LTC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C7 | sing | 1.53Å | 1.53Å | |
| O1 | C5 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O4 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.43Å | 1.44Å | |
| O2 | C45 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| O3 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | O11 | sing | 1.43Å | 1.43Å | |
| O5 | C7 | sing | 1.43Å | 1.43Å | |
| O9 | C25 | doub | 1.21Å | 1.23Å | |
| O10 | C25 | sing | 1.34Å | 1.36Å | |
| O10 | C26 | sing | 1.45Å | 1.44Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| O11 | C27 | sing | 1.43Å | 1.44Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| O12 | C28 | sing | 1.45Å | 1.43Å | |
| O12 | C29 | sing | 1.34Å | 1.37Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| O13 | C29 | doub | 1.21Å | 1.21Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C18 | C19 | doub | 1.31Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C28 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.51Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C41 | O41 | sing | 1.43Å | 1.44Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | C47 | sing | 1.53Å | 1.53Å | |
| O41 | C45 | sing | 1.43Å | 1.43Å | |
| C42 | N42 | sing | 1.47Å | 1.47Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| O42 | C43 | sing | 1.43Å | 1.43Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C44 | N44 | sing | 1.46Å | 1.47Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| N44 | C48 | sing | 1.35Å | 1.33Å | |
| C48 | O48 | doub | 1.21Å | 1.24Å | |
| C48 | C49 | sing | 1.51Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| N42 | HN42 | sing | 1.01Å | 1.00Å | |
| N42 | HN4A | sing | 1.01Å | 1.00Å | |
| O42 | HO42 | sing | 0.97Å | 0.95Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| N44 | HN44 | sing | 0.97Å | 1.00Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C47 | H47B | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C49 | H49B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 108.8° | 109.4° |
| O1 | C1 | C7 | 110.6° | 109.5° |
| C1 | O1 | C5 | 108.8° | 114.1° |
| O1 | C1 | H1 | 109.6° | 109.5° |
| C2 | C1 | C7 | 110.6° | 109.5° |
| C1 | C2 | C3 | 109.7° | 109.2° |
| C1 | C2 | O4 | 109.2° | 109.6° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C7 | O5 | 109.0° | 109.5° |
| C7 | C1 | H1 | 107.7° | 109.4° |
| C1 | C7 | H7 | 109.6° | 109.5° |
| C1 | C7 | H7A | 109.7° | 109.5° |
| O1 | C5 | C4 | 110.1° | 109.4° |
| O1 | C5 | O11 | 106.6° | 109.5° |
| O1 | C5 | H5 | 111.3° | 109.5° |
| C3 | C2 | O4 | 109.5° | 109.5° |
| C2 | C3 | O2 | 109.4° | 109.5° |
| C2 | C3 | C4 | 110.7° | 109.0° |
| C3 | C2 | H2 | 109.2° | 109.5° |
| C2 | C3 | H3 | 108.9° | 109.6° |
| O4 | C2 | H2 | 109.7° | 109.5° |
| C2 | O4 | HO4 | 109.5° | 114.0° |
| C3 | O2 | C45 | 111.4° | 114.0° |
| O2 | C3 | C4 | 110.1° | 109.5° |
| O2 | C3 | H3 | 109.5° | 109.5° |
| O2 | C45 | O41 | 109.1° | 109.5° |
| O2 | C45 | C44 | 109.4° | 109.5° |
| O2 | C45 | H45 | 109.9° | 109.5° |
| C3 | C4 | O3 | 109.9° | 109.5° |
| C3 | C4 | C5 | 110.9° | 109.2° |
| C4 | C3 | H3 | 108.2° | 109.7° |
| C3 | C4 | H4 | 108.3° | 109.5° |
| O3 | C4 | C5 | 109.7° | 109.6° |
| C4 | O3 | HO3 | 109.5° | 114.0° |
| O3 | C4 | H4 | 109.5° | 109.5° |
| C4 | C5 | O11 | 110.5° | 109.5° |
| C5 | C4 | H4 | 108.5° | 109.6° |
| C4 | C5 | H5 | 107.4° | 109.4° |
| C5 | O11 | C27 | 110.7° | 114.0° |
| O11 | C5 | H5 | 110.9° | 109.5° |
| C7 | O5 | HO5 | 109.5° | 114.0° |
| O5 | C7 | H7 | 109.6° | 109.5° |
| O5 | C7 | H7A | 109.6° | 109.5° |
| O9 | C25 | O10 | 119.3° | 120.0° |
| O9 | C25 | C24 | 120.6° | 120.0° |
| C25 | O10 | C26 | 109.7° | 117.0° |
| O10 | C25 | C24 | 120.0° | 120.0° |
| O10 | C26 | C27 | 108.5° | 109.4° |
| O10 | C26 | C28 | 108.4° | 109.5° |
| O10 | C26 | H26 | 110.7° | 109.5° |
| C11 | C12 | C13 | 111.0° | 109.5° |
| C12 | C11 | H11 | 109.5° | 109.4° |
| C12 | C11 | H11A | 109.4° | 109.5° |
| C12 | C11 | H11B | 109.5° | 109.4° |
| C11 | C12 | H12 | 109.0° | 109.4° |
| C11 | C12 | H12A | 109.0° | 109.4° |
| O11 | C27 | C26 | 111.1° | 109.5° |
| O11 | C27 | H27 | 108.9° | 109.5° |
| O11 | C27 | H27A | 108.9° | 109.4° |
| C12 | C13 | C14 | 112.0° | 109.5° |
| C13 | C12 | H12 | 109.0° | 109.5° |
| C13 | C12 | H12A | 109.0° | 109.5° |
| C12 | C13 | H13 | 108.6° | 109.4° |
| C12 | C13 | H13A | 108.6° | 109.5° |
| C28 | O12 | C29 | 110.6° | 117.0° |
| O12 | C28 | C26 | 111.4° | 109.5° |
| O12 | C28 | H28 | 108.9° | 109.5° |
| O12 | C28 | H28A | 108.8° | 109.5° |
| O12 | C29 | O13 | 120.1° | 120.0° |
| O12 | C29 | C30 | 119.4° | 120.0° |
| C13 | C14 | C15 | 110.1° | 109.5° |
| C14 | C13 | H13 | 108.7° | 109.4° |
| C14 | C13 | H13A | 108.7° | 109.5° |
| C13 | C14 | H14 | 109.3° | 109.4° |
| C13 | C14 | H14A | 109.3° | 109.5° |
| O13 | C29 | C30 | 120.5° | 120.0° |
| C14 | C15 | C16 | 112.4° | 109.5° |
| C15 | C14 | H14 | 109.3° | 109.5° |
| C15 | C14 | H14A | 109.2° | 109.5° |
| C14 | C15 | H15 | 108.5° | 109.5° |
| C14 | C15 | H15A | 108.5° | 109.5° |
| C15 | C16 | C17 | 109.9° | 109.5° |
| C16 | C15 | H15 | 108.5° | 109.5° |
| C16 | C15 | H15A | 108.5° | 109.5° |
| C15 | C16 | H16 | 109.4° | 109.5° |
| C15 | C16 | H16A | 109.4° | 109.4° |
| C16 | C17 | C18 | 112.0° | 109.5° |
| C17 | C16 | H16 | 109.3° | 109.5° |
| C17 | C16 | H16A | 109.3° | 109.5° |
| C16 | C17 | H17 | 108.6° | 109.5° |
| C16 | C17 | H17A | 108.6° | 109.5° |
| C17 | C18 | C19 | 111.0° | 120.0° |
| C18 | C17 | H17 | 108.7° | 109.5° |
| C18 | C17 | H17A | 108.7° | 109.4° |
| C17 | C18 | H18 | 124.5° | 120.0° |
| C18 | C19 | C20 | 110.5° | 120.1° |
| C19 | C18 | H18 | 124.5° | 120.0° |
| C18 | C19 | H19 | 124.7° | 120.0° |
| C19 | C20 | C21 | 112.9° | 109.5° |
| C20 | C19 | H19 | 124.7° | 120.0° |
| C19 | C20 | H20 | 108.4° | 109.5° |
| C19 | C20 | H20A | 108.3° | 109.5° |
| C20 | C21 | C22 | 109.9° | 109.5° |
| C21 | C20 | H20 | 108.3° | 109.5° |
| C21 | C20 | H20A | 108.4° | 109.5° |
| C20 | C21 | H21 | 109.3° | 109.5° |
| C20 | C21 | H21A | 109.4° | 109.5° |
| C21 | C22 | C23 | 112.3° | 109.5° |
| C22 | C21 | H21 | 109.4° | 109.4° |
| C22 | C21 | H21A | 109.3° | 109.5° |
| C21 | C22 | H22 | 108.5° | 109.5° |
| C21 | C22 | H22A | 108.5° | 109.5° |
| C22 | C23 | C24 | 113.3° | 109.5° |
| C23 | C22 | H22 | 108.5° | 109.5° |
| C23 | C22 | H22A | 108.5° | 109.5° |
| C22 | C23 | H23 | 108.2° | 109.5° |
| C22 | C23 | H23A | 108.2° | 109.5° |
| C23 | C24 | C25 | 109.8° | 109.5° |
| C24 | C23 | H23 | 108.2° | 109.5° |
| C24 | C23 | H23A | 108.2° | 109.5° |
| C23 | C24 | H24 | 109.4° | 109.5° |
| C23 | C24 | H24A | 109.3° | 109.5° |
| C25 | C24 | H24 | 109.3° | 109.4° |
| C25 | C24 | H24A | 109.3° | 109.4° |
| C27 | C26 | C28 | 109.2° | 109.5° |
| C27 | C26 | H26 | 110.0° | 109.5° |
| C26 | C27 | H27 | 108.9° | 109.5° |
| C26 | C27 | H27A | 108.9° | 109.4° |
| C28 | C26 | H26 | 110.0° | 109.5° |
| C26 | C28 | H28 | 108.9° | 109.4° |
| C26 | C28 | H28A | 108.9° | 109.4° |
| C29 | C30 | C31 | 107.7° | 109.5° |
| C29 | C30 | H30 | 110.0° | 109.5° |
| C29 | C30 | H30A | 110.0° | 109.5° |
| C30 | C31 | C32 | 114.2° | 109.5° |
| C31 | C30 | H30 | 110.1° | 109.4° |
| C31 | C30 | H30A | 110.1° | 109.5° |
| C30 | C31 | H31 | 107.9° | 109.5° |
| C30 | C31 | H31A | 107.9° | 109.5° |
| C31 | C32 | C33 | 108.1° | 109.4° |
| C32 | C31 | H31 | 107.9° | 109.4° |
| C32 | C31 | H31A | 107.9° | 109.5° |
| C31 | C32 | H32 | 109.9° | 109.5° |
| C31 | C32 | H32A | 109.9° | 109.4° |
| C32 | C33 | C34 | 113.3° | 109.4° |
| C33 | C32 | H32 | 109.9° | 109.5° |
| C33 | C32 | H32A | 109.9° | 109.5° |
| C32 | C33 | H33 | 108.2° | 109.5° |
| C32 | C33 | H33A | 108.2° | 109.5° |
| C33 | C34 | C35 | 110.1° | 109.5° |
| C34 | C33 | H33 | 108.2° | 109.5° |
| C34 | C33 | H33A | 108.2° | 109.4° |
| C33 | C34 | H34 | 109.3° | 109.5° |
| C33 | C34 | H34A | 109.3° | 109.4° |
| C35 | C34 | H34 | 109.3° | 109.5° |
| C35 | C34 | H34A | 109.3° | 109.5° |
| C34 | C35 | H35 | 109.5° | 109.5° |
| C34 | C35 | H35A | 109.5° | 109.4° |
| C34 | C35 | H35B | 109.4° | 109.5° |
| O41 | C41 | C42 | 109.5° | 109.4° |
| O41 | C41 | C47 | 109.4° | 109.5° |
| C41 | O41 | C45 | 111.2° | 114.1° |
| O41 | C41 | H41 | 109.5° | 109.5° |
| C42 | C41 | C47 | 109.4° | 109.5° |
| C41 | C42 | N42 | 109.3° | 109.5° |
| C41 | C42 | C43 | 109.5° | 109.1° |
| C42 | C41 | H41 | 109.5° | 109.5° |
| C41 | C42 | H42 | 109.8° | 109.5° |
| C47 | C41 | H41 | 109.6° | 109.5° |
| C41 | C47 | H47 | 109.5° | 109.5° |
| C41 | C47 | H47A | 109.5° | 109.5° |
| C41 | C47 | H47B | 109.5° | 109.5° |
| O41 | C45 | C44 | 110.0° | 109.4° |
| O41 | C45 | H45 | 109.3° | 109.5° |
| N42 | C42 | C43 | 110.0° | 109.5° |
| N42 | C42 | H42 | 109.2° | 109.6° |
| C42 | N42 | HN42 | 109.5° | 111.0° |
| C42 | N42 | HN4A | 109.5° | 111.0° |
| C42 | C43 | O42 | 109.3° | 109.6° |
| C42 | C43 | C44 | 109.7° | 109.1° |
| C43 | C42 | H42 | 109.1° | 109.6° |
| C42 | C43 | H43 | 109.5° | 109.6° |
| O42 | C43 | C44 | 109.4° | 109.5° |
| C43 | O42 | HO42 | 109.5° | 114.0° |
| O42 | C43 | H43 | 109.7° | 109.5° |
| C43 | C44 | N44 | 109.8° | 109.6° |
| C43 | C44 | C45 | 110.7° | 109.1° |
| C44 | C43 | H43 | 109.3° | 109.6° |
| C43 | C44 | H44 | 108.6° | 109.5° |
| N44 | C44 | C45 | 110.1° | 109.5° |
| C44 | N44 | C48 | 122.1° | 120.0° |
| N44 | C44 | H44 | 109.2° | 109.5° |
| C44 | N44 | HN44 | 119.0° | 120.0° |
| C45 | C44 | H44 | 108.3° | 109.5° |
| C44 | C45 | H45 | 109.1° | 109.5° |
| N44 | C48 | O48 | 123.5° | 120.0° |
| N44 | C48 | C49 | 115.7° | 120.0° |
| C48 | N44 | HN44 | 119.0° | 120.0° |
| O48 | C48 | C49 | 120.8° | 120.0° |
| C48 | C49 | H49 | 109.5° | 109.5° |
| C48 | C49 | H49A | 109.5° | 109.5° |
| C48 | C49 | H49B | 109.4° | 109.5° |
| H7 | C7 | H7A | 109.3° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | H11B | 109.5° | 109.4° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H12 | C12 | H12A | 110.0° | 109.4° |
| H13 | C13 | H13A | 110.3° | 109.5° |
| H14 | C14 | H14A | 109.7° | 109.5° |
| H15 | C15 | H15A | 110.4° | 109.5° |
| H16 | C16 | H16A | 109.6° | 109.5° |
| H17 | C17 | H17A | 110.3° | 109.4° |
| H20 | C20 | H20A | 110.5° | 109.4° |
| H21 | C21 | H21A | 109.6° | 109.5° |
| H22 | C22 | H22A | 110.4° | 109.4° |
| H23 | C23 | H23A | 110.7° | 109.4° |
| H24 | C24 | H24A | 109.6° | 109.5° |
| H27 | C27 | H27A | 110.0° | 109.5° |
| H28 | C28 | H28A | 110.1° | 109.5° |
| H30 | C30 | H30A | 108.9° | 109.5° |
| H31 | C31 | H31A | 111.0° | 109.5° |
| H32 | C32 | H32A | 109.0° | 109.5° |
| H33 | C33 | H33A | 110.7° | 109.5° |
| H34 | C34 | H34A | 109.7° | 109.5° |
| H35 | C35 | H35A | 109.5° | 109.5° |
| H35 | C35 | H35B | 109.5° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.5° |
| HN42 | N42 | HN4A | 109.5° | 111.0° |
| H47 | C47 | H47A | 109.4° | 109.5° |
| H47 | C47 | H47B | 109.5° | 109.5° |
| H47A | C47 | H47B | 109.5° | 109.4° |
| H49 | C49 | H49A | 109.4° | 109.5° |
| H49 | C49 | H49B | 109.5° | 109.4° |
| H49A | C49 | H49B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C7 | 121.6° | 120.0° |
| O1 | C1 | C2 | H1 | 119.8° | 120.0° |
| O1 | C1 | C7 | H1 | 119.7° | 120.1° |
| O1 | C1 | C2 | C3 | 61.0° | 57.6° |
| O1 | C1 | C2 | O4 | 179.0° | 177.5° |
| C1 | O1 | C5 | C4 | 65.9° | 61.2° |
| C1 | O1 | C5 | O11 | 54.1° | 58.8° |
| O1 | C1 | C7 | O5 | 61.6° | 65.0° |
| O1 | C1 | C2 | H2 | 58.8° | 62.3° |
| C1 | O1 | C5 | H5 | 175.1° | 178.9° |
| O1 | C1 | C7 | H7 | 178.4° | 175.0° |
| O1 | C1 | C7 | H7A | 58.4° | 55.0° |
| C2 | C1 | C7 | H1 | 119.7° | 120.0° |
| C2 | C1 | O1 | C5 | 68.6° | 61.2° |
| C1 | C2 | C3 | O4 | 119.9° | 119.9° |
| C1 | C2 | C3 | H2 | 120.0° | 119.9° |
| C1 | C2 | O4 | H2 | 120.0° | 120.2° |
| C1 | C2 | C3 | O2 | 172.4° | 176.8° |
| C1 | C2 | C3 | C4 | 50.9° | 57.0° |
| C2 | C1 | C7 | O5 | 177.8° | 175.1° |
| C1 | C2 | C3 | H3 | 68.0° | 63.0° |
| C1 | C2 | O4 | HO4 | 180.0° | 60.0° |
| C2 | C1 | C7 | H7 | 57.8° | 55.0° |
| C2 | C1 | C7 | H7A | 62.2° | 65.0° |
| C7 | C1 | O1 | C5 | 169.7° | 178.8° |
| C7 | C1 | C2 | C3 | 177.4° | 177.6° |
| C7 | C1 | C2 | O4 | 57.4° | 62.5° |
| C1 | C7 | O5 | H7 | 120.0° | 120.0° |
| C1 | C7 | O5 | H7A | 120.0° | 120.0° |
| C7 | C1 | C2 | H2 | 62.8° | 57.7° |
| C1 | C7 | O5 | HO5 | 180.0° | 180.0° |
| C1 | C7 | H7 | H7A | 120.2° | 120.0° |
| O1 | C5 | C4 | C3 | 55.4° | 57.6° |
| O1 | C5 | C4 | O3 | 177.0° | 177.5° |
| O1 | C5 | C4 | O11 | 117.6° | 120.0° |
| O1 | C5 | C4 | H5 | 121.3° | 120.0° |
| O1 | C5 | O11 | H5 | 121.3° | 120.1° |
| O1 | C5 | O11 | C27 | 126.9° | 67.2° |
| C5 | O1 | C1 | H1 | 51.1° | 58.8° |
| O1 | C5 | C4 | H4 | 63.4° | 62.3° |
| C3 | C2 | O4 | H2 | 119.9° | 120.1° |
| C2 | C3 | O2 | C4 | 121.9° | 119.5° |
| C2 | C3 | O2 | H3 | 119.3° | 120.2° |
| C2 | C3 | O2 | C45 | 150.8° | 142.3° |
| C2 | C3 | C4 | H3 | 119.3° | 119.9° |
| C2 | C3 | C4 | O3 | 169.7° | 176.9° |
| C2 | C3 | C4 | C5 | 48.3° | 57.0° |
| C3 | C2 | C1 | H1 | 58.8° | 62.4° |
| C2 | C3 | C4 | H4 | 70.6° | 63.0° |
| C3 | C2 | O4 | HO4 | 59.8° | 179.7° |
| O4 | C2 | C3 | O2 | 67.7° | 63.2° |
| O4 | C2 | C3 | C4 | 170.8° | 176.9° |
| O4 | C2 | C1 | H1 | 61.2° | 57.5° |
| O4 | C2 | C3 | H3 | 51.9° | 56.9° |
| O2 | C3 | C4 | H3 | 119.6° | 120.2° |
| O2 | C3 | C4 | O3 | 69.1° | 63.2° |
| O2 | C3 | C4 | C5 | 169.4° | 176.8° |
| C3 | O2 | C45 | O41 | 65.3° | 66.0° |
| C3 | O2 | C45 | C44 | 174.3° | 174.1° |
| O2 | C3 | C2 | H2 | 52.4° | 56.9° |
| O2 | C3 | C4 | H4 | 50.5° | 56.8° |
| C3 | O2 | C45 | H45 | 54.6° | 54.0° |
| C45 | O2 | C3 | C4 | 87.3° | 98.2° |
| O2 | C45 | O41 | C41 | 177.3° | 178.8° |
| O2 | C45 | O41 | C44 | 120.0° | 120.0° |
| O2 | C45 | O41 | H45 | 120.2° | 120.0° |
| O2 | C45 | C44 | C43 | 176.2° | 177.6° |
| O2 | C45 | C44 | N44 | 62.1° | 62.5° |
| O2 | C45 | C44 | H45 | 120.3° | 120.0° |
| C45 | O2 | C3 | H3 | 31.6° | 22.1° |
| O2 | C45 | C44 | H44 | 57.3° | 57.7° |
| C3 | C4 | O3 | C5 | 122.2° | 119.7° |
| C3 | C4 | O3 | H4 | 118.8° | 120.1° |
| C3 | C4 | C5 | H4 | 118.8° | 120.0° |
| C3 | C4 | C5 | O11 | 62.1° | 62.4° |
| C4 | C3 | C2 | H2 | 69.1° | 62.9° |
| C3 | C4 | O3 | HO3 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 176.8° | 177.6° |
| O3 | C4 | C5 | H4 | 119.6° | 120.2° |
| O3 | C4 | C5 | O11 | 59.5° | 57.5° |
| O3 | C4 | C3 | H3 | 50.5° | 57.0° |
| O3 | C4 | C5 | H5 | 61.7° | 62.5° |
| C4 | C5 | O11 | H5 | 119.0° | 120.0° |
| C4 | C5 | O11 | C27 | 113.4° | 172.8° |
| C5 | C4 | C3 | H3 | 71.0° | 62.9° |
| C5 | C4 | O3 | HO3 | 57.8° | 60.3° |
| C5 | O11 | C27 | C26 | 171.2° | 176.3° |
| O11 | C5 | C4 | H4 | 179.1° | 177.7° |
| C5 | O11 | C27 | H27 | 51.2° | 63.7° |
| C5 | O11 | C27 | H27A | 68.7° | 56.4° |
| O5 | C7 | C1 | H1 | 58.1° | 55.1° |
| O5 | C7 | H7 | H7A | 120.2° | 120.0° |
| O9 | C25 | O10 | C24 | 178.3° | 180.0° |
| O9 | C25 | O10 | C26 | 5.0° | 0.0° |
| O9 | C25 | C24 | C23 | 144.7° | 0.0° |
| O9 | C25 | C24 | H24 | 24.7° | 120.0° |
| O9 | C25 | C24 | H24A | 95.4° | 120.0° |
| O10 | C25 | C24 | C23 | 37.1° | 180.0° |
| C25 | O10 | C26 | C27 | 155.5° | 150.0° |
| C25 | O10 | C26 | C28 | 86.0° | 90.1° |
| O10 | C25 | C24 | H24 | 157.1° | 60.0° |
| O10 | C25 | C24 | H24A | 82.9° | 60.0° |
| C25 | O10 | C26 | H26 | 34.8° | 30.0° |
| O10 | C26 | C27 | O11 | 180.0° | 64.0° |
| O10 | C26 | C28 | O12 | 31.6° | 63.5° |
| C26 | O10 | C25 | C24 | 176.8° | 180.0° |
| O10 | C26 | C27 | C28 | 117.9° | 119.9° |
| O10 | C26 | C27 | H26 | 121.2° | 120.0° |
| O10 | C26 | C28 | H26 | 121.2° | 120.0° |
| O10 | C26 | C27 | H27 | 60.0° | 56.0° |
| O10 | C26 | C27 | H27A | 60.0° | 176.1° |
| O10 | C26 | C28 | H28 | 88.4° | 176.5° |
| O10 | C26 | C28 | H28A | 151.6° | 56.5° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 120.0° | 120.0° |
| C11 | C12 | C13 | C14 | 64.4° | 180.0° |
| C12 | C11 | H11 | H11A | 120.0° | 120.0° |
| C12 | C11 | H11 | H11B | 120.0° | 119.9° |
| C12 | C11 | H11A | H11B | 120.0° | 120.0° |
| C11 | C12 | H12 | H12A | 119.4° | 119.9° |
| C11 | C12 | C13 | H13 | 55.6° | 60.0° |
| C11 | C12 | C13 | H13A | 175.6° | 59.9° |
| O11 | C27 | C26 | H27 | 120.0° | 120.0° |
| O11 | C27 | C26 | H27A | 120.0° | 119.9° |
| O11 | C27 | C26 | C28 | 62.0° | 55.9° |
| C27 | O11 | C5 | H5 | 5.7° | 52.9° |
| O11 | C27 | C26 | H26 | 58.8° | 176.0° |
| O11 | C27 | H27 | H27A | 119.3° | 119.9° |
| C12 | C13 | C14 | H13 | 120.0° | 119.9° |
| C12 | C13 | C14 | H13A | 120.0° | 120.1° |
| C12 | C13 | C14 | C15 | 177.7° | 180.0° |
| C13 | C12 | C11 | H11 | 180.0° | 60.0° |
| C13 | C12 | C11 | H11A | 60.0° | 180.0° |
| C13 | C12 | C11 | H11B | 60.0° | 59.9° |
| C13 | C12 | H12 | H12A | 119.4° | 120.1° |
| C12 | C13 | H13 | H13A | 118.9° | 120.0° |
| C12 | C13 | C14 | H14 | 62.3° | 60.0° |
| C12 | C13 | C14 | H14A | 57.8° | 60.0° |
| C28 | O12 | C29 | O13 | 8.5° | 4.8° |
| O12 | C28 | C26 | C27 | 149.6° | 56.4° |
| O12 | C28 | C26 | H28 | 120.0° | 120.0° |
| O12 | C28 | C26 | H28A | 120.0° | 120.0° |
| C28 | O12 | C29 | C30 | 171.3° | 175.2° |
| O12 | C28 | C26 | H26 | 89.6° | 176.4° |
| O12 | C28 | H28 | H28A | 119.2° | 120.0° |
| O12 | C29 | O13 | C30 | 179.8° | 180.0° |
| C29 | O12 | C28 | C26 | 168.2° | 176.9° |
| O12 | C29 | C30 | C31 | 81.7° | 174.4° |
| C29 | O12 | C28 | H28 | 48.2° | 56.9° |
| C29 | O12 | C28 | H28A | 71.7° | 63.1° |
| O12 | C29 | C30 | H30 | 38.3° | 65.6° |
| O12 | C29 | C30 | H30A | 158.3° | 54.4° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 175.6° | 180.0° |
| C14 | C13 | C12 | H12 | 175.6° | 60.0° |
| C14 | C13 | C12 | H12A | 55.6° | 60.0° |
| C14 | C13 | H13 | H13A | 119.0° | 120.0° |
| C13 | C14 | H14 | H14A | 119.8° | 120.0° |
| C13 | C14 | C15 | H15 | 64.4° | 60.0° |
| C13 | C14 | C15 | H15A | 55.6° | 60.0° |
| O13 | C29 | C30 | C31 | 98.1° | 5.5° |
| O13 | C29 | C30 | H30 | 141.9° | 114.5° |
| O13 | C29 | C30 | H30A | 21.9° | 125.6° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 120.0° | 120.0° |
| C14 | C15 | C16 | C17 | 179.7° | 180.0° |
| C15 | C14 | C13 | H13 | 57.7° | 60.1° |
| C15 | C14 | C13 | H13A | 62.3° | 59.9° |
| C15 | C14 | H14 | H14A | 119.7° | 120.0° |
| C14 | C15 | H15 | H15A | 118.8° | 120.0° |
| C14 | C15 | C16 | H16 | 59.7° | 60.0° |
| C14 | C15 | C16 | H16A | 60.3° | 60.0° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 120.0° | 120.0° |
| C15 | C16 | C17 | C18 | 171.6° | 180.0° |
| C16 | C15 | C14 | H14 | 55.6° | 60.0° |
| C16 | C15 | C14 | H14A | 64.4° | 60.0° |
| C16 | C15 | H15 | H15A | 118.8° | 120.0° |
| C15 | C16 | H16 | H16A | 119.9° | 120.0° |
| C15 | C16 | C17 | H17 | 68.4° | 60.0° |
| C15 | C16 | C17 | H17A | 51.5° | 60.0° |
| C16 | C17 | C18 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | H17A | 120.0° | 120.0° |
| C16 | C17 | C18 | C19 | 173.9° | 127.1° |
| C17 | C16 | C15 | H15 | 60.3° | 60.0° |
| C17 | C16 | C15 | H15A | 59.7° | 60.0° |
| C17 | C16 | H16 | H16A | 119.8° | 120.0° |
| C16 | C17 | H17 | H17A | 119.0° | 120.0° |
| C16 | C17 | C18 | H18 | 6.1° | 52.9° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 45.6° | 7.1° |
| C18 | C17 | C16 | H16 | 51.6° | 60.0° |
| C18 | C17 | C16 | H16A | 68.4° | 60.1° |
| C18 | C17 | H17 | H17A | 119.0° | 119.9° |
| C17 | C18 | C19 | H19 | 134.4° | 173.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 170.6° | 127.1° |
| C19 | C18 | C17 | H17 | 66.1° | 7.0° |
| C19 | C18 | C17 | H17A | 53.9° | 112.9° |
| C18 | C19 | C20 | H20 | 69.4° | 112.9° |
| C18 | C19 | C20 | H20A | 50.5° | 7.0° |
| C19 | C20 | C21 | H20 | 120.0° | 120.0° |
| C19 | C20 | C21 | H20A | 120.0° | 120.0° |
| C19 | C20 | C21 | C22 | 176.7° | 180.0° |
| C20 | C19 | C18 | H18 | 134.4° | 173.0° |
| C19 | C20 | H20 | H20A | 118.6° | 120.0° |
| C19 | C20 | C21 | H21 | 63.3° | 60.0° |
| C19 | C20 | C21 | H21A | 56.7° | 60.1° |
| C20 | C21 | C22 | H21 | 120.0° | 120.0° |
| C20 | C21 | C22 | H21A | 120.0° | 120.0° |
| C20 | C21 | C22 | C23 | 154.4° | 180.0° |
| C21 | C20 | C19 | H19 | 9.4° | 52.9° |
| C21 | C20 | H20 | H20A | 118.6° | 120.0° |
| C20 | C21 | H21 | H21A | 119.8° | 120.0° |
| C20 | C21 | C22 | H22 | 85.6° | 60.0° |
| C20 | C21 | C22 | H22A | 34.4° | 60.0° |
| C21 | C22 | C23 | H22 | 120.0° | 120.0° |
| C21 | C22 | C23 | H22A | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 67.6° | 180.0° |
| C22 | C21 | C20 | H20 | 56.7° | 60.0° |
| C22 | C21 | C20 | H20A | 63.3° | 60.0° |
| C22 | C21 | H21 | H21A | 119.8° | 120.0° |
| C21 | C22 | H22 | H22A | 118.8° | 120.0° |
| C21 | C22 | C23 | H23 | 172.3° | 60.0° |
| C21 | C22 | C23 | H23A | 52.3° | 60.0° |
| C22 | C23 | C24 | H23 | 120.0° | 120.0° |
| C22 | C23 | C24 | H23A | 120.0° | 120.0° |
| C22 | C23 | C24 | C25 | 172.0° | 180.0° |
| C23 | C22 | C21 | H21 | 34.3° | 60.0° |
| C23 | C22 | C21 | H21A | 85.6° | 60.0° |
| C23 | C22 | H22 | H22A | 118.8° | 120.0° |
| C22 | C23 | H23 | H23A | 118.5° | 120.0° |
| C22 | C23 | C24 | H24 | 52.0° | 60.1° |
| C22 | C23 | C24 | H24A | 68.0° | 60.0° |
| C23 | C24 | C25 | H24 | 120.0° | 120.0° |
| C23 | C24 | C25 | H24A | 120.0° | 120.0° |
| C24 | C23 | C22 | H22 | 52.4° | 60.0° |
| C24 | C23 | C22 | H22A | 172.3° | 60.0° |
| C24 | C23 | H23 | H23A | 118.4° | 120.0° |
| C23 | C24 | H24 | H24A | 119.9° | 120.0° |
| C25 | C24 | C23 | H23 | 68.0° | 60.0° |
| C25 | C24 | C23 | H23A | 52.0° | 60.0° |
| C25 | C24 | H24 | H24A | 119.9° | 120.0° |
| C27 | C26 | C28 | H26 | 120.8° | 120.0° |
| C26 | C27 | H27 | H27A | 119.3° | 120.0° |
| C27 | C26 | C28 | H28 | 29.6° | 63.6° |
| C27 | C26 | C28 | H28A | 90.4° | 176.4° |
| C28 | C26 | C27 | H27 | 58.0° | 175.9° |
| C28 | C26 | C27 | H27A | 178.0° | 64.0° |
| C26 | C28 | H28 | H28A | 119.3° | 119.9° |
| C29 | C30 | C31 | H30 | 120.0° | 120.0° |
| C29 | C30 | C31 | H30A | 120.0° | 120.0° |
| C29 | C30 | C31 | C32 | 170.0° | 175.1° |
| C29 | C30 | H30 | H30A | 120.7° | 120.0° |
| C29 | C30 | C31 | H31 | 70.0° | 55.2° |
| C29 | C30 | C31 | H31A | 50.0° | 64.9° |
| C30 | C31 | C32 | H31 | 120.0° | 120.0° |
| C30 | C31 | C32 | H31A | 120.0° | 120.0° |
| C30 | C31 | C32 | C33 | 171.5° | 175.2° |
| C31 | C30 | H30 | H30A | 120.7° | 120.0° |
| C30 | C31 | H31 | H31A | 118.0° | 120.0° |
| C30 | C31 | C32 | H32 | 51.5° | 64.7° |
| C30 | C31 | C32 | H32A | 68.4° | 55.2° |
| C31 | C32 | C33 | H32 | 120.0° | 120.0° |
| C31 | C32 | C33 | H32A | 120.0° | 119.9° |
| C31 | C32 | C33 | C34 | 175.5° | 180.0° |
| C32 | C31 | C30 | H30 | 50.0° | 64.9° |
| C32 | C31 | C30 | H30A | 70.0° | 55.1° |
| C32 | C31 | H31 | H31A | 118.1° | 120.0° |
| C31 | C32 | H32 | H32A | 120.5° | 119.9° |
| C31 | C32 | C33 | H33 | 64.6° | 60.0° |
| C31 | C32 | C33 | H33A | 55.5° | 60.1° |
| C32 | C33 | C34 | H33 | 120.0° | 120.0° |
| C32 | C33 | C34 | H33A | 120.0° | 120.0° |
| C32 | C33 | C34 | C35 | 176.2° | 180.0° |
| C33 | C32 | C31 | H31 | 68.5° | 55.2° |
| C33 | C32 | C31 | H31A | 51.5° | 64.8° |
| C33 | C32 | H32 | H32A | 120.6° | 120.1° |
| C32 | C33 | H33 | H33A | 118.5° | 120.1° |
| C32 | C33 | C34 | H34 | 56.2° | 60.0° |
| C32 | C33 | C34 | H34A | 63.7° | 60.0° |
| C33 | C34 | C35 | H34 | 120.0° | 120.0° |
| C33 | C34 | C35 | H34A | 120.0° | 120.0° |
| C34 | C33 | C32 | H32 | 55.5° | 60.0° |
| C34 | C33 | C32 | H32A | 64.5° | 60.1° |
| C34 | C33 | H33 | H33A | 118.4° | 120.0° |
| C33 | C34 | H34 | H34A | 119.7° | 120.0° |
| C33 | C34 | C35 | H35 | 180.0° | 180.0° |
| C33 | C34 | C35 | H35A | 60.0° | 60.0° |
| C33 | C34 | C35 | H35B | 60.0° | 60.0° |
| C35 | C34 | C33 | H33 | 63.8° | 60.0° |
| C35 | C34 | C33 | H33A | 56.2° | 60.0° |
| C35 | C34 | H34 | H34A | 119.7° | 120.0° |
| C34 | C35 | H35 | H35A | 120.0° | 120.0° |
| C34 | C35 | H35 | H35B | 120.0° | 120.0° |
| C34 | C35 | H35A | H35B | 120.0° | 120.0° |
| O41 | C41 | C42 | C47 | 119.8° | 120.0° |
| O41 | C41 | C42 | H41 | 120.1° | 120.0° |
| O41 | C41 | C47 | H41 | 120.1° | 120.0° |
| O41 | C41 | C42 | N42 | 60.9° | 62.3° |
| O41 | C41 | C42 | C43 | 59.6° | 57.6° |
| C41 | O41 | C45 | C44 | 62.7° | 61.2° |
| O41 | C41 | C42 | H42 | 179.3° | 177.5° |
| C41 | O41 | C45 | H45 | 57.0° | 58.9° |
| O41 | C41 | C47 | H47 | 180.0° | 60.0° |
| O41 | C41 | C47 | H47A | 60.0° | 180.0° |
| O41 | C41 | C47 | H47B | 60.0° | 60.0° |
| C42 | C41 | C47 | H41 | 120.0° | 120.0° |
| C42 | C41 | O41 | C45 | 64.5° | 61.1° |
| C41 | C42 | N42 | C43 | 120.2° | 119.6° |
| C41 | C42 | N42 | H42 | 120.1° | 120.1° |
| C41 | C42 | C43 | H42 | 120.1° | 119.9° |
| C41 | C42 | C43 | O42 | 173.9° | 176.8° |
| C41 | C42 | C43 | C44 | 54.0° | 57.0° |
| C41 | C42 | N42 | HN42 | 180.0° | 60.0° |
| C41 | C42 | N42 | HN4A | 60.0° | 176.0° |
| C41 | C42 | C43 | H43 | 66.0° | 63.0° |
| C42 | C41 | C47 | H47 | 60.1° | 180.0° |
| C42 | C41 | C47 | H47A | 59.9° | 60.0° |
| C42 | C41 | C47 | H47B | 179.9° | 60.0° |
| C47 | C41 | O41 | C45 | 175.6° | 178.9° |
| C47 | C41 | C42 | N42 | 58.9° | 57.7° |
| C47 | C41 | C42 | C43 | 179.4° | 177.6° |
| C47 | C41 | C42 | H42 | 60.9° | 62.4° |
| C41 | C47 | H47 | H47A | 120.0° | 120.0° |
| C41 | C47 | H47 | H47B | 120.0° | 120.0° |
| C41 | C47 | H47A | H47B | 120.0° | 120.0° |
| O41 | C45 | C44 | C43 | 56.4° | 57.6° |
| O41 | C45 | C44 | N44 | 178.0° | 177.5° |
| O41 | C45 | C44 | H45 | 119.9° | 120.0° |
| C45 | O41 | C41 | H41 | 55.5° | 58.8° |
| O41 | C45 | C44 | H44 | 62.6° | 62.3° |
| N42 | C42 | C43 | H42 | 119.8° | 120.2° |
| N42 | C42 | C43 | O42 | 53.8° | 57.0° |
| N42 | C42 | C43 | C44 | 66.1° | 62.9° |
| N42 | C42 | C41 | H41 | 179.0° | 177.7° |
| C42 | N42 | HN42 | HN4A | 120.0° | 123.9° |
| N42 | C42 | C43 | H43 | 174.0° | 177.2° |
| C42 | C43 | O42 | C44 | 120.1° | 119.6° |
| C42 | C43 | O42 | H43 | 120.0° | 120.2° |
| C42 | C43 | C44 | H43 | 120.0° | 119.9° |
| C42 | C43 | C44 | N44 | 174.5° | 176.9° |
| C42 | C43 | C44 | C45 | 52.7° | 57.0° |
| C43 | C42 | C41 | H41 | 60.5° | 62.4° |
| C43 | C42 | N42 | HN42 | 59.9° | 179.7° |
| C43 | C42 | N42 | HN4A | 60.2° | 56.4° |
| C42 | C43 | O42 | HO42 | 180.0° | 60.0° |
| C42 | C43 | C44 | H44 | 66.1° | 62.9° |
| O42 | C43 | C44 | H43 | 120.2° | 120.2° |
| O42 | C43 | C44 | N44 | 65.7° | 63.2° |
| O42 | C43 | C44 | C45 | 172.5° | 176.9° |
| O42 | C43 | C42 | H42 | 66.0° | 63.2° |
| O42 | C43 | C44 | H44 | 53.7° | 57.0° |
| C43 | C44 | N44 | C45 | 122.2° | 119.7° |
| C43 | C44 | N44 | H44 | 119.0° | 120.2° |
| C43 | C44 | C45 | H44 | 119.0° | 119.9° |
| C43 | C44 | N44 | C48 | 100.6° | 155.0° |
| C44 | C43 | C42 | H42 | 174.1° | 176.9° |
| C44 | C43 | O42 | HO42 | 60.0° | 179.6° |
| C43 | C44 | N44 | HN44 | 79.4° | 24.9° |
| C43 | C44 | C45 | H45 | 63.5° | 62.4° |
| N44 | C44 | C45 | H44 | 119.4° | 120.2° |
| C44 | N44 | C48 | HN44 | 180.0° | 179.9° |
| C44 | N44 | C48 | O48 | 179.9° | 0.1° |
| C44 | N44 | C48 | C49 | 0.3° | 180.0° |
| N44 | C44 | C43 | H43 | 54.5° | 56.9° |
| N44 | C44 | C45 | H45 | 58.1° | 57.5° |
| C45 | C44 | N44 | C48 | 137.2° | 85.4° |
| C45 | C44 | C43 | H43 | 67.3° | 63.0° |
| C45 | C44 | N44 | HN44 | 42.8° | 94.7° |
| N44 | C48 | O48 | C49 | 179.7° | 180.0° |
| C48 | N44 | C44 | H44 | 18.4° | 34.8° |
| N44 | C48 | C49 | H49 | 179.8° | 90.0° |
| N44 | C48 | C49 | H49A | 60.3° | 150.0° |
| N44 | C48 | C49 | H49B | 59.7° | 30.0° |
| O48 | C48 | N44 | HN44 | 0.1° | 180.0° |
| O48 | C48 | C49 | H49 | 0.0° | 90.0° |
| O48 | C48 | C49 | H49A | 120.0° | 30.0° |
| O48 | C48 | C49 | H49B | 120.0° | 150.1° |
| C49 | C48 | N44 | HN44 | 179.6° | 0.1° |
| C48 | C49 | H49 | H49A | 120.0° | 120.0° |
| C48 | C49 | H49 | H49B | 120.0° | 120.0° |
| C48 | C49 | H49A | H49B | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 178.6° | 177.7° |
| H1 | C1 | C7 | H7 | 61.9° | 65.0° |
| H1 | C1 | C7 | H7A | 178.1° | 175.0° |
| H2 | C2 | C3 | H3 | 172.1° | 177.1° |
| H2 | C2 | O4 | HO4 | 60.1° | 60.2° |
| H3 | C3 | C4 | H4 | 170.1° | 177.0° |
| HO3 | O3 | C4 | H4 | 61.1° | 60.0° |
| H4 | C4 | C5 | H5 | 57.9° | 57.7° |
| HO5 | O5 | C7 | H7 | 60.0° | 60.0° |
| HO5 | O5 | C7 | H7A | 60.0° | 60.0° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 60.0° | 180.0° |
| H11 | C11 | C12 | H12A | 60.0° | 60.1° |
| H11A | C11 | C12 | H12 | 60.0° | 60.0° |
| H11A | C11 | C12 | H12A | 180.0° | 59.9° |
| H11B | C11 | C12 | H12 | 180.0° | 60.1° |
| H11B | C11 | C12 | H12A | 60.0° | NaN° |
| H12 | C12 | C13 | H13 | 64.4° | 180.0° |
| H12 | C12 | C13 | H13A | 55.6° | 60.0° |
| H12A | C12 | C13 | H13 | 175.6° | 60.0° |
| H12A | C12 | C13 | H13A | 64.4° | 180.0° |
| H13 | C13 | C14 | H14 | 177.7° | 180.0° |
| H13 | C13 | C14 | H14A | 62.2° | 59.9° |
| H13A | C13 | C14 | H14 | 57.7° | 60.0° |
| H13A | C13 | C14 | H14A | 177.8° | 179.9° |
| H14 | C14 | C15 | H15 | 175.6° | 180.0° |
| H14 | C14 | C15 | H15A | 64.4° | 60.0° |
| H14A | C14 | C15 | H15 | 55.6° | 60.0° |
| H14A | C14 | C15 | H15A | 175.6° | 180.0° |
| H15 | C15 | C16 | H16 | 179.7° | 180.0° |
| H15 | C15 | C16 | H16A | 59.7° | 60.0° |
| H15A | C15 | C16 | H16 | 60.2° | 60.0° |
| H15A | C15 | C16 | H16A | 179.7° | 180.0° |
| H16 | C16 | C17 | H17 | 171.6° | 180.0° |
| H16 | C16 | C17 | H17A | 68.5° | 60.0° |
| H16A | C16 | C17 | H17 | 51.6° | 60.0° |
| H16A | C16 | C17 | H17A | 171.5° | 180.0° |
| H17 | C17 | C18 | H18 | 113.9° | 172.9° |
| H17A | C17 | C18 | H18 | 126.1° | 67.1° |
| H18 | C18 | C19 | H19 | 45.6° | 7.0° |
| H19 | C19 | C20 | H20 | 110.6° | 67.1° |
| H19 | C19 | C20 | H20A | 129.5° | 172.9° |
| H20 | C20 | C21 | H21 | 176.7° | 180.0° |
| H20 | C20 | C21 | H21A | 63.3° | 60.0° |
| H20A | C20 | C21 | H21 | 56.7° | 60.0° |
| H20A | C20 | C21 | H21A | 176.7° | 180.0° |
| H21 | C21 | C22 | H22 | 154.4° | 180.0° |
| H21 | C21 | C22 | H22A | 85.6° | 60.0° |
| H21A | C21 | C22 | H22 | 34.4° | 60.0° |
| H21A | C21 | C22 | H22A | 154.4° | 180.0° |
| H22 | C22 | C23 | H23 | 67.6° | 180.0° |
| H22 | C22 | C23 | H23A | 172.4° | 60.0° |
| H22A | C22 | C23 | H23 | 52.3° | 60.0° |
| H22A | C22 | C23 | H23A | 67.7° | 180.0° |
| H23 | C23 | C24 | H24 | 172.0° | 179.9° |
| H23 | C23 | C24 | H24A | 52.0° | 60.0° |
| H23A | C23 | C24 | H24 | 68.0° | 60.0° |
| H23A | C23 | C24 | H24A | 172.0° | 180.0° |
| H26 | C26 | C27 | H27 | 178.8° | 64.0° |
| H26 | C26 | C27 | H27A | 61.2° | 56.1° |
| H26 | C26 | C28 | H28 | 150.4° | 56.4° |
| H26 | C26 | C28 | H28A | 30.4° | 63.5° |
| H30 | C30 | C31 | H31 | 170.0° | 175.1° |
| H30 | C30 | C31 | H31A | 70.0° | 55.1° |
| H30A | C30 | C31 | H31 | 50.0° | 64.9° |
| H30A | C30 | C31 | H31A | 170.0° | 175.1° |
| H31 | C31 | C32 | H32 | 171.5° | 175.3° |
| H31 | C31 | C32 | H32A | 51.5° | 64.7° |
| H31A | C31 | C32 | H32 | 68.4° | 55.3° |
| H31A | C31 | C32 | H32A | 171.6° | 175.3° |
| H32 | C32 | C33 | H33 | 175.4° | 180.0° |
| H32 | C32 | C33 | H33A | 64.5° | 59.9° |
| H32A | C32 | C33 | H33 | 55.5° | 59.9° |
| H32A | C32 | C33 | H33A | 175.5° | 180.0° |
| H33 | C33 | C34 | H34 | 176.2° | 180.0° |
| H33 | C33 | C34 | H34A | 56.3° | 60.0° |
| H33A | C33 | C34 | H34 | 63.8° | 60.0° |
| H33A | C33 | C34 | H34A | 176.2° | 180.0° |
| H34 | C34 | C35 | H35 | 60.0° | 60.0° |
| H34 | C34 | C35 | H35A | 180.0° | 180.0° |
| H34 | C34 | C35 | H35B | 60.0° | 60.0° |
| H34A | C34 | C35 | H35 | 60.0° | 60.0° |
| H34A | C34 | C35 | H35A | 60.0° | 60.0° |
| H34A | C34 | C35 | H35B | 180.0° | 180.0° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| H41 | C41 | C42 | H42 | 59.2° | 57.6° |
| H41 | C41 | C47 | H47 | 59.9° | 60.0° |
| H41 | C41 | C47 | H47A | 179.9° | 60.0° |
| H41 | C41 | C47 | H47B | 60.1° | 179.9° |
| H42 | C42 | N42 | HN42 | 59.9° | 60.1° |
| H42 | C42 | N42 | HN4A | 179.9° | 63.8° |
| H42 | C42 | C43 | H43 | 54.2° | 57.0° |
| HO42 | O42 | C43 | H43 | 60.0° | 60.2° |
| H43 | C43 | C44 | H44 | 173.9° | 177.1° |
| H44 | C44 | N44 | HN44 | 161.6° | 145.1° |
| H44 | C44 | C45 | H45 | 177.5° | 177.7° |
| H47 | C47 | H47A | H47B | 120.0° | 120.0° |
| H49 | C49 | H49A | H49B | 120.0° | 120.0° |
