° |
| C10 | C11 | C13 | 125.1° | 113.8° |
| C11 | C10 | N8 | 88.1° | 86.2° |
| C11 | C10 | H6 | 114.5° | 113.8° |
| C11 | C10 | H7 | 114.5° | 113.8° |
| C10 | C11 | H8 | 111.5° | 113.7° |
| C11 | C13 | C14 | 121.9° | 119.9° |
| C11 | C13 | C18 | 119.2° | 119.9° |
| C13 | C11 | H8 | 112.3° | 113.0° |
| C12 | N8 | C7 | 129.8° | 134.6° |
| C12 | N8 | C10 | 93.6° | 90.8° |
| N8 | C12 | H9 | 114.3° | 113.7° |
| N8 | C12 | H10 | 114.3° | 113.8° |
| N8 | C7 | C4 | 120.1° | 120.0° |
| C7 | N8 | C10 | 136.6° | 134.6° |
| C7 | C4 | C5 | 119.6° | 119.8° |
| C7 | C4 | N22 | 119.4° | 119.7° |
| N8 | C10 | H6 | 114.5° | 113.8° |
| N8 | C10 | H7 | 114.5° | 113.8° |
| C4 | C5 | C1 | 119.6° | 119.1° |
| C5 | C4 | N22 | 121.0° | 120.5° |
| C4 | C5 | H3 | 120.2° | 120.5° |
| C5 | C1 | C6 | 118.7° | 120.8° |
| C5 | C1 | C2 | 119.1° | 118.4° |
| C1 | C5 | H3 | 120.2° | 120.4° |
| C13 | C14 | C15 | 119.6° | 120.2° |
| C14 | C13 | C18 | 118.6° | 120.2° |
| C13 | C14 | H11 | 120.2° | 119.9° |
| C14 | C15 | C16 | 121.4° | 120.0° |
| C15 | C14 | H11 | 120.2° | 119.9° |
| C14 | C15 | H12 | 119.3° | 120.0° |
| C1 | C6 | O23 | 111.0° | 109.5° |
| C6 | C1 | C2 | 122.1° | 120.8° |
| C1 | C6 | H4 | 109.1° | 109.5° |
| C1 | C6 | H5 | 109.1° | 109.5° |
| C6 | O23 | C32 | 111.0° | 114.0° |
| O23 | C6 | H4 | 109.1° | 109.5° |
| O23 | C6 | H5 | 109.1° | 109.5° |
| C4 | N22 | C3 | 119.2° | 121.7° |
| C1 | C2 | C3 | 118.9° | 119.4° |
| C1 | C2 | H1 | 120.6° | 120.3° |
| C13 | C18 | C17 | 122.9° | 120.0° |
| C13 | C18 | H20 | 118.5° | 120.0° |
| O23 | C32 | C33 | 109.5° | 109.4° |
| O23 | C32 | H13 | 109.5° | 109.5° |
| O23 | C32 | H14 | 109.4° | 109.5° |
| C32 | C33 | C34 | 110.2° | 109.5° |
| C32 | C33 | O36 | 110.2° | 109.5° |
| C33 | C32 | H13 | 109.4° | 109.4° |
| C33 | C32 | H14 | 109.5° | 109.5° |
| C32 | C33 | H15 | 108.3° | 109.5° |
| N22 | C3 | C2 | 122.2° | 120.9° |
| N22 | C3 | H2 | 118.9° | 119.5° |
| C15 | C16 | C17 | 119.3° | 119.9° |
| C15 | C16 | O21 | 117.7° | 120.1° |
| C16 | C15 | H12 | 119.3° | 120.0° |
| C3 | C2 | H1 | 120.5° | 120.3° |
| C2 | C3 | H2 | 118.9° | 119.6° |
| C33 | C34 | O35 | 107.5° | 109.5° |
| C34 | C33 | O36 | 109.8° | 109.4° |
| C34 | C33 | H15 | 108.2° | 109.4° |
| C33 | C34 | H17 | 110.0° | 109.4° |
| C33 | C34 | H18 | 110.0° | 109.5° |
| O35 | C34 | H17 | 110.0° | 109.5° |
| O35 | C34 | H18 | 110.0° | 109.5° |
| C34 | O35 | H19 | 109.5° | 114.0° |
| O36 | C33 | H15 | 110.1° | 109.4° |
| C33 | O36 | H16 | 109.5° | 114.0° |
| C18 | C17 | C16 | 118.1° | 119.9° |
| C18 | C17 | O19 | 123.4° | 120.0° |
| C17 | C18 | H20 | 118.6° | 120.0° |
| C17 | C16 | O21 | 123.0° | 120.1° |
| C16 | C17 | O19 | 118.5° | 120.1° |
| C16 | O21 | C24 | 121.8° | 117.0° |
| O21 | C24 | C25 | 109.1° | 109.5° |
| O21 | C24 | H24 | 109.6° | 109.4° |
| O21 | C24 | H25 | 109.6° | 109.5° |
| C24 | C25 | C30 | 119.1° | 120.0° |
| C24 | C25 | C26 | 120.5° | 120.0° |
| C25 | C24 | H24 | 109.6° | 109.4° |
| C25 | C24 | H25 | 109.6° | 109.5° |
| C17 | O19 | C20 | 120.7° | 117.0° |
| C30 | C25 | C26 | 120.4° | 120.0° |
| C25 | C30 | C29 | 119.7° | 120.0° |
| C25 | C30 | H26 | 120.2° | 120.0° |
| C25 | C26 | C27 | 120.0° | 120.0° |
| C25 | C26 | H29 | 120.0° | 120.0° |
| C30 | C29 | C28 | 119.3° | 120.0° |
| C29 | C30 | H26 | 120.2° | 120.0° |
| C30 | C29 | H27 | 120.4° | 120.0° |
| C26 | C27 | C28 | 120.0° | 120.0° |
| C26 | C27 | H28 | 120.0° | 120.0° |
| C27 | C26 | H29 | 120.0° | 120.0° |
| O19 | C20 | H21 | 109.5° | 109.4° |
| O19 | C20 | H22 | 109.5° | 109.4° |
| O19 | C20 | H23 | 109.5° | 109.5° |
| C29 | C28 | C27 | 120.6° | 120.0° |
| C29 | C28 | C31 | 119.8° | 120.0° |
| C28 | C29 | H27 | 120.3° | 120.0° |
| C27 | C28 | C31 | 119.5° | 120.0° |
| C28 | C27 | H28 | 120.0° | 120.0° |
| C28 | C31 | C37 | 118.7° | 117.5° |
| C28 | C31 | C38 | 120.0° | 117.5° |
| C28 | C31 | H30 | 115.7° | 115.5° |
| C37 | C31 | C38 | 60.3° | 60.0° |
| C31 | C37 | C38 | 59.9° | 60.0° |
| C37 | C31 | H30 | 115.4° | 117.5° |
| C31 | C37 | H33 | 120.0° | 117.5° |
| C31 | C37 | H34 | 120.0° | 117.5° |
| C31 | C38 | C37 | 59.8° | 60.0° |
| C38 | C31 | H30 | 115.4° | 117.5° |
| C31 | C38 | H31 | 120.0° | 117.5° |
| C31 | C38 | H32 | 120.0° | 117.5° |
| C37 | C38 | H31 | 120.0° | 117.5° |
| C37 | C38 | H32 | 120.0° | 117.5° |
| C38 | C37 | H33 | 120.0° | 117.5° |
| C38 | C37 | H34 | 120.0° | 117.5° |
| H4 | C6 | H5 | 109.4° | 109.4° |
| H6 | C10 | H7 | 109.4° | 112.9° |
| H9 | C12 | H10 | 109.5° | 113.0° |
| H13 | C32 | H14 | 109.4° | 109.5° |
| H17 | C34 | H18 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.5° |
| H21 | C20 | H23 | 109.5° | 109.5° |
| H22 | C20 | H23 | 109.5° | 109.5° |
| H24 | C24 | H25 | 109.5° | 109.4° |
| H31 | C38 | H32 | 109.5° | 115.5° |
| H33 | C37 | H34 | 109.4° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C7 | N8 | C12 | 3.6° | 0.1° |
| O9 | C7 | N8 | C4 | 175.7° | 180.0° |
| O9 | C7 | N8 | C10 | 177.5° | 180.0° |
| O9 | C7 | C4 | C5 | 12.6° | 0.0° |
| O9 | C7 | C4 | N22 | 166.9° | 180.0° |
| C12 | C11 | C10 | C13 | 107.2° | 114.4° |
| C12 | C11 | C10 | H8 | 112.0° | 114.4° |
| C12 | C11 | C13 | H8 | 122.0° | 131.7° |
| C11 | C12 | N8 | H9 | 116.4° | 114.3° |
| C11 | C12 | N8 | H10 | 116.4° | 114.4° |
| C11 | C12 | N8 | C7 | 168.7° | 155.4° |
| C12 | C11 | C10 | N8 | 11.2° | 23.7° |
| C12 | C11 | C13 | C14 | 95.2° | 59.7° |
| C12 | C11 | C13 | C18 | 79.2° | 120.0° |
| C12 | C11 | C10 | H6 | 105.0° | 90.7° |
| C12 | C11 | C10 | H7 | 127.4° | 138.0° |
| C11 | C12 | H9 | H10 | 129.6° | 131.8° |
| C10 | C11 | C13 | H8 | 140.6° | 131.6° |
| C11 | C10 | N8 | C7 | 168.9° | 155.4° |
| C11 | C10 | N8 | H6 | 116.2° | 114.4° |
| C11 | C10 | N8 | H7 | 116.2° | 114.4° |
| C10 | C11 | C13 | C14 | 167.5° | 37.0° |
| C10 | C11 | C13 | C18 | 18.1° | 143.3° |
| C11 | C10 | H6 | H7 | 130.2° | 131.7° |
| C10 | C11 | C12 | H9 | 127.8° | 137.9° |
| C10 | C11 | C12 | H10 | 105.1° | 90.7° |
| C13 | C11 | C12 | N8 | 137.0° | 138.0° |
| C13 | C11 | C10 | N8 | 118.3° | 138.1° |
| C11 | C13 | C14 | C18 | 174.4° | 179.7° |
| C11 | C13 | C14 | C15 | 176.5° | 180.0° |
| C11 | C13 | C18 | C17 | 176.4° | 180.0° |
| C13 | C11 | C10 | H6 | 2.1° | 23.7° |
| C13 | C11 | C10 | H7 | 125.5° | 107.6° |
| C13 | C11 | C12 | H9 | 106.6° | 107.7° |
| C13 | C11 | C12 | H10 | 20.5° | 23.6° |
| C11 | C13 | C14 | H11 | 3.5° | 0.1° |
| C11 | C13 | C18 | H20 | 3.6° | 0.0° |
| C12 | N8 | C7 | C10 | 179.0° | 179.9° |
| C12 | N8 | C7 | C4 | 172.1° | 180.0° |
| C12 | N8 | C10 | H6 | 104.2° | 89.7° |
| C12 | N8 | C10 | H7 | 128.1° | 139.0° |
| N8 | C12 | C11 | H8 | 100.6° | 90.7° |
| N8 | C12 | H9 | H10 | 129.6° | 131.7° |
| N8 | C7 | C4 | C5 | 171.7° | 179.9° |
| N8 | C7 | C4 | N22 | 8.8° | 0.0° |
| C7 | N8 | C10 | H6 | 75.0° | 90.2° |
| C7 | N8 | C10 | H7 | 52.7° | 41.0° |
| C7 | N8 | C12 | H9 | 52.3° | 41.0° |
| C7 | N8 | C12 | H10 | 74.8° | 90.3° |
| C4 | C7 | N8 | C10 | 6.8° | 0.0° |
| C7 | C4 | C5 | N22 | 179.5° | 180.0° |
| C7 | C4 | C5 | C1 | 179.9° | 180.0° |
| C7 | C4 | N22 | C3 | 179.6° | 180.0° |
| C7 | C4 | C5 | H3 | 0.1° | 0.0° |
| N8 | C10 | H6 | H7 | 130.2° | 131.7° |
| N8 | C10 | C11 | H8 | 100.8° | 90.7° |
| C10 | N8 | C12 | H9 | 128.4° | 139.0° |
| C10 | N8 | C12 | H10 | 104.4° | 89.7° |
| C4 | C5 | C1 | H3 | 180.0° | 180.0° |
| C4 | C5 | C1 | C6 | 179.5° | 179.8° |
| C4 | C5 | C1 | C2 | 0.6° | 0.0° |
| C5 | C4 | N22 | C3 | 0.1° | 0.0° |
| C5 | C1 | C6 | C2 | 180.0° | 179.7° |
| C5 | C1 | C6 | O23 | 151.2° | 90.3° |
| C1 | C5 | C4 | N22 | 0.6° | 0.0° |
| C5 | C1 | C2 | C3 | 0.1° | 0.0° |
| C5 | C1 | C2 | H1 | 179.9° | 179.9° |
| C5 | C1 | C6 | H4 | 88.6° | 29.8° |
| C5 | C1 | C6 | H5 | 31.0° | 149.7° |
| C13 | C14 | C15 | H11 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.5° | 0.1° |
| C14 | C13 | C18 | C17 | 1.8° | 0.3° |
| C14 | C13 | C11 | H8 | 26.9° | 168.6° |
| C13 | C14 | C15 | H12 | 178.5° | 180.0° |
| C14 | C13 | C18 | H20 | 178.2° | 179.7° |
| C15 | C14 | C13 | C18 | 2.1° | 0.3° |
| C14 | C15 | C16 | H12 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.5° | 0.2° |
| C14 | C15 | C16 | O21 | 179.1° | 180.0° |
| C1 | C6 | O23 | H4 | 120.2° | 120.0° |
| C1 | C6 | O23 | H5 | 120.2° | 120.0° |
| C1 | C6 | O23 | C32 | 173.6° | 180.0° |
| C6 | C1 | C2 | C3 | 180.0° | 179.7° |
| C6 | C1 | C2 | H1 | 0.0° | 0.3° |
| C6 | C1 | C5 | H3 | 0.5° | 0.2° |
| C1 | C6 | H4 | H5 | 119.3° | 120.0° |
| O23 | C6 | C1 | C2 | 28.8° | 90.0° |
| C6 | O23 | C32 | C33 | 170.5° | 180.0° |
| O23 | C6 | H4 | H5 | 119.3° | 120.0° |
| C6 | O23 | C32 | H13 | 69.5° | 60.1° |
| C6 | O23 | C32 | H14 | 50.5° | 60.0° |
| C4 | N22 | C3 | C2 | 0.4° | 0.0° |
| C4 | N22 | C3 | H2 | 179.6° | 180.0° |
| N22 | C4 | C5 | H3 | 179.4° | 180.0° |
| C1 | C2 | C3 | N22 | 0.4° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 179.6° | 180.0° |
| C2 | C1 | C5 | H3 | 179.5° | 180.0° |
| C2 | C1 | C6 | H4 | 91.5° | 150.0° |
| C2 | C1 | C6 | H5 | 149.0° | 30.0° |
| C13 | C18 | C17 | H20 | 180.0° | 180.0° |
| C13 | C18 | C17 | C16 | 0.8° | 0.0° |
| C13 | C18 | C17 | O19 | 179.2° | 180.0° |
| C18 | C13 | C11 | H8 | 158.7° | 11.7° |
| C18 | C13 | C14 | H11 | 177.9° | 179.8° |
| O23 | C32 | C33 | H13 | 120.0° | 119.9° |
| O23 | C32 | C33 | H14 | 120.0° | 120.0° |
| O23 | C32 | C33 | C34 | 177.7° | 175.0° |
| O23 | C32 | C33 | O36 | 61.0° | 65.0° |
| C32 | O23 | C6 | H4 | 53.3° | 60.0° |
| C32 | O23 | C6 | H5 | 66.2° | 60.0° |
| O23 | C32 | H13 | H14 | 120.0° | 120.1° |
| O23 | C32 | C33 | H15 | 59.6° | 55.0° |
| C32 | C33 | C34 | O36 | 121.5° | 120.1° |
| C32 | C33 | C34 | H15 | 118.2° | 120.0° |
| C32 | C33 | C34 | O35 | 157.7° | 175.0° |
| C32 | C33 | O36 | H15 | 119.4° | 120.0° |
| C33 | C32 | H13 | H14 | 120.0° | 120.0° |
| C32 | C33 | O36 | H16 | 180.0° | 59.9° |
| C32 | C33 | C34 | H17 | 82.6° | 65.0° |
| C32 | C33 | C34 | H18 | 38.0° | 55.0° |
| N22 | C3 | C2 | H2 | 180.0° | 180.0° |
| N22 | C3 | C2 | H1 | 179.6° | 179.9° |
| C15 | C16 | C17 | C18 | 0.2° | 0.2° |
| C15 | C16 | C17 | O21 | 179.7° | 179.8° |
| C15 | C16 | O21 | C24 | 19.2° | 0.1° |
| C15 | C16 | C17 | O19 | 179.9° | 179.7° |
| C16 | C15 | C14 | H11 | 178.5° | 180.0° |
| C33 | C34 | O35 | H17 | 119.7° | 120.0° |
| C33 | C34 | O35 | H18 | 119.7° | 120.0° |
| C34 | C33 | O36 | H15 | 119.0° | 119.9° |
| C34 | C33 | C32 | H13 | 62.2° | 65.0° |
| C34 | C33 | C32 | H14 | 57.7° | 55.0° |
| C34 | C33 | O36 | H16 | 58.5° | 60.1° |
| C33 | C34 | H17 | H18 | 120.9° | 120.0° |
| C33 | C34 | O35 | H19 | 180.0° | 180.0° |
| O35 | C34 | C33 | O36 | 80.7° | 65.0° |
| O35 | C34 | C33 | H15 | 39.5° | 55.0° |
| O35 | C34 | H17 | H18 | 120.9° | 120.0° |
| O36 | C33 | C32 | H13 | 59.1° | 55.0° |
| O36 | C33 | C32 | H14 | 179.0° | 175.0° |
| O36 | C33 | C34 | H17 | 39.0° | 55.1° |
| O36 | C33 | C34 | H18 | 159.6° | 175.0° |
| C18 | C17 | C16 | O19 | 180.0° | 179.9° |
| C18 | C17 | C16 | O21 | 179.5° | 180.0° |
| C18 | C17 | O19 | C20 | 8.9° | 0.1° |
| C17 | C16 | O21 | C24 | 160.5° | 179.8° |
| C16 | C17 | O19 | C20 | 171.0° | 180.0° |
| C17 | C16 | C15 | H12 | 179.5° | 179.7° |
| C16 | C17 | C18 | H20 | 179.2° | 179.9° |
| C16 | O21 | C24 | C25 | 169.1° | 180.0° |
| O21 | C16 | C17 | O19 | 0.5° | 0.1° |
| O21 | C16 | C15 | H12 | 0.8° | 0.1° |
| C16 | O21 | C24 | H24 | 49.1° | 60.0° |
| C16 | O21 | C24 | H25 | 71.0° | 59.9° |
| O21 | C24 | C25 | H24 | 119.9° | 120.0° |
| O21 | C24 | C25 | H25 | 119.9° | 120.1° |
| O21 | C24 | C25 | C30 | 99.8° | 89.9° |
| O21 | C24 | C25 | C26 | 78.5° | 90.3° |
| O21 | C24 | H24 | H25 | 120.1° | 120.0° |
| C24 | C25 | C30 | C26 | 178.2° | 179.8° |
| C24 | C25 | C30 | C29 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 179.8° | 179.7° |
| C25 | C24 | H24 | H25 | 120.2° | 120.0° |
| C24 | C25 | C30 | H26 | 0.0° | 0.0° |
| C24 | C25 | C26 | H29 | 0.2° | 0.0° |
| O19 | C17 | C18 | H20 | 0.8° | 0.0° |
| C17 | O19 | C20 | H21 | 180.0° | 60.0° |
| C17 | O19 | C20 | H22 | 60.0° | 179.9° |
| C17 | O19 | C20 | H23 | 60.0° | 60.0° |
| C25 | C30 | C29 | H26 | 180.0° | 180.0° |
| C30 | C25 | C26 | C27 | 1.6° | 0.5° |
| C25 | C30 | C29 | C28 | 0.2° | 0.0° |
| C30 | C25 | C24 | H24 | 20.2° | 30.0° |
| C30 | C25 | C24 | H25 | 140.3° | 150.0° |
| C25 | C30 | C29 | H27 | 179.8° | 180.0° |
| C30 | C25 | C26 | H29 | 178.4° | 179.8° |
| C26 | C25 | C30 | C29 | 1.8° | 0.3° |
| C25 | C26 | C27 | H29 | 180.0° | 179.7° |
| C25 | C26 | C27 | C28 | 0.2° | 0.6° |
| C26 | C25 | C24 | H24 | 161.6° | 149.7° |
| C26 | C25 | C24 | H25 | 41.5° | 29.8° |
| C26 | C25 | C30 | H26 | 178.2° | 179.8° |
| C25 | C26 | C27 | H28 | 179.8° | 179.8° |
| C30 | C29 | C28 | H27 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 1.6° | 0.1° |
| C30 | C29 | C28 | C31 | 178.6° | 180.0° |
| C26 | C27 | C28 | C29 | 1.8° | 0.3° |
| C26 | C27 | C28 | H28 | 180.0° | 179.7° |
| C26 | C27 | C28 | C31 | 178.8° | 179.7° |
| O19 | C20 | H21 | H22 | 120.0° | 119.9° |
| O19 | C20 | H21 | H23 | 120.0° | 120.0° |
| O19 | C20 | H22 | H23 | 120.0° | 120.0° |
| C29 | C28 | C27 | C31 | 177.0° | 179.9° |
| C29 | C28 | C31 | C37 | 154.5° | 120.0° |
| C29 | C28 | C31 | C38 | 135.2° | 171.3° |
| C28 | C29 | C30 | H26 | 179.8° | 180.0° |
| C29 | C28 | C27 | H28 | 178.2° | 180.0° |
| C29 | C28 | C31 | H30 | 10.7° | 25.7° |
| C27 | C28 | C31 | C37 | 28.5° | 60.0° |
| C27 | C28 | C31 | C38 | 41.8° | 8.6° |
| C27 | C28 | C29 | H27 | 178.4° | 180.0° |
| C28 | C27 | C26 | H29 | 179.8° | 179.7° |
| C27 | C28 | C31 | H30 | 172.3° | 154.3° |
| C28 | C31 | C37 | C38 | 110.1° | 107.5° |
| C28 | C31 | C37 | H30 | 143.8° | 145.0° |
| C28 | C31 | C38 | H30 | 145.9° | 145.0° |
| C31 | C28 | C29 | H27 | 1.4° | 0.0° |
| C31 | C28 | C27 | H28 | 1.2° | 0.1° |
| C28 | C31 | C38 | H31 | 1.4° | 0.1° |
| C28 | C31 | C38 | H32 | 142.6° | 145.0° |
| C28 | C31 | C37 | H33 | 140.4° | 145.0° |
| C28 | C31 | C37 | H34 | 0.7° | 0.0° |
| C37 | C31 | C38 | H30 | 106.0° | 107.5° |
| C31 | C37 | C38 | H33 | 109.4° | 107.5° |
| C31 | C37 | C38 | H34 | 109.5° | 107.5° |
| C37 | C31 | C38 | H31 | 109.4° | 107.5° |
| C37 | C31 | C38 | H32 | 109.4° | 107.5° |
| C31 | C37 | H33 | H34 | 144.8° | 145.7° |
| C31 | C38 | H31 | H32 | 144.8° | 145.8° |
| C37 | C38 | H31 | H32 | 144.8° | 145.6° |
| C38 | C37 | H33 | H34 | 144.8° | 145.7° |
| H1 | C2 | C3 | H2 | 0.4° | 0.0° |
| H6 | C10 | C11 | H8 | 143.0° | 154.9° |
| H7 | C10 | C11 | H8 | 15.4° | 23.7° |
| H8 | C11 | C12 | H9 | 15.8° | 23.6° |
| H8 | C11 | C12 | H10 | 143.0° | 155.0° |
| H11 | C14 | C15 | H12 | 1.5° | 0.1° |
| H13 | C32 | C33 | H15 | 179.6° | 175.0° |
| H14 | C32 | C33 | H15 | 60.5° | 65.0° |
| H15 | C33 | O36 | H16 | 60.6° | 180.0° |
| H15 | C33 | C34 | H17 | 159.2° | 175.0° |
| H15 | C33 | C34 | H18 | 80.2° | 65.1° |
| H17 | C34 | O35 | H19 | 60.3° | 60.0° |
| H18 | C34 | O35 | H19 | 60.3° | 60.0° |
| H21 | C20 | H22 | H23 | 120.0° | 120.1° |
| H26 | C30 | C29 | H27 | 0.2° | 0.0° |
| H28 | C27 | C26 | H29 | 0.2° | 0.1° |
| H30 | C31 | C38 | H31 | 144.5° | 145.0° |
| H30 | C31 | C38 | H32 | 3.4° | 0.0° |
| H30 | C31 | C37 | H33 | 3.5° | 0.0° |
| H30 | C31 | C37 | H34 | 144.6° | 145.0° |
| H31 | C38 | C37 | H33 | 141.2° | 145.0° |
| H31 | C38 | C37 | H34 | 0.1° | 0.0° |
| H32 | C38 | C37 | H33 | 0.0° | 0.0° |
| H32 | C38 | C37 | H34 | 141.1° | 145.0° |
