T2Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C8 | C10 | sing | 1.51Å | 1.51Å | |
| C8 | O7 | sing | 1.43Å | 1.44Å | |
| O | C6 | sing | 1.43Å | 1.45Å | |
| O | C5 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.46Å | |
| C5 | C3 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | doub | 1.33Å | 1.32Å | |
| O8 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.47Å | 1.43Å | |
| O1 | C25 | doub | 1.21Å | 1.20Å | |
| O3 | C23 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | doub | 1.33Å | 1.33Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C25 | O2 | sing | 1.34Å | 1.35Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C13 | C15 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C15 | O2 | sing | 1.45Å | 1.44Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C16 | C29 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | doub | 1.31Å | 1.32Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | O5 | sing | 1.45Å | 1.46Å | |
| C20 | C26 | sing | 1.53Å | 1.52Å | |
| C20 | O4 | sing | 1.43Å | 1.44Å | |
| O6 | C27 | doub | 1.21Å | 1.20Å | |
| C27 | O5 | sing | 1.34Å | 1.35Å | |
| C27 | C28 | sing | 1.51Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.08Å | 1.08Å | |
| C18 | H25 | sing | 1.08Å | 1.08Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C9 | H43 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.09Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| O4 | H46 | sing | 0.97Å | 0.95Å | |
| O7 | H47 | sing | 0.97Å | 0.95Å | |
| O8 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 112.0° | 109.5° |
| C9 | C8 | C10 | 110.5° | 109.5° |
| C9 | C8 | O7 | 108.3° | 109.5° |
| C8 | C9 | H43 | 109.5° | 109.5° |
| C8 | C9 | H44 | 109.5° | 109.5° |
| C8 | C9 | H45 | 109.5° | 109.5° |
| C8 | C7 | C6 | 110.3° | 109.4° |
| C7 | C8 | C10 | 108.1° | 109.5° |
| C7 | C8 | O7 | 107.9° | 109.5° |
| C8 | C7 | H10 | 109.2° | 109.5° |
| C8 | C7 | H11 | 109.3° | 109.5° |
| C7 | C6 | O | 115.9° | 117.8° |
| C7 | C6 | C5 | 123.5° | 117.8° |
| C7 | C6 | H9 | 114.6° | 115.7° |
| C6 | C7 | H10 | 109.3° | 109.5° |
| C6 | C7 | H11 | 109.3° | 109.4° |
| C10 | C8 | O7 | 109.9° | 109.4° |
| C8 | C10 | C11 | 126.5° | 120.0° |
| C8 | C10 | H16 | 116.8° | 120.0° |
| C8 | O7 | H47 | 109.5° | 114.0° |
| C6 | O | C5 | 60.7° | 64.7° |
| O | C6 | C5 | 59.5° | 57.6° |
| O | C6 | H9 | 116.0° | 117.8° |
| O | C5 | C6 | 59.8° | 57.7° |
| O | C5 | C3 | 113.4° | 117.8° |
| O | C5 | H8 | 118.1° | 117.8° |
| C6 | C5 | C3 | 119.4° | 117.8° |
| C6 | C5 | H8 | 117.7° | 117.8° |
| C5 | C6 | H9 | 115.8° | 117.7° |
| C5 | C3 | C2 | 111.1° | 109.5° |
| C5 | C3 | C4 | 111.3° | 109.4° |
| C5 | C3 | H4 | 107.5° | 109.4° |
| C3 | C5 | H8 | 116.3° | 115.7° |
| C10 | C11 | C12 | 120.6° | 120.0° |
| C11 | C10 | H16 | 116.8° | 120.0° |
| C10 | C11 | H17 | 119.7° | 120.0° |
| O8 | C2 | C3 | 108.8° | 109.5° |
| O8 | C2 | C1 | 109.4° | 109.5° |
| O8 | C2 | H3 | 109.7° | 109.5° |
| C2 | O8 | H48 | 109.5° | 114.0° |
| C3 | C2 | C1 | 112.0° | 109.4° |
| C2 | C3 | C4 | 111.6° | 109.5° |
| C3 | C2 | H3 | 108.3° | 109.5° |
| C2 | C3 | H4 | 107.5° | 109.5° |
| C2 | C1 | C | 113.7° | 109.5° |
| C2 | C1 | H1 | 108.4° | 109.5° |
| C2 | C1 | H2 | 108.4° | 109.5° |
| C1 | C2 | H3 | 108.6° | 109.5° |
| C4 | C3 | H4 | 107.6° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C4 | H7 | 109.5° | 109.4° |
| C11 | C12 | C13 | 128.1° | 120.0° |
| C12 | C11 | H17 | 119.7° | 120.0° |
| C11 | C12 | H18 | 115.9° | 120.0° |
| O1 | C25 | C24 | 124.9° | 120.0° |
| O1 | C25 | O2 | 124.0° | 120.0° |
| O3 | C23 | C24 | 108.8° | 109.5° |
| O3 | C23 | C22 | 109.0° | 109.5° |
| C23 | O3 | H12 | 109.5° | 114.0° |
| O3 | C23 | H31 | 109.5° | 109.5° |
| C12 | C13 | C15 | 119.2° | 120.0° |
| C12 | C13 | C14 | 124.3° | 120.0° |
| C13 | C12 | H18 | 116.0° | 120.0° |
| C | C1 | H1 | 108.4° | 109.5° |
| C | C1 | H2 | 108.4° | 109.4° |
| C1 | C | H13 | 109.5° | 109.4° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C24 | C25 | O2 | 111.2° | 120.0° |
| C25 | C24 | C23 | 117.0° | 109.5° |
| C25 | C24 | H32 | 107.5° | 109.4° |
| C25 | C24 | H33 | 107.6° | 109.5° |
| C25 | O2 | C15 | 117.9° | 117.0° |
| C24 | C23 | C22 | 112.8° | 109.5° |
| C24 | C23 | H31 | 108.3° | 109.5° |
| C23 | C24 | H32 | 107.6° | 109.5° |
| C23 | C24 | H33 | 107.6° | 109.5° |
| C23 | C22 | C21 | 114.1° | 109.4° |
| C23 | C22 | H29 | 108.3° | 109.5° |
| C23 | C22 | H30 | 108.3° | 109.5° |
| C22 | C23 | H31 | 108.4° | 109.4° |
| C15 | C13 | C14 | 116.6° | 120.0° |
| C13 | C15 | O2 | 110.1° | 109.5° |
| C13 | C15 | C16 | 113.8° | 109.5° |
| C13 | C15 | H22 | 108.7° | 109.5° |
| C13 | C14 | H19 | 109.5° | 109.4° |
| C13 | C14 | H20 | 109.5° | 109.4° |
| C13 | C14 | H21 | 109.4° | 109.5° |
| O2 | C15 | C16 | 106.4° | 109.5° |
| O2 | C15 | H22 | 109.5° | 109.4° |
| C15 | C16 | C29 | 111.6° | 109.5° |
| C15 | C16 | C17 | 110.2° | 109.5° |
| C16 | C15 | H22 | 108.3° | 109.4° |
| C15 | C16 | H23 | 108.4° | 109.4° |
| C22 | C21 | C20 | 117.1° | 109.5° |
| C22 | C21 | H27 | 107.5° | 109.5° |
| C22 | C21 | H28 | 107.5° | 109.5° |
| C21 | C22 | H29 | 108.3° | 109.5° |
| C21 | C22 | H30 | 108.3° | 109.5° |
| C29 | C16 | C17 | 109.3° | 109.5° |
| C29 | C16 | H23 | 108.5° | 109.5° |
| C16 | C29 | H40 | 109.5° | 109.5° |
| C16 | C29 | H41 | 109.5° | 109.5° |
| C16 | C29 | H42 | 109.5° | 109.5° |
| C16 | C17 | C18 | 126.2° | 120.0° |
| C17 | C16 | H23 | 108.8° | 109.4° |
| C16 | C17 | H24 | 116.9° | 120.0° |
| C17 | C18 | C19 | 124.0° | 120.0° |
| C18 | C17 | H24 | 116.9° | 120.0° |
| C17 | C18 | H25 | 118.0° | 119.9° |
| C21 | C20 | C19 | 111.1° | 109.5° |
| C21 | C20 | C26 | 110.7° | 109.5° |
| C21 | C20 | O4 | 107.6° | 109.5° |
| C20 | C21 | H27 | 107.6° | 109.5° |
| C20 | C21 | H28 | 107.5° | 109.4° |
| C18 | C19 | C20 | 112.6° | 109.5° |
| C18 | C19 | O5 | 108.1° | 109.5° |
| C19 | C18 | H25 | 118.0° | 120.0° |
| C18 | C19 | H26 | 109.6° | 109.5° |
| C20 | C19 | O5 | 107.6° | 109.5° |
| C19 | C20 | C26 | 110.2° | 109.5° |
| C19 | C20 | O4 | 108.5° | 109.5° |
| C20 | C19 | H26 | 108.9° | 109.5° |
| C19 | O5 | C27 | 117.5° | 117.0° |
| O5 | C19 | H26 | 110.1° | 109.5° |
| C26 | C20 | O4 | 108.6° | 109.5° |
| C20 | C26 | H34 | 109.5° | 109.5° |
| C20 | C26 | H35 | 109.5° | 109.5° |
| C20 | C26 | H36 | 109.5° | 109.4° |
| C20 | O4 | H46 | 109.5° | 114.0° |
| O6 | C27 | O5 | 123.1° | 120.0° |
| O6 | C27 | C28 | 125.7° | 120.0° |
| O5 | C27 | C28 | 111.2° | 120.0° |
| C27 | C28 | H37 | 109.5° | 109.5° |
| C27 | C28 | H38 | 109.5° | 109.5° |
| C27 | C28 | H39 | 109.4° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H5 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.4° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H13 | C | H14 | 109.5° | 109.5° |
| H13 | C | H15 | 109.4° | 109.5° |
| H14 | C | H15 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H21 | 109.4° | 109.6° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.5° | 109.5° |
| H34 | C26 | H35 | 109.4° | 109.5° |
| H34 | C26 | H36 | 109.5° | 109.4° |
| H35 | C26 | H36 | 109.5° | 109.5° |
| H37 | C28 | H38 | 109.5° | 109.5° |
| H37 | C28 | H39 | 109.5° | 109.5° |
| H38 | C28 | H39 | 109.5° | 109.5° |
| H40 | C29 | H41 | 109.5° | 109.4° |
| H40 | C29 | H42 | 109.4° | 109.5° |
| H41 | C29 | H42 | 109.5° | 109.5° |
| H43 | C9 | H44 | 109.5° | 109.4° |
| H43 | C9 | H45 | 109.5° | 109.5° |
| H44 | C9 | H45 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | C10 | 122.0° | 120.0° |
| C9 | C8 | C7 | O7 | 119.1° | 120.0° |
| C9 | C8 | C7 | C6 | 179.4° | 55.0° |
| C9 | C8 | C10 | O7 | 119.5° | 120.0° |
| C9 | C8 | C10 | C11 | 107.6° | 120.0° |
| C9 | C8 | C7 | H10 | 59.3° | 175.0° |
| C9 | C8 | C7 | H11 | 60.5° | 65.0° |
| C9 | C8 | C10 | H16 | 72.4° | 60.0° |
| C8 | C9 | H43 | H44 | 120.0° | 120.0° |
| C8 | C9 | H43 | H45 | 120.0° | 120.0° |
| C8 | C9 | H44 | H45 | 120.0° | 120.0° |
| C9 | C8 | O7 | H47 | 180.0° | 180.0° |
| C8 | C7 | C6 | H10 | 120.1° | 120.0° |
| C8 | C7 | C6 | H11 | 120.1° | 120.0° |
| C7 | C8 | C10 | O7 | 117.6° | 119.9° |
| C8 | C7 | C6 | O | 169.2° | 119.0° |
| C8 | C7 | C6 | C5 | 121.6° | 175.0° |
| C7 | C8 | C10 | C11 | 129.5° | 120.0° |
| C8 | C7 | C6 | H9 | 29.7° | 28.1° |
| C8 | C7 | H10 | H11 | 119.6° | 120.0° |
| C7 | C8 | C10 | H16 | 50.5° | 60.0° |
| C7 | C8 | C9 | H43 | 180.0° | 60.0° |
| C7 | C8 | C9 | H44 | 60.0° | 180.0° |
| C7 | C8 | C9 | H45 | 60.0° | 60.0° |
| C7 | C8 | O7 | H47 | 58.6° | 60.0° |
| C6 | C7 | C8 | C10 | 58.6° | 175.0° |
| C6 | C7 | C8 | O7 | 60.3° | 65.1° |
| C7 | C6 | O | C5 | 115.2° | 106.8° |
| C7 | C6 | O | H9 | 138.9° | 146.4° |
| C7 | C6 | C5 | H9 | 151.0° | 146.2° |
| C7 | C6 | C5 | C3 | 155.9° | 146.2° |
| C7 | C6 | C5 | H8 | 5.4° | 0.1° |
| C6 | C7 | H10 | H11 | 119.6° | 120.0° |
| C8 | C10 | C11 | H16 | 180.0° | 180.0° |
| C8 | C10 | C11 | C12 | 179.9° | 180.0° |
| C10 | C8 | C7 | H10 | 178.7° | 65.0° |
| C10 | C8 | C7 | H11 | 61.6° | 55.1° |
| C8 | C10 | C11 | H17 | 0.1° | 0.1° |
| C10 | C8 | C9 | H43 | 59.3° | 180.0° |
| C10 | C8 | C9 | H44 | 60.7° | 60.0° |
| C10 | C8 | C9 | H45 | 179.3° | 60.0° |
| C10 | C8 | O7 | H47 | 59.1° | 60.0° |
| O7 | C8 | C10 | C11 | 11.9° | 0.0° |
| O7 | C8 | C7 | H10 | 59.8° | 54.9° |
| O7 | C8 | C7 | H11 | 179.5° | 175.0° |
| O7 | C8 | C10 | H16 | 168.1° | 180.0° |
| O7 | C8 | C9 | H43 | 61.2° | 60.0° |
| O7 | C8 | C9 | H44 | 178.8° | 60.0° |
| O7 | C8 | C9 | H45 | 58.9° | 180.0° |
| O | C6 | C5 | H9 | 106.3° | 106.9° |
| C6 | O | C5 | C3 | 111.5° | 106.9° |
| C6 | O | C5 | H8 | 107.4° | 106.9° |
| O | C6 | C7 | H10 | 49.1° | 121.0° |
| O | C6 | C7 | H11 | 70.7° | 1.0° |
| O | C5 | C3 | H8 | 141.9° | 146.9° |
| O | C5 | C3 | C2 | 99.8° | 112.5° |
| O | C5 | C3 | C4 | 135.2° | 127.5° |
| O | C5 | C3 | H4 | 17.6° | 7.5° |
| C6 | C5 | C3 | H8 | 150.9° | 147.0° |
| C6 | C5 | C3 | C2 | 167.1° | 178.6° |
| C6 | C5 | C3 | C4 | 67.9° | 61.4° |
| C6 | C5 | C3 | H4 | 49.7° | 58.6° |
| C5 | C6 | C7 | H10 | 118.3° | 55.0° |
| C5 | C6 | C7 | H11 | 1.5° | 65.0° |
| C5 | C3 | C2 | O8 | 61.3° | 65.0° |
| C5 | C3 | C2 | C4 | 124.9° | 120.0° |
| C5 | C3 | C2 | H4 | 117.4° | 120.0° |
| C5 | C3 | C2 | C1 | 177.6° | 175.0° |
| C5 | C3 | C4 | H4 | 117.5° | 120.0° |
| C5 | C3 | C2 | H3 | 57.9° | 55.0° |
| C5 | C3 | C4 | H5 | 180.0° | 60.0° |
| C5 | C3 | C4 | H6 | 60.0° | 60.0° |
| C5 | C3 | C4 | H7 | 60.0° | 179.9° |
| C3 | C5 | C6 | H9 | 4.8° | 0.0° |
| C10 | C11 | C12 | H17 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 177.9° | 180.0° |
| C10 | C11 | C12 | H18 | 2.1° | 0.0° |
| O8 | C2 | C3 | C1 | 121.1° | 120.0° |
| O8 | C2 | C3 | H3 | 119.2° | 120.0° |
| O8 | C2 | C1 | H3 | 119.7° | 120.0° |
| O8 | C2 | C3 | C4 | 63.5° | 55.0° |
| O8 | C2 | C1 | C | 175.4° | 65.0° |
| O8 | C2 | C1 | H1 | 54.8° | 55.0° |
| O8 | C2 | C1 | H2 | 64.0° | 175.0° |
| O8 | C2 | C3 | H4 | 178.7° | 175.0° |
| C3 | C2 | C1 | H3 | 119.6° | 120.0° |
| C2 | C3 | C4 | H4 | 117.7° | 120.1° |
| C3 | C2 | C1 | C | 63.9° | 175.0° |
| C3 | C2 | C1 | H1 | 175.5° | 65.0° |
| C3 | C2 | C1 | H2 | 56.7° | 55.0° |
| C2 | C3 | C4 | H5 | 55.3° | 59.9° |
| C2 | C3 | C4 | H6 | 64.8° | 180.0° |
| C2 | C3 | C4 | H7 | 175.3° | 60.1° |
| C2 | C3 | C5 | H8 | 42.1° | 34.4° |
| C3 | C2 | O8 | H48 | 180.0° | 60.0° |
| C1 | C2 | C3 | C4 | 57.5° | 65.0° |
| C2 | C1 | C | H1 | 120.6° | 120.0° |
| C2 | C1 | C | H2 | 120.6° | 120.0° |
| C2 | C1 | H1 | H2 | 118.1° | 120.0° |
| C1 | C2 | C3 | H4 | 60.2° | 55.0° |
| C2 | C1 | C | H13 | 180.0° | 60.0° |
| C2 | C1 | C | H14 | 60.0° | 180.0° |
| C2 | C1 | C | H15 | 60.0° | 60.0° |
| C1 | C2 | O8 | H48 | 57.3° | 60.0° |
| C4 | C3 | C2 | H3 | 177.2° | 175.0° |
| C3 | C4 | H5 | H6 | 120.0° | 120.0° |
| C3 | C4 | H5 | H7 | 120.0° | 120.0° |
| C3 | C4 | H6 | H7 | 120.0° | 119.9° |
| C4 | C3 | C5 | H8 | 83.0° | 85.6° |
| C11 | C12 | C13 | H18 | 180.0° | 180.0° |
| C11 | C12 | C13 | C15 | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | C10 | H16 | 0.1° | 0.0° |
| O1 | C25 | C24 | O2 | 179.6° | 180.0° |
| O1 | C25 | C24 | C23 | 71.4° | 78.7° |
| O1 | C25 | O2 | C15 | 4.3° | 0.4° |
| O1 | C25 | C24 | H32 | 49.7° | 161.3° |
| O1 | C25 | C24 | H33 | 167.5° | 41.3° |
| O3 | C23 | C24 | C25 | 56.2° | 37.5° |
| O3 | C23 | C24 | C22 | 121.0° | 120.0° |
| O3 | C23 | C24 | H31 | 119.0° | 120.0° |
| O3 | C23 | C22 | H31 | 119.2° | 120.0° |
| O3 | C23 | C22 | C21 | 177.0° | 3.1° |
| O3 | C23 | C22 | H29 | 56.3° | 116.8° |
| O3 | C23 | C22 | H30 | 62.4° | 123.2° |
| O3 | C23 | C24 | H32 | 64.9° | 157.5° |
| O3 | C23 | C24 | H33 | 177.3° | 82.5° |
| C12 | C13 | C15 | C14 | 179.6° | 179.9° |
| C12 | C13 | C15 | O2 | 109.7° | 125.0° |
| C12 | C13 | C15 | C16 | 131.0° | 114.9° |
| C13 | C12 | C11 | H17 | 2.1° | 0.0° |
| C12 | C13 | C14 | H19 | 180.0° | 90.0° |
| C12 | C13 | C14 | H20 | 60.0° | 150.0° |
| C12 | C13 | C14 | H21 | 60.0° | 30.1° |
| C12 | C13 | C15 | H22 | 10.3° | 5.1° |
| C | C1 | H1 | H2 | 118.1° | 120.0° |
| C | C1 | C2 | H3 | 55.7° | 55.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C25 | C24 | C23 | H32 | 121.1° | 120.0° |
| C25 | C24 | C23 | H33 | 121.1° | 120.0° |
| C25 | C24 | C23 | C22 | 64.9° | 82.5° |
| C24 | C25 | O2 | C15 | 175.4° | 179.6° |
| C25 | C24 | C23 | H31 | 175.2° | 157.5° |
| C25 | C24 | H32 | H33 | 116.6° | 120.0° |
| O2 | C25 | C24 | C23 | 108.2° | 101.3° |
| C25 | O2 | C15 | C13 | 90.5° | 104.3° |
| C25 | O2 | C15 | C16 | 145.8° | 135.7° |
| C25 | O2 | C15 | H22 | 28.9° | 15.7° |
| O2 | C25 | C24 | H32 | 130.7° | 18.7° |
| O2 | C25 | C24 | H33 | 12.9° | 138.7° |
| C24 | C23 | C22 | H31 | 119.9° | 120.0° |
| C24 | C23 | C22 | C21 | 56.0° | 123.2° |
| C24 | C23 | O3 | H12 | 180.0° | 60.0° |
| C24 | C23 | C22 | H29 | 64.7° | 3.2° |
| C24 | C23 | C22 | H30 | 176.7° | 116.8° |
| C23 | C24 | H32 | H33 | 116.6° | 120.0° |
| C23 | C22 | C21 | H29 | 120.7° | 120.0° |
| C23 | C22 | C21 | H30 | 120.7° | 120.0° |
| C23 | C22 | C21 | C20 | 179.7° | 166.1° |
| C22 | C23 | O3 | H12 | 56.7° | 180.0° |
| C23 | C22 | C21 | H27 | 58.6° | 73.9° |
| C23 | C22 | C21 | H28 | 59.2° | 46.1° |
| C23 | C22 | H29 | H30 | 117.9° | 120.0° |
| C22 | C23 | C24 | H32 | 174.1° | 37.5° |
| C22 | C23 | C24 | H33 | 56.2° | 157.5° |
| C13 | C15 | O2 | C16 | 123.7° | 120.1° |
| C13 | C15 | O2 | H22 | 119.4° | 120.0° |
| C13 | C15 | C16 | H22 | 120.9° | 120.0° |
| C13 | C15 | C16 | C29 | 64.7° | 63.7° |
| C13 | C15 | C16 | C17 | 173.6° | 176.2° |
| C15 | C13 | C12 | H18 | 0.2° | 0.1° |
| C15 | C13 | C14 | H19 | 0.5° | 89.9° |
| C15 | C13 | C14 | H20 | 119.6° | 30.0° |
| C15 | C13 | C14 | H21 | 120.4° | 150.0° |
| C13 | C15 | C16 | H23 | 54.7° | 56.3° |
| C14 | C13 | C15 | O2 | 69.9° | 55.0° |
| C14 | C13 | C15 | C16 | 49.4° | 65.0° |
| C14 | C13 | C12 | H18 | 179.7° | 180.0° |
| C13 | C14 | H19 | H20 | 120.0° | 120.0° |
| C13 | C14 | H19 | H21 | 120.0° | 120.0° |
| C13 | C14 | H20 | H21 | 120.0° | 120.0° |
| C14 | C13 | C15 | H22 | 170.1° | 175.0° |
| O2 | C15 | C16 | H22 | 117.7° | 119.9° |
| O2 | C15 | C16 | C29 | 173.9° | 176.2° |
| O2 | C15 | C16 | C17 | 52.2° | 56.2° |
| O2 | C15 | C16 | H23 | 66.7° | 63.8° |
| C15 | C16 | C29 | C17 | 122.2° | 120.0° |
| C15 | C16 | C29 | H23 | 119.3° | 120.0° |
| C15 | C16 | C17 | H23 | 118.7° | 119.9° |
| C15 | C16 | C17 | C18 | 108.4° | 108.3° |
| C15 | C16 | C17 | H24 | 71.6° | 71.7° |
| C15 | C16 | C29 | H40 | 180.0° | 60.0° |
| C15 | C16 | C29 | H41 | 60.0° | 180.0° |
| C15 | C16 | C29 | H42 | 60.0° | 59.9° |
| C22 | C21 | C20 | H27 | 121.1° | 120.0° |
| C22 | C21 | C20 | H28 | 121.1° | 120.0° |
| C22 | C21 | C20 | C19 | 60.1° | 123.4° |
| C22 | C21 | C20 | C26 | 62.7° | 116.6° |
| C22 | C21 | C20 | O4 | 178.8° | 3.4° |
| C22 | C21 | H27 | H28 | 116.5° | 120.0° |
| C21 | C22 | H29 | H30 | 117.9° | 120.0° |
| C21 | C22 | C23 | H31 | 63.9° | 116.8° |
| C29 | C16 | C17 | H23 | 118.3° | 120.0° |
| C29 | C16 | C17 | C18 | 128.6° | 131.6° |
| C29 | C16 | C15 | H22 | 56.2° | 56.3° |
| C29 | C16 | C17 | H24 | 51.4° | 48.3° |
| C16 | C29 | H40 | H41 | 120.0° | 120.0° |
| C16 | C29 | H40 | H42 | 120.0° | 120.0° |
| C16 | C29 | H41 | H42 | 120.0° | 120.0° |
| C16 | C17 | C18 | H24 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 167.3° | 179.9° |
| C17 | C16 | C15 | H22 | 65.4° | 63.7° |
| C16 | C17 | C18 | H25 | 12.7° | 0.0° |
| C17 | C16 | C29 | H40 | 57.8° | 60.0° |
| C17 | C16 | C29 | H41 | 177.8° | 60.0° |
| C17 | C16 | C29 | H42 | 62.2° | 180.0° |
| C17 | C18 | C19 | H25 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 130.2° | 118.1° |
| C17 | C18 | C19 | O5 | 111.2° | 121.9° |
| C18 | C17 | C16 | H23 | 10.3° | 11.6° |
| C17 | C18 | C19 | H26 | 8.8° | 1.9° |
| C21 | C20 | C19 | C18 | 54.9° | 73.9° |
| C21 | C20 | C19 | C26 | 123.1° | 120.0° |
| C21 | C20 | C19 | O4 | 118.1° | 120.0° |
| C21 | C20 | C19 | O5 | 173.9° | 166.1° |
| C21 | C20 | C26 | O4 | 117.9° | 120.0° |
| C21 | C20 | C19 | H26 | 66.8° | 46.1° |
| C20 | C21 | H27 | H28 | 116.6° | 120.0° |
| C20 | C21 | C22 | H29 | 59.7° | 46.1° |
| C20 | C21 | C22 | H30 | 59.0° | 73.9° |
| C21 | C20 | C26 | H34 | 180.0° | 60.0° |
| C21 | C20 | C26 | H35 | 60.0° | 60.0° |
| C21 | C20 | C26 | H36 | 60.0° | 180.0° |
| C21 | C20 | O4 | H46 | 180.0° | 180.0° |
| C18 | C19 | C20 | O5 | 119.0° | 120.0° |
| C18 | C19 | C20 | H26 | 121.8° | 120.0° |
| C18 | C19 | O5 | H26 | 119.6° | 120.0° |
| C18 | C19 | C20 | C26 | 178.0° | 166.1° |
| C18 | C19 | C20 | O4 | 63.1° | 46.1° |
| C18 | C19 | O5 | C27 | 110.8° | 90.0° |
| C19 | C18 | C17 | H24 | 12.7° | 0.1° |
| C20 | C19 | O5 | H26 | 118.6° | 120.0° |
| C19 | C20 | C26 | O4 | 118.7° | 120.0° |
| C20 | C19 | O5 | C27 | 127.4° | 150.0° |
| C20 | C19 | C18 | H25 | 49.8° | 61.9° |
| C19 | C20 | C21 | H27 | 178.8° | 116.6° |
| C19 | C20 | C21 | H28 | 61.0° | 3.4° |
| C19 | C20 | C26 | H34 | 56.7° | 60.0° |
| C19 | C20 | C26 | H35 | 63.3° | 180.0° |
| C19 | C20 | C26 | H36 | 176.7° | 60.0° |
| C19 | C20 | O4 | H46 | 59.7° | 60.0° |
| O5 | C19 | C20 | C26 | 63.0° | 46.1° |
| O5 | C19 | C20 | O4 | 55.8° | 73.9° |
| C19 | O5 | C27 | O6 | 2.7° | 0.0° |
| C19 | O5 | C27 | C28 | 177.0° | 180.0° |
| O5 | C19 | C18 | H25 | 68.8° | 58.1° |
| C26 | C20 | C19 | H26 | 56.3° | 73.9° |
| C26 | C20 | C21 | H27 | 58.4° | 3.4° |
| C26 | C20 | C21 | H28 | 176.2° | 123.4° |
| C20 | C26 | H34 | H35 | 120.0° | 120.1° |
| C20 | C26 | H34 | H36 | 120.0° | 119.9° |
| C20 | C26 | H35 | H36 | 120.0° | 120.0° |
| C26 | C20 | O4 | H46 | 60.1° | 60.0° |
| O4 | C20 | C19 | H26 | 175.1° | 166.1° |
| O4 | C20 | C21 | H27 | 60.2° | 123.4° |
| O4 | C20 | C21 | H28 | 57.6° | 116.6° |
| O4 | C20 | C26 | H34 | 62.1° | 180.0° |
| O4 | C20 | C26 | H35 | 177.9° | 60.0° |
| O4 | C20 | C26 | H36 | 57.9° | 60.0° |
| O6 | C27 | O5 | C28 | 179.7° | 180.0° |
| O6 | C27 | C28 | H37 | 0.0° | 180.0° |
| O6 | C27 | C28 | H38 | 120.0° | 60.0° |
| O6 | C27 | C28 | H39 | 120.0° | 60.0° |
| C27 | O5 | C19 | H26 | 8.8° | 30.0° |
| O5 | C27 | C28 | H37 | 179.7° | 0.1° |
| O5 | C27 | C28 | H38 | 59.7° | 120.0° |
| O5 | C27 | C28 | H39 | 60.3° | 120.0° |
| C27 | C28 | H37 | H38 | 120.0° | 120.0° |
| C27 | C28 | H37 | H39 | 120.0° | 119.9° |
| C27 | C28 | H38 | H39 | 120.0° | 119.9° |
| H1 | C1 | C2 | H3 | 65.0° | 175.1° |
| H1 | C1 | C | H13 | 59.4° | 60.1° |
| H1 | C1 | C | H14 | 179.4° | 60.0° |
| H1 | C1 | C | H15 | 60.6° | 180.0° |
| H2 | C1 | C2 | H3 | 176.3° | 65.0° |
| H2 | C1 | C | H13 | 59.4° | 180.0° |
| H2 | C1 | C | H14 | 60.6° | 60.0° |
| H2 | C1 | C | H15 | 179.4° | 60.0° |
| H3 | C2 | C3 | H4 | 59.5° | 64.9° |
| H3 | C2 | O8 | H48 | 61.6° | 180.0° |
| H4 | C3 | C4 | H5 | 62.5° | 180.0° |
| H4 | C3 | C4 | H6 | 177.5° | 60.0° |
| H4 | C3 | C4 | H7 | 57.5° | 60.0° |
| H4 | C3 | C5 | H8 | 159.5° | 154.4° |
| H5 | C4 | H6 | H7 | 120.0° | 120.0° |
| H8 | C5 | C6 | H9 | 145.6° | 146.3° |
| H9 | C6 | C7 | H10 | 90.4° | 91.9° |
| H9 | C6 | C7 | H11 | 149.9° | 148.1° |
| H12 | O3 | C23 | H31 | 61.8° | 60.0° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
| H16 | C10 | C11 | H17 | 179.8° | 179.9° |
| H17 | C11 | C12 | H18 | 177.9° | 179.9° |
| H19 | C14 | H20 | H21 | 120.0° | 120.1° |
| H22 | C15 | C16 | H23 | 175.6° | 176.3° |
| H23 | C16 | C17 | H24 | 169.7° | 168.4° |
| H23 | C16 | C29 | H40 | 60.7° | 180.0° |
| H23 | C16 | C29 | H41 | 59.3° | 60.0° |
| H23 | C16 | C29 | H42 | 179.3° | 60.0° |
| H24 | C17 | C18 | H25 | 167.3° | 179.9° |
| H25 | C18 | C19 | H26 | 171.2° | 178.1° |
| H27 | C21 | C22 | H29 | 179.2° | 166.2° |
| H27 | C21 | C22 | H30 | 62.1° | 46.1° |
| H28 | C21 | C22 | H29 | 61.5° | 73.8° |
| H28 | C21 | C22 | H30 | 179.9° | 166.1° |
| H29 | C22 | C23 | H31 | 175.4° | 123.2° |
| H30 | C22 | C23 | H31 | 56.8° | 3.2° |
| H31 | C23 | C24 | H32 | 54.1° | 82.5° |
| H31 | C23 | C24 | H33 | 63.7° | 37.5° |
| H34 | C26 | H35 | H36 | 120.0° | 120.0° |
| H37 | C28 | H38 | H39 | 120.0° | 120.0° |
| H40 | C29 | H41 | H42 | 120.0° | 120.0° |
| H43 | C9 | H44 | H45 | 120.0° | 120.0° |
