M9Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C7 | C5 | sing | 1.53Å | 1.52Å | |
| O | C2 | sing | 1.35Å | 1.34Å | |
| O | C1 | sing | 1.45Å | 1.46Å | |
| C3 | C4 | doub | 1.33Å | 1.32Å | |
| C3 | C2 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C2 | O1 | doub | 1.22Å | 1.21Å | |
| C1 | C | sing | 1.53Å | 1.48Å | |
| C5 | C8 | sing | 1.53Å | 1.56Å | |
| C8 | O2 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | doub | 1.31Å | 1.32Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.54Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | doub | 1.33Å | 1.32Å | |
| C30 | C29 | sing | 1.51Å | 1.53Å | |
| C30 | C13 | sing | 1.52Å | 1.54Å | |
| C30 | C16 | sing | 1.55Å | 1.55Å | |
| O4 | C24 | sing | 1.43Å | 1.42Å | |
| C21 | C20 | sing | 1.52Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C25 | C20 | sing | 1.48Å | 1.47Å | |
| C25 | C24 | sing | 1.52Å | 1.51Å | |
| C13 | C14 | sing | 1.55Å | 1.54Å | |
| C20 | C19 | doub | 1.35Å | 1.37Å | |
| C14 | C15 | sing | 1.55Å | 1.55Å | |
| C19 | C18 | sing | 1.46Å | 1.43Å | |
| C18 | C17 | doub | 1.33Å | 1.34Å | |
| C27 | C17 | sing | 1.52Å | 1.50Å | |
| C22 | O3 | sing | 1.43Å | 1.43Å | |
| C17 | C16 | sing | 1.50Å | 1.51Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| O4 | H3 | sing | 0.97Å | 0.95Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | 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 | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.08Å | 1.08Å | |
| O2 | H26 | sing | 0.97Å | 0.95Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.08Å | 1.08Å | |
| C19 | H38 | sing | 1.08Å | 1.08Å | |
| C26 | H39 | sing | 1.08Å | 1.08Å | |
| C26 | H40 | sing | 1.08Å | 1.08Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| C22 | H44 | sing | 1.09Å | 1.10Å | |
| C21 | H45 | sing | 1.09Å | 1.10Å | |
| C21 | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 60.6° | 60.0° |
| C6 | C7 | C5 | 60.3° | 60.0° |
| C7 | C6 | H4 | 119.9° | 117.5° |
| C7 | C6 | H5 | 119.9° | 117.5° |
| C6 | C7 | H6 | 119.9° | 117.5° |
| C6 | C7 | H7 | 120.0° | 117.5° |
| C6 | C5 | C7 | 59.1° | 60.0° |
| C6 | C5 | C4 | 114.0° | 117.5° |
| C6 | C5 | C8 | 120.9° | 117.5° |
| C5 | C6 | H4 | 119.9° | 117.5° |
| C5 | C6 | H5 | 119.9° | 117.5° |
| C7 | C5 | C4 | 114.0° | 117.5° |
| C7 | C5 | C8 | 127.4° | 117.5° |
| C5 | C7 | H6 | 120.0° | 117.5° |
| C5 | C7 | H7 | 120.0° | 117.5° |
| C2 | O | C1 | 115.9° | 117.0° |
| O | C2 | C3 | 112.3° | 120.1° |
| O | C2 | O1 | 122.6° | 120.0° |
| O | C1 | C | 109.4° | 109.4° |
| O | C1 | H20 | 109.5° | 109.5° |
| O | C1 | H21 | 109.5° | 109.5° |
| C4 | C3 | C2 | 125.6° | 120.1° |
| C3 | C4 | C5 | 132.9° | 120.0° |
| C3 | C4 | H2 | 113.6° | 120.0° |
| C4 | C3 | H25 | 117.2° | 120.0° |
| C3 | C2 | O1 | 125.1° | 119.9° |
| C2 | C3 | H25 | 117.2° | 120.0° |
| C4 | C5 | C8 | 111.7° | 115.5° |
| C5 | C4 | H2 | 113.5° | 120.0° |
| C | C1 | H20 | 109.5° | 109.5° |
| C | C1 | H21 | 109.5° | 109.5° |
| C1 | C | H22 | 109.5° | 109.5° |
| C1 | C | H23 | 109.5° | 109.4° |
| C1 | C | H24 | 109.4° | 109.5° |
| C5 | C8 | O2 | 110.2° | 109.5° |
| C5 | C8 | C9 | 106.3° | 109.5° |
| C5 | C8 | H8 | 110.6° | 109.5° |
| O2 | C8 | C9 | 105.4° | 109.5° |
| O2 | C8 | H8 | 112.6° | 109.4° |
| C8 | O2 | H26 | 109.5° | 114.1° |
| C8 | C9 | C10 | 139.3° | 120.0° |
| C9 | C8 | H8 | 111.4° | 109.5° |
| C8 | C9 | H9 | 110.3° | 120.0° |
| C9 | C10 | C11 | 125.2° | 120.0° |
| C10 | C9 | H9 | 110.3° | 119.9° |
| C9 | C10 | H10 | 117.4° | 120.0° |
| C31 | C30 | C29 | 110.4° | 109.3° |
| C31 | C30 | C13 | 110.7° | 109.3° |
| C31 | C30 | C16 | 110.0° | 108.6° |
| C30 | C31 | H27 | 109.5° | 109.5° |
| C30 | C31 | H28 | 109.5° | 109.5° |
| C30 | C31 | H29 | 109.5° | 109.5° |
| C10 | C11 | C12 | 111.9° | 109.5° |
| C10 | C11 | C13 | 112.2° | 109.5° |
| C11 | C10 | H10 | 117.4° | 120.0° |
| C10 | C11 | H11 | 106.6° | 109.5° |
| C12 | C11 | C13 | 113.0° | 109.4° |
| C12 | C11 | H11 | 106.3° | 109.4° |
| C11 | C12 | H12 | 109.5° | 109.5° |
| C11 | C12 | H13 | 109.5° | 109.4° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C11 | C13 | C30 | 118.8° | 110.3° |
| C11 | C13 | C14 | 113.4° | 110.3° |
| C13 | C11 | H11 | 106.2° | 109.5° |
| C11 | C13 | H15 | 107.0° | 110.3° |
| C29 | C28 | C27 | 110.7° | 111.8° |
| C28 | C29 | C30 | 112.5° | 107.5° |
| C28 | C29 | H31 | 108.7° | 109.9° |
| C28 | C29 | H32 | 108.7° | 109.9° |
| C29 | C28 | H33 | 109.2° | 109.0° |
| C29 | C28 | H34 | 109.2° | 108.9° |
| C28 | C27 | C17 | 113.1° | 110.8° |
| C27 | C28 | H33 | 109.1° | 109.1° |
| C27 | C28 | H34 | 109.1° | 109.1° |
| C28 | C27 | H35 | 108.6° | 109.2° |
| C28 | C27 | H36 | 108.6° | 109.2° |
| C26 | C25 | C20 | 123.9° | 121.6° |
| C26 | C25 | C24 | 118.2° | 121.6° |
| C25 | C26 | H39 | 120.0° | 120.1° |
| C25 | C26 | H40 | 120.0° | 120.0° |
| C29 | C30 | C13 | 118.6° | 118.3° |
| C29 | C30 | C16 | 107.5° | 107.6° |
| C30 | C29 | H31 | 108.7° | 109.8° |
| C30 | C29 | H32 | 108.7° | 109.8° |
| C13 | C30 | C16 | 98.9° | 103.2° |
| C30 | C13 | C14 | 102.9° | 105.0° |
| C30 | C13 | H15 | 107.0° | 110.4° |
| C30 | C16 | C17 | 106.8° | 105.5° |
| C30 | C16 | C15 | 103.9° | 101.3° |
| C30 | C16 | H30 | 107.6° | 110.9° |
| O4 | C24 | C23 | 110.0° | 109.7° |
| O4 | C24 | C25 | 108.8° | 109.7° |
| C24 | O4 | H3 | 109.5° | 114.0° |
| O4 | C24 | H41 | 109.2° | 109.7° |
| C20 | C21 | C22 | 112.5° | 108.6° |
| C21 | C20 | C25 | 118.5° | 116.8° |
| C21 | C20 | C19 | 115.4° | 121.6° |
| C20 | C21 | H45 | 108.7° | 109.7° |
| C20 | C21 | H46 | 108.7° | 109.6° |
| C21 | C22 | C23 | 110.3° | 109.9° |
| C21 | C22 | O3 | 110.5° | 109.5° |
| C21 | C22 | H44 | 108.4° | 109.2° |
| C22 | C21 | H45 | 108.7° | 109.6° |
| C22 | C21 | H46 | 108.7° | 109.5° |
| C24 | C23 | C22 | 110.2° | 109.8° |
| C23 | C24 | C25 | 112.9° | 108.4° |
| C23 | C24 | H41 | 107.9° | 109.7° |
| C24 | C23 | H42 | 109.3° | 109.5° |
| C24 | C23 | H43 | 109.3° | 109.4° |
| C23 | C22 | O3 | 109.7° | 109.4° |
| C22 | C23 | H42 | 109.3° | 109.4° |
| C22 | C23 | H43 | 109.3° | 109.4° |
| C23 | C22 | H44 | 108.4° | 109.4° |
| C20 | C25 | C24 | 117.9° | 116.7° |
| C25 | C20 | C19 | 126.1° | 121.6° |
| C25 | C24 | H41 | 108.0° | 109.7° |
| C13 | C14 | C15 | 104.0° | 106.3° |
| C14 | C13 | H15 | 107.0° | 110.3° |
| C13 | C14 | H16 | 110.8° | 110.0° |
| C13 | C14 | H17 | 110.8° | 110.0° |
| C20 | C19 | C18 | 130.7° | 120.0° |
| C20 | C19 | H38 | 114.6° | 120.0° |
| C14 | C15 | C16 | 105.7° | 102.8° |
| C15 | C14 | H16 | 110.8° | 110.1° |
| C15 | C14 | H17 | 110.8° | 110.1° |
| C14 | C15 | H18 | 110.4° | 110.8° |
| C14 | C15 | H19 | 110.4° | 110.7° |
| C19 | C18 | C17 | 127.6° | 120.0° |
| C19 | C18 | H37 | 116.2° | 120.0° |
| C18 | C19 | H38 | 114.6° | 120.0° |
| C18 | C17 | C27 | 129.1° | 122.4° |
| C18 | C17 | C16 | 117.5° | 122.4° |
| C17 | C18 | H37 | 116.2° | 120.0° |
| C27 | C17 | C16 | 113.5° | 115.2° |
| C17 | C27 | H35 | 108.5° | 109.2° |
| C17 | C27 | H36 | 108.6° | 109.3° |
| C22 | O3 | H1 | 109.5° | 114.0° |
| O3 | C22 | H44 | 109.5° | 109.4° |
| C17 | C16 | C15 | 121.9° | 116.7° |
| C17 | C16 | H30 | 108.1° | 111.1° |
| C16 | C15 | H18 | 110.4° | 110.8° |
| C16 | C15 | H19 | 110.4° | 110.9° |
| C15 | C16 | H30 | 107.7° | 110.8° |
| H4 | C6 | H5 | 109.5° | 115.6° |
| H6 | C7 | H7 | 109.5° | 115.6° |
| H12 | C12 | H13 | 109.4° | 109.5° |
| H12 | C12 | H14 | 109.5° | 109.4° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 110.1° |
| H18 | C15 | H19 | 109.5° | 110.7° |
| H20 | C1 | H21 | 109.5° | 109.5° |
| H22 | C | H23 | 109.5° | 109.5° |
| H22 | C | H24 | 109.5° | 109.5° |
| H23 | C | H24 | 109.5° | 109.5° |
| H27 | C31 | H28 | 109.4° | 109.4° |
| H27 | C31 | H29 | 109.4° | 109.5° |
| H28 | C31 | H29 | 109.5° | 109.5° |
| H31 | C29 | H32 | 109.5° | 109.9° |
| H33 | C28 | H34 | 109.5° | 108.9° |
| H35 | C27 | H36 | 109.5° | 109.2° |
| H39 | C26 | H40 | 120.0° | 119.9° |
| H42 | C23 | H43 | 109.5° | 109.3° |
| H45 | C21 | H46 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H4 | 109.6° | 107.5° |
| C7 | C6 | C5 | H5 | 109.7° | 107.5° |
| C6 | C7 | C5 | H6 | 109.5° | 107.5° |
| C6 | C7 | C5 | H7 | 109.5° | 107.5° |
| C6 | C7 | C5 | C4 | 104.6° | 107.5° |
| C7 | C6 | C5 | C8 | 117.8° | 107.5° |
| C7 | C6 | H4 | H5 | 144.4° | 145.7° |
| C6 | C7 | H6 | H7 | 144.6° | 145.8° |
| C6 | C5 | C4 | C3 | 62.1° | 110.3° |
| C6 | C5 | C4 | C8 | 141.5° | 145.7° |
| C6 | C5 | C8 | O2 | 65.9° | 87.0° |
| C6 | C5 | C8 | C9 | 179.7° | 153.0° |
| C6 | C5 | C4 | H2 | 117.9° | 69.7° |
| C5 | C6 | H4 | H5 | 144.4° | 145.7° |
| C6 | C5 | C8 | H8 | 59.1° | 33.0° |
| C7 | C5 | C4 | C3 | 127.5° | 41.6° |
| C7 | C5 | C4 | C8 | 153.2° | 145.6° |
| C7 | C5 | C8 | O2 | 138.7° | 155.6° |
| C7 | C5 | C8 | C9 | 107.5° | 84.4° |
| C7 | C5 | C4 | H2 | 52.5° | 138.3° |
| C5 | C7 | H6 | H7 | 144.6° | 145.6° |
| C7 | C5 | C8 | H8 | 13.6° | 35.7° |
| O | C2 | C3 | C4 | 179.3° | 173.4° |
| O | C2 | C3 | O1 | 178.0° | 179.9° |
| C2 | O | C1 | C | 160.9° | 175.4° |
| C2 | O | C1 | H20 | 79.2° | 55.4° |
| C2 | O | C1 | H21 | 40.9° | 64.6° |
| O | C2 | C3 | H25 | 0.7° | 6.6° |
| C1 | O | C2 | C3 | 175.3° | 174.9° |
| C1 | O | C2 | O1 | 2.8° | 5.2° |
| O | C1 | C | H20 | 120.0° | 120.0° |
| O | C1 | C | H21 | 120.0° | 120.0° |
| O | C1 | H20 | H21 | 120.0° | 120.0° |
| O | C1 | C | H22 | 180.0° | 65.0° |
| O | C1 | C | H23 | 60.0° | 55.0° |
| O | C1 | C | H24 | 60.0° | 175.0° |
| C4 | C3 | C2 | H25 | 180.0° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | O1 | 2.7° | 6.6° |
| C3 | C4 | C5 | C8 | 79.3° | 104.0° |
| C2 | C3 | C4 | C5 | 3.0° | 14.8° |
| C2 | C3 | C4 | H2 | 177.0° | 165.3° |
| C4 | C5 | C8 | O2 | 72.5° | 58.7° |
| C4 | C5 | C8 | C9 | 41.2° | 61.3° |
| C4 | C5 | C6 | H4 | 5.0° | 145.0° |
| C4 | C5 | C6 | H5 | 145.7° | 0.0° |
| C4 | C5 | C7 | H6 | 145.8° | 0.0° |
| C4 | C5 | C7 | H7 | 4.9° | 145.0° |
| C4 | C5 | C8 | H8 | 162.4° | 178.7° |
| C5 | C4 | C3 | H25 | 177.0° | 165.2° |
| O1 | C2 | C3 | H25 | 177.3° | 173.3° |
| C | C1 | H20 | H21 | 120.1° | 120.0° |
| C1 | C | H22 | H23 | 120.0° | 120.0° |
| C1 | C | H22 | H24 | 120.0° | 120.0° |
| C1 | C | H23 | H24 | 120.0° | 120.0° |
| C5 | C8 | O2 | C9 | 114.3° | 120.0° |
| C5 | C8 | O2 | H8 | 124.0° | 120.0° |
| C5 | C8 | C9 | H8 | 120.6° | 120.1° |
| C5 | C8 | C9 | C10 | 179.7° | 120.2° |
| C8 | C5 | C4 | H2 | 100.7° | 76.0° |
| C8 | C5 | C6 | H4 | 132.6° | 0.0° |
| C8 | C5 | C6 | H5 | 8.2° | 145.0° |
| C8 | C5 | C7 | H6 | 2.4° | 145.0° |
| C8 | C5 | C7 | H7 | 143.3° | 0.0° |
| C5 | C8 | C9 | H9 | 0.2° | 59.8° |
| C5 | C8 | O2 | H26 | 7.7° | 63.2° |
| O2 | C8 | C9 | H8 | 122.4° | 119.9° |
| O2 | C8 | C9 | C10 | 62.8° | 0.2° |
| O2 | C8 | C9 | H9 | 117.2° | 179.8° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 174.9° | 174.5° |
| C8 | C9 | C10 | H10 | 5.1° | 5.4° |
| C9 | C8 | O2 | H26 | 106.6° | 56.8° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 102.8° | 124.1° |
| C9 | C10 | C11 | C13 | 128.9° | 116.0° |
| C10 | C9 | C8 | H8 | 59.6° | 119.7° |
| C9 | C10 | C11 | H11 | 13.0° | 4.1° |
| C31 | C30 | C13 | C11 | 59.7° | 33.6° |
| C31 | C30 | C29 | C28 | 58.2° | 49.7° |
| C31 | C30 | C29 | C13 | 129.2° | 125.9° |
| C31 | C30 | C29 | C16 | 120.0° | 117.8° |
| C31 | C30 | C13 | C16 | 115.4° | 115.4° |
| C31 | C30 | C13 | C14 | 66.5° | 85.2° |
| C31 | C30 | C16 | C17 | 57.5° | 51.7° |
| C31 | C30 | C16 | C15 | 72.6° | 70.3° |
| C31 | C30 | C13 | H15 | 179.1° | 155.9° |
| C30 | C31 | H27 | H28 | 120.0° | 120.0° |
| C30 | C31 | H27 | H29 | 120.0° | 120.0° |
| C30 | C31 | H28 | H29 | 120.0° | 120.0° |
| C31 | C30 | C16 | H30 | 173.3° | 172.1° |
| C31 | C30 | C29 | H31 | 178.6° | 69.8° |
| C31 | C30 | C29 | H32 | 62.3° | 169.3° |
| C10 | C11 | C12 | C13 | 127.8° | 120.0° |
| C10 | C11 | C12 | H11 | 116.1° | 120.1° |
| C10 | C11 | C13 | H11 | 116.1° | 120.1° |
| C10 | C11 | C13 | C30 | 122.7° | 177.1° |
| C10 | C11 | C13 | C14 | 1.7° | 61.5° |
| C11 | C10 | C9 | H9 | 5.1° | 5.5° |
| C10 | C11 | C12 | H12 | 180.0° | 173.9° |
| C10 | C11 | C12 | H13 | 60.0° | 53.8° |
| C10 | C11 | C12 | H14 | 60.0° | 66.1° |
| C10 | C11 | C13 | H15 | 116.1° | 60.7° |
| C12 | C11 | C13 | H11 | 116.2° | 119.9° |
| C12 | C11 | C13 | C30 | 109.6° | 62.9° |
| C12 | C11 | C13 | C14 | 129.3° | 178.5° |
| C12 | C11 | C10 | H10 | 77.2° | 55.9° |
| C11 | C12 | H12 | H13 | 120.0° | 120.0° |
| C11 | C12 | H12 | H14 | 120.0° | 120.0° |
| C11 | C12 | H13 | H14 | 120.0° | 120.0° |
| C12 | C11 | C13 | H15 | 11.5° | 59.3° |
| C11 | C13 | C30 | C29 | 69.3° | 92.2° |
| C11 | C13 | C30 | C14 | 126.2° | 118.9° |
| C11 | C13 | C30 | H15 | 121.2° | 122.2° |
| C11 | C13 | C30 | C16 | 175.2° | 149.1° |
| C11 | C13 | C14 | H15 | 117.8° | 122.2° |
| C11 | C13 | C14 | C15 | 165.6° | 122.9° |
| C13 | C11 | C10 | H10 | 51.1° | 64.1° |
| C13 | C11 | C12 | H12 | 52.2° | 66.1° |
| C13 | C11 | C12 | H13 | 172.2° | 173.8° |
| C13 | C11 | C12 | H14 | 67.8° | 53.8° |
| C11 | C13 | C14 | H16 | 75.3° | 117.9° |
| C11 | C13 | C14 | H17 | 46.5° | 3.6° |
| C29 | C28 | C27 | H33 | 120.2° | 120.6° |
| C29 | C28 | C27 | H34 | 120.2° | 120.5° |
| C28 | C29 | C30 | H31 | 120.4° | 119.5° |
| C28 | C29 | C30 | H32 | 120.4° | 119.5° |
| C28 | C29 | C30 | C13 | 172.7° | 175.6° |
| C28 | C29 | C30 | C16 | 61.8° | 68.1° |
| C29 | C28 | C27 | C17 | 47.3° | 48.6° |
| C28 | C29 | H31 | H32 | 118.6° | 121.1° |
| C29 | C28 | H33 | H34 | 119.4° | 118.7° |
| C29 | C28 | C27 | H35 | 167.8° | 168.9° |
| C29 | C28 | C27 | H36 | 73.3° | 71.8° |
| C27 | C28 | C29 | C30 | 53.2° | 59.1° |
| C28 | C27 | C17 | C18 | 126.2° | 129.8° |
| C28 | C27 | C17 | H35 | 120.5° | 120.2° |
| C28 | C27 | C17 | H36 | 120.6° | 120.4° |
| C28 | C27 | C17 | C16 | 53.0° | 50.3° |
| C27 | C28 | C29 | H31 | 67.2° | 178.5° |
| C27 | C28 | C29 | H32 | 173.7° | 60.4° |
| C27 | C28 | H33 | H34 | 119.4° | 119.0° |
| C28 | C27 | H35 | H36 | 118.4° | 119.3° |
| C26 | C25 | C24 | O4 | 19.9° | 106.8° |
| C26 | C25 | C20 | C21 | 150.3° | 137.2° |
| C26 | C25 | C24 | C23 | 142.3° | 133.4° |
| C26 | C25 | C20 | C24 | 177.8° | 180.0° |
| C26 | C25 | C20 | C19 | 26.8° | 43.0° |
| C25 | C26 | H39 | H40 | 180.0° | 180.0° |
| C26 | C25 | C24 | H41 | 98.5° | 13.7° |
| C29 | C30 | C13 | C16 | 115.6° | 118.7° |
| C29 | C30 | C13 | C14 | 164.5° | 148.9° |
| C29 | C30 | C16 | C17 | 62.8° | 66.5° |
| C29 | C30 | C16 | C15 | 167.2° | 171.4° |
| C29 | C30 | C13 | H15 | 51.9° | 30.0° |
| C29 | C30 | C31 | H27 | 180.0° | 59.3° |
| C29 | C30 | C31 | H28 | 60.0° | 179.3° |
| C29 | C30 | C31 | H29 | 60.0° | 60.7° |
| C29 | C30 | C16 | H30 | 53.1° | 53.8° |
| C30 | C29 | H31 | H32 | 118.6° | 120.9° |
| C30 | C29 | C28 | H33 | 67.0° | 61.6° |
| C30 | C29 | C28 | H34 | 173.4° | 179.7° |
| C30 | C13 | C14 | H15 | 112.6° | 119.0° |
| C30 | C13 | C14 | C15 | 36.0° | 4.0° |
| C13 | C30 | C16 | C17 | 173.4° | 167.6° |
| C13 | C30 | C16 | C15 | 43.3° | 45.6° |
| C30 | C13 | C11 | H11 | 6.6° | 57.0° |
| C30 | C13 | C14 | H16 | 155.1° | 123.2° |
| C30 | C13 | C14 | H17 | 83.1° | 115.3° |
| C13 | C30 | C31 | H27 | 46.7° | 169.7° |
| C13 | C30 | C31 | H28 | 73.3° | 49.8° |
| C13 | C30 | C31 | H29 | 166.7° | 70.2° |
| C13 | C30 | C16 | H30 | 70.7° | 72.0° |
| C13 | C30 | C29 | H31 | 52.3° | 56.1° |
| C13 | C30 | C29 | H32 | 66.9° | 64.9° |
| C16 | C30 | C13 | C14 | 48.9° | 30.2° |
| C30 | C16 | C15 | C14 | 22.0° | 42.3° |
| C30 | C16 | C17 | C18 | 119.2° | 121.9° |
| C30 | C16 | C17 | C27 | 60.0° | 58.1° |
| C30 | C16 | C17 | C15 | 119.0° | 111.5° |
| C30 | C16 | C17 | H30 | 115.6° | 120.3° |
| C30 | C16 | C15 | H30 | 114.0° | 117.7° |
| C16 | C30 | C13 | H15 | 63.7° | 88.7° |
| C30 | C16 | C15 | H18 | 141.4° | 160.7° |
| C30 | C16 | C15 | H19 | 97.4° | 76.0° |
| C16 | C30 | C31 | H27 | 61.5° | 57.8° |
| C16 | C30 | C31 | H28 | 178.5° | 62.1° |
| C16 | C30 | C31 | H29 | 58.4° | 177.9° |
| C16 | C30 | C29 | H31 | 58.6° | 172.4° |
| C16 | C30 | C29 | H32 | 177.7° | 51.5° |
| O4 | C24 | C23 | C25 | 121.7° | 119.7° |
| O4 | C24 | C23 | H41 | 119.0° | 120.6° |
| O4 | C24 | C23 | C22 | 174.6° | 62.0° |
| O4 | C24 | C25 | C20 | 158.1° | 73.2° |
| O4 | C24 | C25 | H41 | 118.4° | 120.5° |
| O4 | C24 | C23 | H42 | 65.3° | 177.9° |
| O4 | C24 | C23 | H43 | 54.6° | 58.1° |
| C20 | C21 | C22 | H45 | 120.4° | 119.8° |
| C20 | C21 | C22 | H46 | 120.5° | 119.7° |
| C20 | C21 | C22 | C23 | 53.1° | 57.4° |
| C21 | C20 | C25 | C19 | 177.0° | 179.7° |
| C21 | C20 | C25 | C24 | 27.5° | 42.8° |
| C21 | C20 | C19 | C18 | 179.9° | 179.7° |
| C20 | C21 | C22 | O3 | 68.4° | 177.6° |
| C21 | C20 | C19 | H38 | 0.0° | 0.2° |
| C20 | C21 | C22 | H44 | 171.6° | 62.7° |
| C20 | C21 | H45 | H46 | 118.6° | 120.5° |
| C21 | C22 | C23 | C24 | 62.5° | 66.1° |
| C21 | C22 | C23 | O3 | 122.0° | 120.3° |
| C21 | C22 | C23 | H44 | 118.5° | 119.9° |
| C22 | C21 | C20 | C25 | 35.9° | 46.2° |
| C22 | C21 | C20 | C19 | 146.7° | 133.5° |
| C21 | C22 | O3 | H44 | 119.3° | 119.6° |
| C21 | C22 | O3 | H1 | 180.0° | 59.5° |
| C21 | C22 | C23 | H42 | 177.4° | 54.1° |
| C21 | C22 | C23 | H43 | 57.6° | 173.8° |
| C22 | C21 | H45 | H46 | 118.6° | 120.3° |
| C24 | C23 | C22 | H42 | 120.1° | 120.2° |
| C24 | C23 | C22 | H43 | 120.1° | 120.1° |
| C23 | C24 | C25 | C20 | 35.7° | 46.6° |
| C23 | C24 | C25 | H41 | 119.2° | 119.7° |
| C24 | C23 | C22 | O3 | 59.5° | 173.6° |
| C23 | C24 | O4 | H3 | 180.0° | 178.9° |
| C24 | C23 | H42 | H43 | 119.7° | 119.8° |
| C24 | C23 | C22 | H44 | 179.0° | 53.8° |
| C22 | C23 | C24 | C25 | 53.0° | 57.7° |
| C23 | C22 | O3 | H44 | 118.8° | 119.9° |
| C23 | C22 | O3 | H1 | 58.2° | 179.9° |
| C22 | C23 | C24 | H41 | 66.3° | 177.4° |
| C22 | C23 | H42 | H43 | 119.6° | 119.8° |
| C23 | C22 | C21 | H45 | 67.4° | 177.2° |
| C23 | C22 | C21 | H46 | 173.5° | 62.3° |
| C25 | C20 | C19 | C18 | 3.0° | 0.1° |
| C25 | C20 | C19 | H38 | 177.0° | 179.9° |
| C20 | C25 | C26 | H39 | 177.8° | 0.0° |
| C20 | C25 | C26 | H40 | 2.2° | 180.0° |
| C20 | C25 | C24 | H41 | 83.6° | 166.3° |
| C25 | C20 | C21 | H45 | 84.5° | 166.0° |
| C25 | C20 | C21 | H46 | 156.4° | 73.4° |
| C24 | C25 | C20 | C19 | 155.4° | 137.0° |
| C25 | C24 | O4 | H3 | 55.9° | 60.0° |
| C24 | C25 | C26 | H39 | 0.0° | 180.0° |
| C24 | C25 | C26 | H40 | 180.0° | 0.0° |
| C25 | C24 | C23 | H42 | 173.1° | 62.4° |
| C25 | C24 | C23 | H43 | 67.1° | 177.8° |
| C13 | C14 | C15 | H16 | 119.1° | 119.2° |
| C13 | C14 | C15 | H17 | 119.1° | 119.2° |
| C13 | C14 | C15 | C16 | 8.4° | 24.1° |
| C14 | C13 | C11 | H11 | 114.5° | 58.6° |
| C13 | C14 | H16 | H17 | 122.5° | 121.5° |
| C13 | C14 | C15 | H18 | 111.0° | 142.5° |
| C13 | C14 | C15 | H19 | 127.8° | 94.3° |
| C20 | C19 | C18 | H38 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 178.4° | 180.0° |
| C20 | C19 | C18 | H37 | 1.6° | 0.1° |
| C19 | C20 | C21 | H45 | 92.8° | 13.7° |
| C19 | C20 | C21 | H46 | 26.3° | 106.9° |
| C14 | C15 | C16 | C17 | 142.3° | 156.2° |
| C14 | C15 | C16 | H18 | 119.4° | 118.4° |
| C14 | C15 | C16 | H19 | 119.4° | 118.3° |
| C15 | C14 | C13 | H15 | 76.6° | 115.0° |
| C15 | C14 | H16 | H17 | 122.6° | 121.6° |
| C14 | C15 | H18 | H19 | 121.7° | 123.2° |
| C14 | C15 | C16 | H30 | 92.0° | 75.4° |
| C19 | C18 | C17 | H37 | 180.0° | 180.0° |
| C19 | C18 | C17 | C27 | 3.6° | 0.0° |
| C19 | C18 | C17 | C16 | 177.3° | 180.0° |
| C18 | C17 | C27 | C16 | 179.2° | 180.0° |
| C18 | C17 | C16 | C15 | 0.3° | 10.3° |
| C18 | C17 | C16 | H30 | 125.2° | 117.9° |
| C18 | C17 | C27 | H35 | 5.7° | 9.5° |
| C18 | C17 | C27 | H36 | 113.3° | 109.8° |
| C17 | C18 | C19 | H38 | 1.7° | 0.1° |
| C27 | C17 | C16 | C15 | 179.0° | 169.7° |
| C27 | C17 | C16 | H30 | 55.5° | 62.1° |
| C17 | C27 | C28 | H33 | 72.9° | 72.0° |
| C17 | C27 | C28 | H34 | 167.5° | 169.2° |
| C17 | C27 | H35 | H36 | 118.3° | 119.4° |
| C27 | C17 | C18 | H37 | 176.4° | 180.0° |
| O3 | C22 | C23 | H42 | 60.6° | 66.2° |
| O3 | C22 | C23 | H43 | 179.6° | 53.5° |
| O3 | C22 | C21 | H45 | 171.2° | 62.5° |
| O3 | C22 | C21 | H46 | 52.1° | 57.9° |
| C17 | C16 | C15 | H30 | 125.7° | 128.4° |
| C17 | C16 | C15 | H18 | 98.3° | 85.4° |
| C17 | C16 | C15 | H19 | 23.0° | 37.9° |
| C16 | C17 | C27 | H35 | 173.5° | 170.5° |
| C16 | C17 | C27 | H36 | 67.5° | 70.1° |
| C16 | C17 | C18 | H37 | 2.7° | 0.0° |
| C16 | C15 | C14 | H16 | 127.5° | 95.0° |
| C16 | C15 | C14 | H17 | 110.8° | 143.3° |
| C16 | C15 | H18 | H19 | 121.8° | 123.5° |
| H1 | O3 | C22 | H44 | 60.7° | 60.1° |
| H2 | C4 | C3 | H25 | 3.0° | 14.7° |
| H3 | O4 | C24 | H41 | 61.8° | 60.5° |
| H4 | C6 | C7 | H6 | 140.8° | 145.1° |
| H4 | C6 | C7 | H7 | 0.1° | 0.0° |
| H5 | C6 | C7 | H6 | 0.1° | 0.1° |
| H5 | C6 | C7 | H7 | 140.8° | 145.0° |
| H8 | C8 | C9 | H9 | 120.4° | 60.2° |
| H8 | C8 | O2 | H26 | 131.7° | 176.8° |
| H9 | C9 | C10 | H10 | 174.9° | 174.6° |
| H10 | C10 | C11 | H11 | 167.0° | 175.9° |
| H11 | C11 | C12 | H12 | 63.9° | 53.9° |
| H11 | C11 | C12 | H13 | 56.1° | 66.2° |
| H11 | C11 | C12 | H14 | 176.0° | 173.8° |
| H11 | C11 | C13 | H15 | 127.7° | 179.3° |
| H12 | C12 | H13 | H14 | 120.0° | 120.0° |
| H15 | C13 | C14 | H16 | 42.5° | 4.2° |
| H15 | C13 | C14 | H17 | 164.2° | 125.8° |
| H16 | C14 | C15 | H18 | 8.1° | 23.4° |
| H16 | C14 | C15 | H19 | 113.1° | 146.5° |
| H17 | C14 | C15 | H18 | 129.8° | 98.3° |
| H17 | C14 | C15 | H19 | 8.6° | 24.9° |
| H18 | C15 | C16 | H30 | 27.4° | 42.9° |
| H19 | C15 | C16 | H30 | 148.6° | 166.3° |
| H20 | C1 | C | H22 | 60.0° | 175.0° |
| H20 | C1 | C | H23 | 180.0° | 65.0° |
| H20 | C1 | C | H24 | 60.0° | 55.0° |
| H21 | C1 | C | H22 | 60.0° | 55.0° |
| H21 | C1 | C | H23 | 60.0° | 175.0° |
| H21 | C1 | C | H24 | 180.0° | 65.0° |
| H22 | C | H23 | H24 | 120.0° | 120.0° |
| H27 | C31 | H28 | H29 | 120.0° | 120.0° |
| H31 | C29 | C28 | H33 | 172.6° | 57.9° |
| H31 | C29 | C28 | H34 | 52.9° | 60.8° |
| H32 | C29 | C28 | H33 | 53.5° | 178.9° |
| H32 | C29 | C28 | H34 | 66.2° | 60.2° |
| H33 | C28 | C27 | H35 | 47.6° | 48.3° |
| H33 | C28 | C27 | H36 | 166.5° | 167.6° |
| H34 | C28 | C27 | H35 | 72.0° | 70.5° |
| H34 | C28 | C27 | H36 | 46.9° | 48.8° |
| H37 | C18 | C19 | H38 | 178.3° | 179.9° |
| H41 | C24 | C23 | H42 | 53.8° | 57.3° |
| H41 | C24 | C23 | H43 | 173.6° | 62.5° |
| H42 | C23 | C22 | H44 | 58.9° | 174.0° |
| H43 | C23 | C22 | H44 | 60.9° | 66.3° |
| H44 | C22 | C21 | H45 | 51.2° | 57.2° |
| H44 | C22 | C21 | H46 | 67.9° | 177.6° |
