A1L27
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.52Å | 1.52Å | |
| C2 | C3 | sing | 1.52Å | 1.52Å | |
| C3 | O1 | sing | 1.44Å | 1.44Å | |
| O1 | C4 | sing | 1.42Å | 1.42Å | |
| C4 | C5 | sing | 1.52Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.52Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C4 | C9 | sing | 1.52Å | 1.52Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.52Å | 1.52Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | sing | 1.50Å | 1.50Å | |
| C14 | C15 | doub | 1.31Å | 1.31Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.52Å | 1.52Å | |
| C18 | C19 | sing | 1.52Å | 1.52Å | |
| C18 | C20 | sing | 1.50Å | 1.50Å | |
| C20 | C21 | doub | 1.34Å | 1.34Å | |
| C21 | C22 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | doub | 1.33Å | 1.33Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C25 | sing | 1.42Å | 1.42Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | N1 | doub | 1.28Å | 1.28Å | |
| N1 | O3 | sing | 1.40Å | 1.40Å | |
| C26 | C27 | sing | 1.47Å | 1.47Å | |
| C27 | C28 | sing | 1.50Å | 1.50Å | |
| C27 | C29 | doub | 1.41Å | 1.41Å | |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C30 | C31 | sing | 1.52Å | 1.52Å | |
| C31 | O4 | doub | 1.20Å | 1.20Å | |
| C31 | O5 | sing | 1.33Å | 1.33Å | |
| C30 | C32 | sing | 1.55Å | 1.55Å | |
| C32 | O6 | sing | 1.43Å | 1.43Å | |
| C12 | O7 | sing | 1.44Å | 1.44Å | |
| C3 | C7 | sing | 1.53Å | 1.53Å | |
| C10 | O5 | sing | 1.46Å | 1.46Å | |
| C4 | O7 | sing | 1.42Å | 1.42Å | |
| C23 | C32 | sing | 1.52Å | 1.52Å | |
| C25 | C32 | sing | 1.55Å | 1.55Å | |
| C1 | H1 | sing | 1.10Å | 1.10Å | |
| C1 | H3 | sing | 1.10Å | 1.10Å | |
| C1 | H2 | sing | 1.10Å | 1.10Å | |
| C2 | H5 | sing | 1.10Å | 1.10Å | |
| C2 | H4 | sing | 1.10Å | 1.10Å | |
| C5 | H7 | sing | 1.10Å | 1.10Å | |
| C5 | H8 | sing | 1.10Å | 1.10Å | |
| C6 | H9 | sing | 1.10Å | 1.10Å | |
| C6 | H10 | sing | 1.10Å | 1.10Å | |
| C10 | H17 | sing | 1.10Å | 1.10Å | |
| C11 | H19 | sing | 1.10Å | 1.10Å | |
| C11 | H18 | sing | 1.10Å | 1.10Å | |
| C12 | H20 | sing | 1.10Å | 1.10Å | |
| C13 | H21 | sing | 1.10Å | 1.10Å | |
| C13 | H22 | sing | 1.10Å | 1.10Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | H24 | sing | 1.10Å | 1.10Å | |
| C16 | H25 | sing | 1.10Å | 1.10Å | |
| C16 | H26 | sing | 1.10Å | 1.10Å | |
| C17 | H27 | sing | 1.10Å | 1.10Å | |
| C17 | H28 | sing | 1.10Å | 1.10Å | |
| C18 | H29 | sing | 1.10Å | 1.10Å | |
| C19 | H30 | sing | 1.10Å | 1.10Å | |
| C19 | H32 | sing | 1.10Å | 1.10Å | |
| C19 | H31 | sing | 1.10Å | 1.10Å | |
| C20 | H33 | sing | 1.08Å | 1.08Å | |
| C21 | H34 | sing | 1.08Å | 1.08Å | |
| C22 | H35 | sing | 1.08Å | 1.08Å | |
| C24 | H36 | sing | 1.10Å | 1.10Å | |
| C24 | H37 | sing | 1.10Å | 1.10Å | |
| C25 | H38 | sing | 1.10Å | 1.10Å | |
| C28 | H42 | sing | 1.10Å | 1.10Å | |
| C28 | H41 | sing | 1.10Å | 1.10Å | |
| C28 | H40 | sing | 1.10Å | 1.10Å | |
| C29 | H43 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.10Å | 1.10Å | |
| C30 | H44 | sing | 1.10Å | 1.10Å | |
| C7 | H11 | sing | 1.10Å | 1.10Å | |
| C8 | H14 | sing | 1.10Å | 1.10Å | |
| C8 | H12 | sing | 1.10Å | 1.10Å | |
| C8 | H13 | sing | 1.10Å | 1.10Å | |
| C9 | H16 | sing | 1.10Å | 1.10Å | |
| C9 | H15 | sing | 1.10Å | 1.10Å | |
| O3 | H39 | sing | 0.95Å | 0.95Å | |
| O6 | H45 | sing | 0.95Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 114.0° | 114.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C1 | C2 | H5 | 108.4° | 108.4° |
| C1 | C2 | H4 | 108.3° | 108.3° |
| C2 | C3 | O1 | 106.6° | 106.6° |
| C2 | C3 | C7 | 113.8° | 113.8° |
| C3 | C2 | H5 | 108.4° | 108.4° |
| C3 | C2 | H4 | 108.3° | 108.3° |
| C2 | C3 | H6 | 108.1° | 108.1° |
| C3 | O1 | C4 | 114.5° | 114.5° |
| O1 | C3 | C7 | 111.2° | 111.2° |
| O1 | C3 | H6 | 109.1° | 109.1° |
| O1 | C4 | C5 | 109.6° | 109.6° |
| O1 | C4 | C9 | 109.3° | 109.3° |
| O1 | C4 | O7 | 108.6° | 108.6° |
| C4 | C5 | C6 | 110.7° | 110.7° |
| C5 | C4 | C9 | 112.2° | 112.2° |
| C5 | C4 | O7 | 107.1° | 107.1° |
| C4 | C5 | H7 | 109.2° | 109.2° |
| C4 | C5 | H8 | 109.2° | 109.2° |
| C5 | C6 | C7 | 111.4° | 111.4° |
| C6 | C5 | H7 | 109.1° | 109.1° |
| C6 | C5 | H8 | 109.2° | 109.2° |
| C5 | C6 | H9 | 109.0° | 109.0° |
| C5 | C6 | H10 | 109.0° | 109.0° |
| C6 | C7 | C8 | 111.4° | 111.4° |
| C6 | C7 | C3 | 108.6° | 108.6° |
| C7 | C6 | H9 | 109.0° | 109.0° |
| C7 | C6 | H10 | 109.0° | 109.0° |
| C6 | C7 | H11 | 108.2° | 108.2° |
| C8 | C7 | C3 | 112.3° | 112.3° |
| C8 | C7 | H11 | 108.1° | 108.1° |
| C7 | C8 | H14 | 109.5° | 109.5° |
| C7 | C8 | H12 | 109.4° | 109.4° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C4 | C9 | C10 | 111.7° | 111.7° |
| C9 | C4 | O7 | 110.1° | 110.1° |
| C4 | C9 | H16 | 108.9° | 108.9° |
| C4 | C9 | H15 | 108.9° | 108.9° |
| C9 | C10 | C11 | 110.3° | 110.3° |
| C9 | C10 | O5 | 109.6° | 109.6° |
| C9 | C10 | H17 | 110.2° | 110.3° |
| C10 | C9 | H16 | 108.9° | 108.9° |
| C10 | C9 | H15 | 108.9° | 108.9° |
| C10 | C11 | C12 | 110.5° | 110.5° |
| C11 | C10 | O5 | 105.4° | 105.4° |
| C11 | C10 | H17 | 110.2° | 110.2° |
| C10 | C11 | H19 | 109.2° | 109.2° |
| C10 | C11 | H18 | 109.2° | 109.2° |
| C11 | C12 | C13 | 111.8° | 111.8° |
| C11 | C12 | O7 | 109.9° | 109.9° |
| C12 | C11 | H19 | 109.2° | 109.2° |
| C12 | C11 | H18 | 109.2° | 109.2° |
| C11 | C12 | H20 | 109.5° | 109.5° |
| C12 | C13 | C14 | 114.0° | 114.0° |
| C13 | C12 | O7 | 105.4° | 105.4° |
| C13 | C12 | H20 | 109.6° | 109.6° |
| C12 | C13 | H21 | 108.3° | 108.3° |
| C12 | C13 | H22 | 108.3° | 108.3° |
| C13 | C14 | C15 | 127.8° | 127.8° |
| C14 | C13 | H21 | 108.3° | 108.3° |
| C14 | C13 | H22 | 108.3° | 108.3° |
| C13 | C14 | H23 | 116.1° | 116.1° |
| C14 | C15 | C16 | 123.7° | 123.7° |
| C14 | C15 | C17 | 120.5° | 120.5° |
| C15 | C14 | H23 | 116.1° | 116.1° |
| C16 | C15 | C17 | 115.9° | 115.9° |
| C15 | C16 | H24 | 109.5° | 109.5° |
| C15 | C16 | H25 | 109.5° | 109.5° |
| C15 | C16 | H26 | 109.5° | 109.5° |
| C15 | C17 | C18 | 116.8° | 116.8° |
| C15 | C17 | H27 | 107.6° | 107.6° |
| C15 | C17 | H28 | 107.6° | 107.6° |
| C17 | C18 | C19 | 110.4° | 110.4° |
| C17 | C18 | C20 | 110.4° | 110.4° |
| C18 | C17 | H27 | 107.6° | 107.6° |
| C18 | C17 | H28 | 107.6° | 107.6° |
| C17 | C18 | H29 | 108.6° | 108.6° |
| C19 | C18 | C20 | 110.0° | 110.0° |
| C19 | C18 | H29 | 108.6° | 108.6° |
| C18 | C19 | H30 | 109.5° | 109.5° |
| C18 | C19 | H32 | 109.5° | 109.5° |
| C18 | C19 | H31 | 109.5° | 109.5° |
| C18 | C20 | C21 | 127.9° | 127.9° |
| C20 | C18 | H29 | 108.8° | 108.8° |
| C18 | C20 | H33 | 116.0° | 116.0° |
| C20 | C21 | C22 | 122.7° | 122.7° |
| C21 | C20 | H33 | 116.0° | 116.0° |
| C20 | C21 | H34 | 118.7° | 118.7° |
| C21 | C22 | C23 | 125.6° | 125.6° |
| C22 | C21 | H34 | 118.6° | 118.6° |
| C21 | C22 | H35 | 117.2° | 117.2° |
| C22 | C23 | C24 | 125.3° | 125.3° |
| C22 | C23 | C32 | 127.1° | 127.1° |
| C23 | C22 | H35 | 117.2° | 117.2° |
| C23 | C24 | O2 | 103.3° | 103.3° |
| C24 | C23 | C32 | 107.6° | 107.6° |
| C23 | C24 | H36 | 111.0° | 111.0° |
| C23 | C24 | H37 | 111.0° | 111.0° |
| C24 | O2 | C25 | 103.2° | 103.2° |
| O2 | C24 | H36 | 111.0° | 111.0° |
| O2 | C24 | H37 | 111.0° | 111.0° |
| O2 | C25 | C26 | 110.3° | 110.3° |
| O2 | C25 | C32 | 102.6° | 102.6° |
| O2 | C25 | H38 | 111.0° | 111.0° |
| C25 | C26 | N1 | 118.9° | 118.9° |
| C25 | C26 | C27 | 122.0° | 122.0° |
| C26 | C25 | C32 | 113.7° | 113.7° |
| C26 | C25 | H38 | 109.8° | 109.8° |
| C26 | N1 | O3 | 111.9° | 111.9° |
| N1 | C26 | C27 | 119.1° | 119.1° |
| N1 | O3 | H39 | 109.5° | 109.5° |
| C26 | C27 | C28 | 121.9° | 121.9° |
| C26 | C27 | C29 | 117.3° | 117.3° |
| C28 | C27 | C29 | 120.7° | 120.7° |
| C27 | C28 | H42 | 109.5° | 109.5° |
| C27 | C28 | H41 | 109.5° | 109.5° |
| C27 | C28 | H40 | 109.5° | 109.5° |
| C27 | C29 | C30 | 123.2° | 123.2° |
| C27 | C29 | H43 | 118.4° | 118.4° |
| C29 | C30 | C31 | 109.7° | 109.7° |
| C29 | C30 | C32 | 107.7° | 107.7° |
| C30 | C29 | H43 | 118.4° | 118.4° |
| C29 | C30 | H44 | 108.8° | 108.8° |
| C30 | C31 | O4 | 124.8° | 124.8° |
| C30 | C31 | O5 | 111.0° | 111.0° |
| C31 | C30 | C32 | 113.6° | 113.6° |
| C31 | C30 | H44 | 108.6° | 108.6° |
| O4 | C31 | O5 | 124.2° | 124.2° |
| C31 | O5 | C10 | 119.1° | 119.1° |
| C30 | C32 | O6 | 109.1° | 109.1° |
| C30 | C32 | C23 | 112.9° | 112.9° |
| C30 | C32 | C25 | 112.7° | 112.7° |
| C32 | C30 | H44 | 108.3° | 108.3° |
| O6 | C32 | C23 | 113.9° | 113.9° |
| O6 | C32 | C25 | 109.9° | 109.9° |
| C32 | O6 | H45 | 109.5° | 109.5° |
| C12 | O7 | C4 | 115.3° | 115.3° |
| O7 | C12 | H20 | 110.6° | 110.6° |
| C7 | C3 | H6 | 108.0° | 108.0° |
| C3 | C7 | H11 | 108.1° | 108.1° |
| O5 | C10 | H17 | 110.9° | 110.9° |
| C23 | C32 | C25 | 98.0° | 98.0° |
| C32 | C25 | H38 | 109.2° | 109.2° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H5 | C2 | H4 | 109.4° | 109.4° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H19 | C11 | H18 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.4° | 109.4° |
| H24 | C16 | H26 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| H27 | C17 | H28 | 109.5° | 109.5° |
| H30 | C19 | H32 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| H32 | C19 | H31 | 109.5° | 109.5° |
| H36 | C24 | H37 | 109.4° | 109.5° |
| H42 | C28 | H41 | 109.5° | 109.5° |
| H42 | C28 | H40 | 109.5° | 109.5° |
| H41 | C28 | H40 | 109.5° | 109.5° |
| H14 | C8 | H12 | 109.5° | 109.5° |
| H14 | C8 | H13 | 109.4° | 109.4° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H16 | C9 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H5 | 120.7° | 120.7° |
| C1 | C2 | C3 | H4 | 120.7° | 120.7° |
| C1 | C2 | C3 | O1 | 61.4° | 61.4° |
| C1 | C2 | C3 | C7 | 61.6° | 61.6° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C1 | C2 | H5 | H4 | 117.9° | 117.9° |
| C1 | C2 | C3 | H6 | 178.5° | 178.5° |
| C2 | C3 | O1 | C7 | 124.6° | 124.6° |
| C2 | C3 | O1 | H6 | 116.5° | 116.5° |
| C2 | C3 | O1 | C4 | 175.4° | 175.4° |
| C2 | C3 | C7 | C6 | 175.1° | 175.1° |
| C2 | C3 | C7 | C8 | 61.2° | 61.2° |
| C2 | C3 | C7 | H6 | 120.0° | 120.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | H5 | H4 | 117.9° | 117.9° |
| C2 | C3 | C7 | H11 | 58.0° | 58.0° |
| C3 | O1 | C4 | C5 | 59.2° | 59.2° |
| O1 | C3 | C7 | C6 | 54.7° | 54.7° |
| O1 | C3 | C7 | C8 | 178.4° | 178.4° |
| C3 | O1 | C4 | C9 | 177.5° | 177.5° |
| O1 | C3 | C7 | H6 | 119.6° | 119.6° |
| C3 | O1 | C4 | O7 | 57.5° | 57.5° |
| O1 | C3 | C2 | H5 | 177.9° | 177.9° |
| O1 | C3 | C2 | H4 | 59.3° | 59.3° |
| O1 | C3 | C7 | H11 | 62.5° | 62.5° |
| O1 | C4 | C5 | C9 | 121.5° | 121.5° |
| O1 | C4 | C5 | O7 | 117.6° | 117.6° |
| O1 | C4 | C5 | C6 | 55.1° | 55.1° |
| O1 | C4 | C9 | O7 | 119.1° | 119.1° |
| O1 | C4 | C9 | C10 | 66.1° | 66.1° |
| O1 | C4 | O7 | C12 | 62.8° | 62.8° |
| C4 | O1 | C3 | C7 | 60.0° | 60.0° |
| O1 | C4 | C5 | H7 | 175.3° | 175.3° |
| O1 | C4 | C5 | H8 | 65.1° | 65.1° |
| C4 | O1 | C3 | H6 | 58.9° | 58.9° |
| O1 | C4 | C9 | H16 | 54.2° | 54.2° |
| O1 | C4 | C9 | H15 | 173.6° | 173.6° |
| C4 | C5 | C6 | H7 | 120.2° | 120.2° |
| C4 | C5 | C6 | H8 | 120.2° | 120.2° |
| C4 | C5 | C6 | C7 | 54.3° | 54.3° |
| C5 | C4 | C9 | O7 | 119.1° | 119.1° |
| C5 | C4 | C9 | C10 | 172.2° | 172.2° |
| C5 | C4 | O7 | C12 | 179.0° | 179.0° |
| C4 | C5 | H7 | H8 | 119.4° | 119.4° |
| C4 | C5 | C6 | H9 | 66.0° | 66.0° |
| C4 | C5 | C6 | H10 | 174.6° | 174.6° |
| C5 | C4 | C9 | H16 | 67.5° | 67.5° |
| C5 | C4 | C9 | H15 | 51.9° | 51.9° |
| C5 | C6 | C7 | H9 | 120.3° | 120.3° |
| C5 | C6 | C7 | H10 | 120.3° | 120.3° |
| C5 | C6 | C7 | C8 | 177.3° | 177.3° |
| C6 | C5 | C4 | C9 | 176.6° | 176.6° |
| C5 | C6 | C7 | C3 | 53.1° | 53.1° |
| C6 | C5 | C4 | O7 | 62.5° | 62.5° |
| C6 | C5 | H7 | H8 | 119.4° | 119.4° |
| C5 | C6 | H9 | H10 | 119.2° | 119.2° |
| C5 | C6 | C7 | H11 | 64.0° | 64.0° |
| C6 | C7 | C8 | C3 | 122.1° | 122.1° |
| C6 | C7 | C8 | H11 | 118.7° | 118.7° |
| C6 | C7 | C3 | H11 | 117.1° | 117.1° |
| C7 | C6 | C5 | H7 | 174.5° | 174.5° |
| C7 | C6 | C5 | H8 | 65.9° | 65.9° |
| C7 | C6 | H9 | H10 | 119.1° | 119.1° |
| C6 | C7 | C3 | H6 | 64.9° | 64.9° |
| C6 | C7 | C8 | H14 | 180.0° | 180.0° |
| C6 | C7 | C8 | H12 | 60.0° | 60.0° |
| C6 | C7 | C8 | H13 | 60.0° | 60.0° |
| C8 | C7 | C3 | H11 | 119.1° | 119.1° |
| C8 | C7 | C6 | H9 | 57.1° | 57.1° |
| C8 | C7 | C6 | H10 | 62.3° | 62.3° |
| C8 | C7 | C3 | H6 | 58.8° | 58.8° |
| C7 | C8 | H14 | H12 | 120.0° | 120.0° |
| C7 | C8 | H14 | H13 | 120.0° | 120.0° |
| C7 | C8 | H12 | H13 | 120.0° | 120.0° |
| C4 | C9 | C10 | H16 | 120.3° | 120.3° |
| C4 | C9 | C10 | H15 | 120.3° | 120.3° |
| C4 | C9 | C10 | C11 | 53.2° | 53.2° |
| C9 | C4 | O7 | C12 | 56.8° | 56.8° |
| C4 | C9 | C10 | O5 | 168.9° | 168.9° |
| C9 | C4 | C5 | H7 | 63.2° | 63.2° |
| C9 | C4 | C5 | H8 | 56.4° | 56.4° |
| C4 | C9 | C10 | H17 | 68.8° | 68.8° |
| C4 | C9 | H16 | H15 | 119.0° | 119.0° |
| C9 | C10 | C11 | O5 | 118.3° | 118.3° |
| C9 | C10 | C11 | H17 | 122.0° | 122.0° |
| C9 | C10 | C11 | C12 | 54.3° | 54.3° |
| C9 | C10 | O5 | C31 | 59.1° | 59.1° |
| C9 | C10 | O5 | H17 | 122.0° | 122.0° |
| C10 | C9 | C4 | O7 | 53.1° | 53.1° |
| C9 | C10 | C11 | H19 | 174.4° | 174.4° |
| C9 | C10 | C11 | H18 | 65.9° | 65.9° |
| C10 | C9 | H16 | H15 | 119.0° | 119.0° |
| C10 | C11 | C12 | H19 | 120.1° | 120.1° |
| C10 | C11 | C12 | H18 | 120.1° | 120.1° |
| C10 | C11 | C12 | C13 | 172.1° | 172.1° |
| C11 | C10 | O5 | C31 | 177.9° | 177.9° |
| C10 | C11 | C12 | O7 | 55.5° | 55.5° |
| C11 | C10 | O5 | H17 | 119.3° | 119.2° |
| C10 | C11 | H19 | H18 | 119.5° | 119.5° |
| C10 | C11 | C12 | H20 | 66.3° | 66.3° |
| C11 | C10 | C9 | H16 | 173.5° | 173.5° |
| C11 | C10 | C9 | H15 | 67.2° | 67.2° |
| C11 | C12 | C13 | O7 | 119.4° | 119.4° |
| C11 | C12 | C13 | H20 | 121.6° | 121.6° |
| C11 | C12 | C13 | C14 | 27.9° | 27.9° |
| C11 | C12 | O7 | H20 | 121.1° | 121.1° |
| C12 | C11 | C10 | O5 | 172.5° | 172.5° |
| C11 | C12 | O7 | C4 | 58.4° | 58.4° |
| C12 | C11 | C10 | H17 | 67.7° | 67.7° |
| C12 | C11 | H19 | H18 | 119.6° | 119.6° |
| C11 | C12 | C13 | H21 | 92.8° | 92.8° |
| C11 | C12 | C13 | H22 | 148.6° | 148.6° |
| C12 | C13 | C14 | H21 | 120.7° | 120.7° |
| C12 | C13 | C14 | H22 | 120.7° | 120.7° |
| C12 | C13 | C14 | C15 | 67.2° | 67.2° |
| C13 | C12 | O7 | H20 | 118.3° | 118.3° |
| C13 | C12 | O7 | C4 | 179.0° | 179.0° |
| C13 | C12 | C11 | H19 | 67.7° | 67.7° |
| C13 | C12 | C11 | H18 | 52.0° | 52.0° |
| C12 | C13 | H21 | H22 | 117.9° | 117.9° |
| C12 | C13 | C14 | H23 | 112.8° | 112.8° |
| C13 | C14 | C15 | H23 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 2.2° | 2.2° |
| C13 | C14 | C15 | C17 | 176.7° | 176.7° |
| C14 | C13 | C12 | O7 | 147.3° | 147.3° |
| C14 | C13 | C12 | H20 | 93.7° | 93.7° |
| C14 | C13 | H21 | H22 | 117.9° | 117.9° |
| C14 | C15 | C16 | C17 | 178.9° | 178.9° |
| C14 | C15 | C17 | C18 | 127.1° | 127.1° |
| C15 | C14 | C13 | H21 | 172.2° | 172.2° |
| C15 | C14 | C13 | H22 | 53.5° | 53.5° |
| C14 | C15 | C16 | H24 | 180.0° | 180.0° |
| C14 | C15 | C16 | H25 | 60.0° | 60.0° |
| C14 | C15 | C16 | H26 | 60.0° | 60.0° |
| C14 | C15 | C17 | H27 | 6.0° | 6.0° |
| C14 | C15 | C17 | H28 | 111.9° | 111.9° |
| C16 | C15 | C17 | C18 | 51.9° | 51.9° |
| C16 | C15 | C14 | H23 | 177.8° | 177.8° |
| C15 | C16 | H24 | H25 | 120.0° | 120.0° |
| C15 | C16 | H24 | H26 | 120.0° | 120.0° |
| C15 | C16 | H25 | H26 | 120.0° | 120.0° |
| C16 | C15 | C17 | H27 | 172.9° | 172.9° |
| C16 | C15 | C17 | H28 | 69.2° | 69.2° |
| C15 | C17 | C18 | H27 | 121.0° | 121.0° |
| C15 | C17 | C18 | H28 | 121.1° | 121.1° |
| C15 | C17 | C18 | C19 | 84.3° | 84.3° |
| C15 | C17 | C18 | C20 | 37.6° | 37.6° |
| C17 | C15 | C14 | H23 | 3.3° | 3.3° |
| C17 | C15 | C16 | H24 | 1.1° | 1.1° |
| C17 | C15 | C16 | H25 | 121.1° | 121.1° |
| C17 | C15 | C16 | H26 | 118.9° | 118.9° |
| C15 | C17 | H27 | H28 | 116.7° | 116.7° |
| C15 | C17 | C18 | H29 | 156.7° | 156.7° |
| C17 | C18 | C19 | C20 | 122.1° | 122.1° |
| C17 | C18 | C19 | H29 | 118.9° | 118.9° |
| C17 | C18 | C20 | H29 | 119.0° | 119.0° |
| C17 | C18 | C20 | C21 | 112.9° | 112.9° |
| C18 | C17 | H27 | H28 | 116.7° | 116.7° |
| C17 | C18 | C19 | H30 | 180.0° | 180.0° |
| C17 | C18 | C19 | H32 | 60.0° | 60.0° |
| C17 | C18 | C19 | H31 | 60.0° | 60.0° |
| C17 | C18 | C20 | H33 | 67.1° | 67.1° |
| C19 | C18 | C20 | H29 | 118.8° | 118.8° |
| C19 | C18 | C20 | C21 | 125.0° | 125.0° |
| C19 | C18 | C17 | H27 | 154.7° | 154.7° |
| C19 | C18 | C17 | H28 | 36.7° | 36.7° |
| C18 | C19 | H30 | H32 | 120.0° | 120.0° |
| C18 | C19 | H30 | H31 | 120.0° | 120.0° |
| C18 | C19 | H32 | H31 | 120.0° | 120.0° |
| C19 | C18 | C20 | H33 | 55.0° | 55.0° |
| C18 | C20 | C21 | H33 | 180.0° | 180.0° |
| C18 | C20 | C21 | C22 | 179.2° | 179.2° |
| C20 | C18 | C17 | H27 | 83.5° | 83.5° |
| C20 | C18 | C17 | H28 | 158.6° | 158.6° |
| C20 | C18 | C19 | H30 | 57.9° | 57.9° |
| C20 | C18 | C19 | H32 | 177.9° | 177.9° |
| C20 | C18 | C19 | H31 | 62.2° | 62.2° |
| C18 | C20 | C21 | H34 | 0.7° | 0.7° |
| C20 | C21 | C22 | H34 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 177.7° | 177.7° |
| C21 | C20 | C18 | H29 | 6.2° | 6.2° |
| C20 | C21 | C22 | H35 | 2.3° | 2.2° |
| C21 | C22 | C23 | H35 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.7° | 0.7° |
| C21 | C22 | C23 | C32 | 179.2° | 179.2° |
| C22 | C21 | C20 | H33 | 0.8° | 0.8° |
| C22 | C23 | C24 | C32 | 179.9° | 179.9° |
| C22 | C23 | C24 | O2 | 167.5° | 167.5° |
| C22 | C23 | C32 | C30 | 77.9° | 77.9° |
| C22 | C23 | C32 | O6 | 47.2° | 47.2° |
| C22 | C23 | C32 | C25 | 163.2° | 163.2° |
| C23 | C22 | C21 | H34 | 2.3° | 2.3° |
| C22 | C23 | C24 | H36 | 48.5° | 48.5° |
| C22 | C23 | C24 | H37 | 73.5° | 73.5° |
| C23 | C24 | O2 | H36 | 119.0° | 119.0° |
| C23 | C24 | O2 | H37 | 119.0° | 119.0° |
| C23 | C24 | O2 | C25 | 39.8° | 39.8° |
| C24 | C23 | C32 | C30 | 102.2° | 102.2° |
| C24 | C23 | C32 | O6 | 132.6° | 132.6° |
| C24 | C23 | C32 | C25 | 16.6° | 16.6° |
| C24 | C23 | C22 | H35 | 179.4° | 179.3° |
| C23 | C24 | H36 | H37 | 122.9° | 122.9° |
| C24 | O2 | C25 | C26 | 173.5° | 173.5° |
| O2 | C24 | C23 | C32 | 12.7° | 12.7° |
| C24 | O2 | C25 | C32 | 52.0° | 52.0° |
| O2 | C24 | H36 | H37 | 122.9° | 122.9° |
| C24 | O2 | C25 | H38 | 64.6° | 64.6° |
| O2 | C25 | C26 | C32 | 114.6° | 114.6° |
| O2 | C25 | C26 | H38 | 122.6° | 122.6° |
| O2 | C25 | C26 | N1 | 76.1° | 76.1° |
| O2 | C25 | C26 | C27 | 106.5° | 106.5° |
| O2 | C25 | C32 | C30 | 78.1° | 78.1° |
| O2 | C25 | C32 | O6 | 160.0° | 160.0° |
| O2 | C25 | C32 | C23 | 40.9° | 40.9° |
| O2 | C25 | C32 | H38 | 117.8° | 117.8° |
| C25 | O2 | C24 | H36 | 158.8° | 158.8° |
| C25 | O2 | C24 | H37 | 79.3° | 79.2° |
| C25 | C26 | N1 | C27 | 177.5° | 177.5° |
| C25 | C26 | N1 | O3 | 0.1° | 0.1° |
| C25 | C26 | C27 | C28 | 170.8° | 170.8° |
| C25 | C26 | C27 | C29 | 8.7° | 8.7° |
| C26 | C25 | C32 | C30 | 41.0° | 41.0° |
| C26 | C25 | C32 | O6 | 80.9° | 80.9° |
| C26 | C25 | C32 | C23 | 160.0° | 160.0° |
| C26 | C25 | C32 | H38 | 123.0° | 123.0° |
| N1 | C26 | C27 | C28 | 6.6° | 6.6° |
| N1 | C26 | C27 | C29 | 173.9° | 173.9° |
| N1 | C26 | C25 | C32 | 169.3° | 169.3° |
| N1 | C26 | C25 | H38 | 46.6° | 46.6° |
| C26 | N1 | O3 | H39 | 180.0° | 180.0° |
| O3 | N1 | C26 | C27 | 177.4° | 177.4° |
| C26 | C27 | C28 | C29 | 179.5° | 179.5° |
| C26 | C27 | C29 | C30 | 9.4° | 9.4° |
| C27 | C26 | C25 | C32 | 8.1° | 8.1° |
| C27 | C26 | C25 | H38 | 130.8° | 130.8° |
| C26 | C27 | C28 | H42 | 180.0° | 180.0° |
| C26 | C27 | C28 | H41 | 60.0° | 60.0° |
| C26 | C27 | C28 | H40 | 60.0° | 60.0° |
| C26 | C27 | C29 | H43 | 170.6° | 170.6° |
| C28 | C27 | C29 | C30 | 171.0° | 171.0° |
| C27 | C28 | H42 | H41 | 120.0° | 120.0° |
| C27 | C28 | H42 | H40 | 120.0° | 120.0° |
| C27 | C28 | H41 | H40 | 120.0° | 120.0° |
| C28 | C27 | C29 | H43 | 9.0° | 9.0° |
| C27 | C29 | C30 | H43 | 180.0° | 180.0° |
| C27 | C29 | C30 | C31 | 165.0° | 165.0° |
| C27 | C29 | C30 | C32 | 40.9° | 40.9° |
| C29 | C27 | C28 | H42 | 0.5° | 0.5° |
| C29 | C27 | C28 | H41 | 120.5° | 120.5° |
| C29 | C27 | C28 | H40 | 119.5° | 119.5° |
| C27 | C29 | C30 | H44 | 76.2° | 76.2° |
| C29 | C30 | C31 | C32 | 120.6° | 120.6° |
| C29 | C30 | C31 | H44 | 118.9° | 118.9° |
| C29 | C30 | C31 | O4 | 10.5° | 10.5° |
| C29 | C30 | C31 | O5 | 167.4° | 167.4° |
| C29 | C30 | C32 | H44 | 117.6° | 117.6° |
| C29 | C30 | C32 | O6 | 67.1° | 67.1° |
| C29 | C30 | C32 | C23 | 165.2° | 165.2° |
| C29 | C30 | C32 | C25 | 55.3° | 55.3° |
| C30 | C31 | O4 | O5 | 177.7° | 177.7° |
| C31 | C30 | C32 | H44 | 120.8° | 120.8° |
| C31 | C30 | C32 | O6 | 54.6° | 54.6° |
| C30 | C31 | O5 | C10 | 176.6° | 176.6° |
| C31 | C30 | C32 | C23 | 73.2° | 73.2° |
| C31 | C30 | C32 | C25 | 177.0° | 177.0° |
| C31 | C30 | C29 | H43 | 15.0° | 15.0° |
| O4 | C31 | C30 | C32 | 110.1° | 110.1° |
| O4 | C31 | O5 | C10 | 1.3° | 1.3° |
| O4 | C31 | C30 | H44 | 129.4° | 129.4° |
| O5 | C31 | C30 | C32 | 72.0° | 72.0° |
| C31 | O5 | C10 | H17 | 62.9° | 62.9° |
| O5 | C31 | C30 | H44 | 48.5° | 48.5° |
| C30 | C32 | O6 | C23 | 127.2° | 127.2° |
| C30 | C32 | O6 | C25 | 124.0° | 124.0° |
| C30 | C32 | C23 | C25 | 118.8° | 118.8° |
| C30 | C32 | C25 | H38 | 164.1° | 164.1° |
| C32 | C30 | C29 | H43 | 139.0° | 139.1° |
| C30 | C32 | O6 | H45 | 180.0° | 180.0° |
| O6 | C32 | C23 | C25 | 116.0° | 116.0° |
| O6 | C32 | C25 | H38 | 42.2° | 42.2° |
| O6 | C32 | C30 | H44 | 175.4° | 175.4° |
| O7 | C12 | C11 | H19 | 175.6° | 175.6° |
| O7 | C12 | C11 | H18 | 64.7° | 64.7° |
| O7 | C12 | C13 | H21 | 26.6° | 26.6° |
| O7 | C12 | C13 | H22 | 92.1° | 92.1° |
| C7 | C3 | C2 | H5 | 59.1° | 59.1° |
| C7 | C3 | C2 | H4 | 177.8° | 177.8° |
| C3 | C7 | C6 | H9 | 67.2° | 67.2° |
| C3 | C7 | C6 | H10 | 173.4° | 173.4° |
| C3 | C7 | C8 | H14 | 57.9° | 57.9° |
| C3 | C7 | C8 | H12 | 62.1° | 62.1° |
| C3 | C7 | C8 | H13 | 177.9° | 177.9° |
| O5 | C10 | C11 | H19 | 67.3° | 67.3° |
| O5 | C10 | C11 | H18 | 52.4° | 52.4° |
| O5 | C10 | C9 | H16 | 70.8° | 70.8° |
| O5 | C10 | C9 | H15 | 48.5° | 48.5° |
| O7 | C4 | C5 | H7 | 57.7° | 57.7° |
| O7 | C4 | C5 | H8 | 177.3° | 177.3° |
| C4 | O7 | C12 | H20 | 62.7° | 62.7° |
| O7 | C4 | C9 | H16 | 173.4° | 173.4° |
| O7 | C4 | C9 | H15 | 67.3° | 67.3° |
| C32 | C23 | C22 | H35 | 0.8° | 0.9° |
| C32 | C23 | C24 | H36 | 131.7° | 131.7° |
| C32 | C23 | C24 | H37 | 106.4° | 106.3° |
| C23 | C32 | C25 | H38 | 76.9° | 76.9° |
| C23 | C32 | C30 | H44 | 47.6° | 47.6° |
| C23 | C32 | O6 | H45 | 52.8° | 52.8° |
| C25 | C32 | C30 | H44 | 62.3° | 62.3° |
| C25 | C32 | O6 | H45 | 56.0° | 56.0° |
| H1 | C1 | H3 | H2 | 120.0° | 120.0° |
| H1 | C1 | C2 | H5 | 59.3° | 59.3° |
| H1 | C1 | C2 | H4 | 59.4° | 59.4° |
| H3 | C1 | C2 | H5 | 60.7° | 60.7° |
| H3 | C1 | C2 | H4 | 179.3° | 179.3° |
| H2 | C1 | C2 | H5 | 179.3° | 179.3° |
| H2 | C1 | C2 | H4 | 60.7° | 60.7° |
| H5 | C2 | C3 | H6 | 60.8° | 60.8° |
| H4 | C2 | C3 | H6 | 57.8° | 57.8° |
| H7 | C5 | C6 | H9 | 54.2° | 54.2° |
| H7 | C5 | C6 | H10 | 65.2° | 65.2° |
| H8 | C5 | C6 | H9 | 173.8° | 173.8° |
| H8 | C5 | C6 | H10 | 54.4° | 54.4° |
| H9 | C6 | C7 | H11 | 175.8° | 175.8° |
| H10 | C6 | C7 | H11 | 56.3° | 56.3° |
| H17 | C10 | C11 | H19 | 52.4° | 52.4° |
| H17 | C10 | C11 | H18 | 172.1° | 172.1° |
| H17 | C10 | C9 | H16 | 51.5° | 51.5° |
| H17 | C10 | C9 | H15 | 170.9° | 170.9° |
| H19 | C11 | C12 | H20 | 53.9° | 53.9° |
| H18 | C11 | C12 | H20 | 173.6° | 173.6° |
| H20 | C12 | C13 | H21 | 145.6° | 145.6° |
| H20 | C12 | C13 | H22 | 27.0° | 27.0° |
| H21 | C13 | C14 | H23 | 7.8° | 7.8° |
| H22 | C13 | C14 | H23 | 126.5° | 126.5° |
| H24 | C16 | H25 | H26 | 120.0° | 120.0° |
| H27 | C17 | C18 | H29 | 35.7° | 35.7° |
| H28 | C17 | C18 | H29 | 82.2° | 82.2° |
| H29 | C18 | C19 | H30 | 61.0° | 61.0° |
| H29 | C18 | C19 | H32 | 58.9° | 58.9° |
| H29 | C18 | C19 | H31 | 178.9° | 178.9° |
| H29 | C18 | C20 | H33 | 173.9° | 173.9° |
| H30 | C19 | H32 | H31 | 120.0° | 120.0° |
| H33 | C20 | C21 | H34 | 179.2° | 179.2° |
| H34 | C21 | C22 | H35 | 177.7° | 177.8° |
| H42 | C28 | H41 | H40 | 120.0° | 120.0° |
| H43 | C29 | C30 | H44 | 103.8° | 103.7° |
| H6 | C3 | C7 | H11 | 177.9° | 177.9° |
| H11 | C7 | C8 | H14 | 61.3° | 61.3° |
| H11 | C7 | C8 | H12 | 178.8° | 178.8° |
| H11 | C7 | C8 | H13 | 58.7° | 58.7° |
| H14 | C8 | H12 | H13 | 120.0° | 120.0° |
