SXJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| H1 | C1 | sing | 1.09Å | 1.10Å | |
| C2 | C1 | sing | 1.52Å | 1.54Å | |
| H1B | C1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C15 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| H3A | C3 | sing | 1.09Å | 1.10Å | |
| H3B | C3 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.52Å | 1.52Å | |
| H4 | C4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| C37 | C6 | sing | 1.51Å | 1.56Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C13 | C6 | sing | 1.53Å | 1.56Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | H7A | sing | 1.10Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| H8A | C8 | sing | 1.09Å | 1.10Å | |
| C9 | C8 | sing | 1.52Å | 1.55Å | |
| H8 | C8 | sing | 1.11Å | 1.10Å | |
| C20 | C9 | sing | 1.54Å | 1.62Å | |
| C9 | C11 | sing | 1.52Å | 1.57Å | |
| C9 | C10 | sing | 1.54Å | 1.55Å | |
| H10B | C10 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| H11 | C11 | sing | 1.11Å | 1.10Å | |
| C16 | C11 | sing | 1.52Å | 1.52Å | |
| C11 | C13 | sing | 1.52Å | 1.55Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| C13 | C15 | sing | 1.52Å | 1.54Å | |
| H15 | C15 | sing | 1.09Å | 1.10Å | |
| H15A | C15 | sing | 1.09Å | 1.10Å | |
| C18 | C16 | sing | 1.47Å | 1.47Å | |
| C16 | O17 | doub | 1.21Å | 1.22Å | |
| C19 | C18 | doub | 1.34Å | 1.35Å | |
| H18 | C18 | sing | 1.08Å | 1.08Å | |
| C33 | C19 | sing | 1.52Å | 1.55Å | |
| C19 | C20 | sing | 1.50Å | 1.55Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C22 | C20 | sing | 1.53Å | 1.54Å | |
| H21 | C21 | sing | 1.09Å | 1.10Å | |
| H21B | C21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | C22 | sing | 1.54Å | 1.51Å | |
| H22A | C22 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| H23A | C23 | sing | 1.08Å | 1.10Å | |
| H23 | C23 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C26 | C24 | sing | 1.52Å | 1.57Å | |
| C24 | C33 | sing | 1.53Å | 1.57Å | |
| C24 | H24 | sing | 1.12Å | 1.10Å | |
| C28 | C26 | sing | 1.53Å | 1.54Å | |
| C29 | C26 | sing | 1.50Å | 1.51Å | |
| C26 | C27 | sing | 1.54Å | 1.54Å | |
| H27 | C27 | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| H28A | C28 | sing | 1.09Å | 1.10Å | |
| H28B | C28 | sing | 1.09Å | 1.10Å | |
| H28 | C28 | sing | 1.09Å | 1.10Å | |
| O30 | C29 | sing | 1.35Å | 1.34Å | |
| C29 | C31 | doub | 1.33Å | 1.38Å | |
| HO30 | O30 | sing | 0.97Å | 0.95Å | |
| C35 | C31 | sing | 1.43Å | 1.42Å | |
| C31 | C32 | sing | 1.50Å | 1.52Å | |
| C33 | C32 | sing | 1.54Å | 1.56Å | |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| H34A | C34 | sing | 1.09Å | 1.10Å | |
| H34B | C34 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| N36 | C35 | trip | 1.14Å | 1.15Å | |
| O38 | C37 | doub | 1.21Å | 1.26Å | |
| O39 | C37 | sing | 1.34Å | 1.26Å | |
| O39 | HO39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H1 | C1 | C2 | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.4° |
| H1 | C1 | H1A | 109.4° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.4° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C1 | C2 | C15 | 110.5° | 110.8° |
| C1 | C2 | C4 | 110.3° | 110.8° |
| C1 | C2 | C3 | 109.1° | 108.9° |
| H1B | C1 | H1A | 109.5° | 109.5° |
| C15 | C2 | C4 | 108.7° | 109.1° |
| C15 | C2 | C3 | 109.0° | 108.5° |
| C2 | C15 | C13 | 115.1° | 111.1° |
| C2 | C15 | H15 | 108.0° | 108.9° |
| C2 | C15 | H15A | 108.0° | 106.1° |
| C4 | C2 | C3 | 109.3° | 108.7° |
| C2 | C4 | C5 | 113.5° | 111.1° |
| C2 | C4 | H4 | 108.4° | 109.2° |
| C2 | C4 | H4A | 108.4° | 109.0° |
| C2 | C3 | H3A | 109.5° | 109.5° |
| C2 | C3 | H3B | 109.4° | 109.5° |
| C2 | C3 | H3 | 109.4° | 109.5° |
| H3A | C3 | H3B | 109.4° | 109.4° |
| H3A | C3 | H3 | 109.5° | 109.5° |
| H3B | C3 | H3 | 109.5° | 109.5° |
| C5 | C4 | H4 | 108.4° | 109.6° |
| C5 | C4 | H4A | 108.4° | 109.5° |
| C4 | C5 | C6 | 113.6° | 112.0° |
| C4 | C5 | H5A | 108.4° | 110.3° |
| C4 | C5 | H5 | 108.4° | 109.0° |
| H4 | C4 | H4A | 109.5° | 108.3° |
| C6 | C5 | H5A | 108.4° | 109.3° |
| C6 | C5 | H5 | 108.4° | 108.6° |
| C5 | C6 | C37 | 104.0° | 107.5° |
| C5 | C6 | C7 | 111.4° | 110.7° |
| C5 | C6 | C13 | 110.7° | 110.5° |
| H5A | C5 | H5 | 109.4° | 107.5° |
| C37 | C6 | C7 | 108.5° | 109.5° |
| C37 | C6 | C13 | 112.3° | 109.4° |
| C6 | C37 | O38 | 117.6° | 120.0° |
| C6 | C37 | O39 | 116.6° | 120.0° |
| C7 | C6 | C13 | 109.8° | 109.1° |
| C6 | C7 | C8 | 113.3° | 111.0° |
| C6 | C7 | H7A | 108.5° | 109.0° |
| C6 | C7 | H7 | 108.5° | 110.0° |
| C6 | C13 | C11 | 110.2° | 109.7° |
| C6 | C13 | H13 | 106.6° | 107.4° |
| C6 | C13 | C15 | 111.5° | 110.2° |
| C8 | C7 | H7A | 108.5° | 108.8° |
| C8 | C7 | H7 | 108.5° | 109.9° |
| C7 | C8 | H8A | 108.4° | 109.0° |
| C7 | C8 | C9 | 113.8° | 112.6° |
| C7 | C8 | H8 | 108.4° | 107.5° |
| H7A | C7 | H7 | 109.5° | 108.2° |
| H8A | C8 | C9 | 108.4° | 112.6° |
| H8A | C8 | H8 | 109.4° | 106.5° |
| C9 | C8 | H8 | 108.4° | 108.3° |
| C8 | C9 | C20 | 111.0° | 111.5° |
| C8 | C9 | C11 | 109.8° | 113.0° |
| C8 | C9 | C10 | 107.7° | 108.4° |
| C20 | C9 | C11 | 106.1° | 109.0° |
| C20 | C9 | C10 | 109.8° | 105.9° |
| C9 | C20 | C19 | 108.4° | 111.4° |
| C9 | C20 | C21 | 112.4° | 107.7° |
| C9 | C20 | C22 | 110.1° | 110.0° |
| C11 | C9 | C10 | 112.4° | 108.8° |
| C9 | C11 | H11 | 106.0° | 109.2° |
| C9 | C11 | C16 | 108.3° | 106.8° |
| C9 | C11 | C13 | 115.6° | 115.4° |
| C9 | C10 | H10B | 109.5° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.4° |
| C9 | C10 | H10A | 109.5° | 109.5° |
| H10B | C10 | H10 | 109.5° | 109.5° |
| H10B | C10 | H10A | 109.4° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.4° |
| H11 | C11 | C16 | 106.5° | 105.7° |
| H11 | C11 | C13 | 106.2° | 107.3° |
| C16 | C11 | C13 | 113.6° | 112.0° |
| C11 | C16 | C18 | 118.1° | 115.7° |
| C11 | C16 | O17 | 121.4° | 122.8° |
| C11 | C13 | H13 | 106.7° | 107.3° |
| C11 | C13 | C15 | 114.5° | 113.2° |
| H13 | C13 | C15 | 106.9° | 108.7° |
| C13 | C15 | H15 | 108.1° | 110.8° |
| C13 | C15 | H15A | 108.1° | 110.6° |
| H15 | C15 | H15A | 109.5° | 109.2° |
| C18 | C16 | O17 | 120.6° | 121.5° |
| C16 | C18 | C19 | 125.3° | 121.3° |
| C16 | C18 | H18 | 117.3° | 118.5° |
| C19 | C18 | H18 | 117.4° | 120.2° |
| C18 | C19 | C33 | 120.5° | 116.9° |
| C18 | C19 | C20 | 118.2° | 122.7° |
| C33 | C19 | C20 | 121.3° | 120.4° |
| C19 | C33 | C24 | 111.4° | 109.0° |
| C19 | C33 | C32 | 111.7° | 108.5° |
| C19 | C33 | C34 | 105.7° | 109.9° |
| C19 | C20 | C21 | 105.8° | 107.9° |
| C19 | C20 | C22 | 113.0° | 111.9° |
| C21 | C20 | C22 | 107.1° | 107.7° |
| C20 | C21 | H21 | 109.5° | 109.5° |
| C20 | C21 | H21B | 109.5° | 109.5° |
| C20 | C21 | H21A | 109.5° | 109.4° |
| C20 | C22 | C23 | 113.8° | 110.4° |
| C20 | C22 | H22A | 108.4° | 109.5° |
| C20 | C22 | H22 | 108.4° | 112.4° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21 | C21 | H21A | 109.4° | 109.5° |
| H21B | C21 | H21A | 109.5° | 109.5° |
| C23 | C22 | H22A | 108.4° | 108.3° |
| C23 | C22 | H22 | 108.4° | 107.3° |
| C22 | C23 | H23A | 109.0° | 110.1° |
| C22 | C23 | H23 | 109.1° | 107.7° |
| C22 | C23 | C24 | 111.1° | 107.7° |
| H22A | C22 | H22 | 109.5° | 108.8° |
| H23A | C23 | H23 | 109.4° | 109.6° |
| H23A | C23 | C24 | 109.1° | 112.0° |
| H23 | C23 | C24 | 109.1° | 109.6° |
| C23 | C24 | C26 | 113.0° | 112.3° |
| C23 | C24 | C33 | 110.3° | 109.9° |
| C23 | C24 | H24 | 105.3° | 106.4° |
| C26 | C24 | C33 | 117.2° | 113.8° |
| C26 | C24 | H24 | 104.9° | 107.1° |
| C24 | C26 | C28 | 112.4° | 112.0° |
| C24 | C26 | C29 | 110.6° | 112.4° |
| C24 | C26 | C27 | 109.5° | 108.3° |
| C33 | C24 | H24 | 104.9° | 106.8° |
| C24 | C33 | C32 | 105.3° | 107.8° |
| C24 | C33 | C34 | 114.8° | 112.7° |
| C28 | C26 | C29 | 108.4° | 109.3° |
| C28 | C26 | C27 | 107.7° | 107.5° |
| C26 | C28 | H28A | 109.5° | 109.5° |
| C26 | C28 | H28B | 109.4° | 109.5° |
| C26 | C28 | H28 | 109.5° | 109.4° |
| C29 | C26 | C27 | 108.1° | 107.2° |
| C26 | C29 | O30 | 112.1° | 117.8° |
| C26 | C29 | C31 | 123.9° | 124.2° |
| C26 | C27 | H27 | 109.5° | 109.5° |
| C26 | C27 | H27B | 109.5° | 109.5° |
| C26 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.5° | 109.4° |
| H27 | C27 | H27A | 109.5° | 109.4° |
| H27B | C27 | H27A | 109.4° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28 | 109.5° | 109.5° |
| H28B | C28 | H28 | 109.5° | 109.4° |
| O30 | C29 | C31 | 124.0° | 118.0° |
| C29 | O30 | HO30 | 109.5° | 114.0° |
| C29 | C31 | C35 | 119.9° | 118.9° |
| C29 | C31 | C32 | 123.4° | 122.5° |
| C35 | C31 | C32 | 116.7° | 118.6° |
| C31 | C35 | N36 | 179.8° | 180.0° |
| C31 | C32 | C33 | 110.4° | 108.4° |
| C31 | C32 | H32 | 109.2° | 109.9° |
| C31 | C32 | H32A | 109.3° | 108.6° |
| C33 | C32 | H32 | 109.2° | 109.8° |
| C33 | C32 | H32A | 109.2° | 109.3° |
| C32 | C33 | C34 | 108.0° | 108.7° |
| H32 | C32 | H32A | 109.5° | 110.8° |
| C33 | C34 | H34A | 109.5° | 109.5° |
| C33 | C34 | H34B | 109.5° | 109.4° |
| C33 | C34 | H34 | 109.5° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.5° |
| H34A | C34 | H34 | 109.5° | 109.5° |
| H34B | C34 | H34 | 109.4° | 109.5° |
| O38 | C37 | O39 | 125.8° | 120.0° |
| C37 | O39 | HO39 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H1 | C1 | C2 | H1B | 120.0° | 119.9° |
| H1 | C1 | C2 | H1A | 120.0° | 120.1° |
| H1 | C1 | H1B | H1A | 120.0° | 120.1° |
| H1 | C1 | C2 | C15 | 180.0° | 61.2° |
| H1 | C1 | C2 | C4 | 59.8° | 60.0° |
| H1 | C1 | C2 | C3 | 60.2° | 179.6° |
| C2 | C1 | H1B | H1A | 120.0° | 120.0° |
| C1 | C2 | C15 | C4 | 121.1° | 122.2° |
| C1 | C2 | C15 | C3 | 119.9° | 119.5° |
| C1 | C2 | C4 | C3 | 119.9° | 119.7° |
| C1 | C2 | C3 | H3A | 180.0° | 180.0° |
| C1 | C2 | C3 | H3B | 60.0° | 60.0° |
| C1 | C2 | C3 | H3 | 60.0° | 60.0° |
| C1 | C2 | C4 | C5 | 68.1° | 65.3° |
| C1 | C2 | C4 | H4 | 171.3° | 173.6° |
| C1 | C2 | C4 | H4A | 52.5° | 55.4° |
| C1 | C2 | C15 | C13 | 67.7° | 63.3° |
| C1 | C2 | C15 | H15 | 53.1° | 59.1° |
| C1 | C2 | C15 | H15A | 171.5° | 176.5° |
| H1B | C1 | C2 | C15 | 60.0° | 58.7° |
| H1B | C1 | C2 | C4 | 179.8° | 179.9° |
| H1B | C1 | C2 | C3 | 59.8° | 60.5° |
| H1A | C1 | C2 | C15 | 60.0° | 178.7° |
| H1A | C1 | C2 | C4 | 60.2° | 60.1° |
| H1A | C1 | C2 | C3 | 179.8° | 59.5° |
| C15 | C2 | C4 | C3 | 118.9° | 118.1° |
| C15 | C2 | C3 | H3A | 59.3° | 59.4° |
| C15 | C2 | C3 | H3B | 60.7° | 60.6° |
| C15 | C2 | C3 | H3 | 179.3° | 179.4° |
| C15 | C2 | C4 | C5 | 53.1° | 56.9° |
| C15 | C2 | C4 | H4 | 67.5° | 64.2° |
| C15 | C2 | C4 | H4A | 173.7° | 177.6° |
| C2 | C15 | C13 | C6 | 53.2° | 58.9° |
| C2 | C15 | C13 | C11 | 179.1° | 177.8° |
| C2 | C15 | C13 | H13 | 62.9° | 58.6° |
| C2 | C15 | C13 | H15 | 120.8° | 121.2° |
| C2 | C15 | C13 | H15A | 120.8° | 117.5° |
| C2 | C15 | H15 | H15A | 117.4° | 115.4° |
| C4 | C2 | C3 | H3A | 59.4° | 59.2° |
| C4 | C2 | C3 | H3B | 179.4° | 179.1° |
| C4 | C2 | C3 | H3 | 60.6° | 60.9° |
| C2 | C4 | C5 | H4 | 120.6° | 120.8° |
| C2 | C4 | C5 | H4A | 120.6° | 120.5° |
| C2 | C4 | H4 | H4A | 118.1° | 118.6° |
| C2 | C4 | C5 | C6 | 54.7° | 55.9° |
| C2 | C4 | C5 | H5A | 175.3° | 66.1° |
| C2 | C4 | C5 | H5 | 65.9° | 176.1° |
| C4 | C2 | C15 | C13 | 53.4° | 58.9° |
| C4 | C2 | C15 | H15 | 174.2° | 178.7° |
| C4 | C2 | C15 | H15A | 67.4° | 61.3° |
| C2 | C3 | H3A | H3B | 120.0° | 120.0° |
| C2 | C3 | H3A | H3 | 120.0° | 120.0° |
| C2 | C3 | H3B | H3 | 120.0° | 120.0° |
| C3 | C2 | C4 | C5 | 172.0° | 175.0° |
| C3 | C2 | C4 | H4 | 51.4° | 53.9° |
| C3 | C2 | C4 | H4A | 67.4° | 64.2° |
| C3 | C2 | C15 | C13 | 172.4° | 177.3° |
| C3 | C2 | C15 | H15 | 66.7° | 60.4° |
| C3 | C2 | C15 | H15A | 51.6° | 57.0° |
| H3A | C3 | H3B | H3 | 120.0° | 120.0° |
| C5 | C4 | H4 | H4A | 118.2° | 119.4° |
| C4 | C5 | C6 | H5A | 120.6° | 122.5° |
| C4 | C5 | C6 | H5 | 120.6° | 120.5° |
| C4 | C5 | H5A | H5 | 118.1° | 118.7° |
| C4 | C5 | C6 | C37 | 172.4° | 174.2° |
| C4 | C5 | C6 | C7 | 71.0° | 66.2° |
| C4 | C5 | C6 | C13 | 51.6° | 54.8° |
| H4 | C4 | C5 | C6 | 65.9° | 65.0° |
| H4 | C4 | C5 | H5A | 54.8° | 173.1° |
| H4 | C4 | C5 | H5 | 173.5° | 55.3° |
| H4A | C4 | C5 | C6 | 175.3° | 176.4° |
| H4A | C4 | C5 | H5A | 64.1° | 54.4° |
| H4A | C4 | C5 | H5 | 54.7° | 63.4° |
| C6 | C5 | H5A | H5 | 118.1° | 117.7° |
| C5 | C6 | C37 | C7 | 118.7° | 120.4° |
| C5 | C6 | C37 | C13 | 119.8° | 120.1° |
| C5 | C6 | C7 | C13 | 123.0° | 121.9° |
| C5 | C6 | C7 | C8 | 180.0° | 176.6° |
| C5 | C6 | C7 | H7A | 59.4° | 56.8° |
| C5 | C6 | C7 | H7 | 59.5° | 61.6° |
| C5 | C6 | C13 | C11 | 178.1° | 178.8° |
| C5 | C6 | C13 | H13 | 66.4° | 62.4° |
| C5 | C6 | C13 | C15 | 49.9° | 55.9° |
| C5 | C6 | C37 | O38 | 112.8° | 120.0° |
| C5 | C6 | C37 | O39 | 67.0° | 60.0° |
| H5A | C5 | C6 | C37 | 67.0° | 51.6° |
| H5A | C5 | C6 | C7 | 49.7° | 171.3° |
| H5A | C5 | C6 | C13 | 172.2° | 67.7° |
| H5 | C5 | C6 | C37 | 51.7° | 65.4° |
| H5 | C5 | C6 | C7 | 168.4° | 54.3° |
| H5 | C5 | C6 | C13 | 69.1° | 175.3° |
| C37 | C6 | C7 | C13 | 123.0° | 119.7° |
| C37 | C6 | C7 | C8 | 66.1° | 58.1° |
| C37 | C6 | C7 | H7A | 173.3° | 61.6° |
| C37 | C6 | C7 | H7 | 54.5° | 180.0° |
| C37 | C6 | C13 | C11 | 66.1° | 60.6° |
| C37 | C6 | C13 | H13 | 49.3° | 55.8° |
| C37 | C6 | C13 | C15 | 165.7° | 174.1° |
| C6 | C37 | O38 | O39 | 179.7° | 180.0° |
| C6 | C37 | O39 | HO39 | 179.7° | 179.9° |
| C6 | C7 | C8 | H7A | 120.6° | 119.9° |
| C6 | C7 | C8 | H7 | 120.6° | 121.9° |
| C6 | C7 | H7A | H7 | 118.3° | 119.6° |
| C6 | C7 | C8 | H8A | 175.6° | 71.0° |
| C6 | C7 | C8 | C9 | 55.0° | 54.8° |
| C6 | C7 | C8 | H8 | 65.7° | 174.0° |
| C7 | C6 | C13 | C11 | 54.7° | 59.2° |
| C7 | C6 | C13 | H13 | 170.2° | 175.6° |
| C7 | C6 | C13 | C15 | 73.5° | 66.1° |
| C7 | C6 | C37 | O38 | 128.6° | 119.6° |
| C7 | C6 | C37 | O39 | 51.7° | 60.4° |
| C13 | C6 | C7 | C8 | 57.0° | 61.5° |
| C13 | C6 | C7 | H7A | 63.6° | 178.7° |
| C13 | C6 | C7 | H7 | 177.5° | 60.3° |
| C6 | C13 | C11 | C9 | 52.9° | 52.2° |
| C6 | C13 | C11 | H11 | 64.3° | 69.7° |
| C6 | C13 | C11 | C16 | 179.0° | 174.7° |
| C6 | C13 | C11 | H13 | 115.4° | 116.4° |
| C6 | C13 | C11 | C15 | 126.6° | 123.6° |
| C6 | C13 | H13 | C15 | 119.3° | 119.3° |
| C6 | C13 | C15 | H15 | 174.0° | 179.9° |
| C6 | C13 | C15 | H15A | 67.6° | 58.7° |
| C13 | C6 | C37 | O38 | 7.0° | 0.1° |
| C13 | C6 | C37 | O39 | 173.3° | 180.0° |
| C8 | C7 | H7A | H7 | 118.2° | 119.3° |
| C7 | C8 | H8A | C9 | 124.0° | 125.7° |
| C7 | C8 | H8A | H8 | 118.0° | 115.7° |
| C7 | C8 | C9 | H8 | 120.7° | 118.8° |
| C7 | C8 | C9 | C20 | 165.4° | 168.8° |
| C7 | C8 | C9 | C11 | 48.4° | 45.6° |
| C7 | C8 | C9 | C10 | 74.4° | 75.0° |
| H7A | C7 | C8 | H8A | 55.0° | 48.9° |
| H7A | C7 | C8 | C9 | 65.6° | 174.6° |
| H7A | C7 | C8 | H8 | 173.7° | 66.1° |
| H7 | C7 | C8 | H8A | 63.8° | 167.2° |
| H7 | C7 | C8 | C9 | 175.5° | 67.1° |
| H7 | C7 | C8 | H8 | 54.9° | 52.1° |
| H8A | C8 | C9 | H8 | 118.7° | 117.5° |
| H8A | C8 | C9 | C20 | 73.9° | 45.0° |
| H8A | C8 | C9 | C11 | 169.1° | 78.2° |
| H8A | C8 | C9 | C10 | 46.3° | 161.2° |
| C8 | C9 | C20 | C11 | 119.3° | 125.4° |
| C8 | C9 | C20 | C10 | 119.0° | 117.7° |
| C8 | C9 | C11 | C10 | 119.9° | 120.4° |
| C8 | C9 | C10 | H10B | 180.0° | 52.2° |
| C8 | C9 | C10 | H10 | 60.0° | 67.8° |
| C8 | C9 | C10 | H10A | 60.0° | 172.3° |
| C8 | C9 | C11 | H11 | 68.5° | 75.5° |
| C8 | C9 | C11 | C16 | 177.6° | 170.6° |
| C8 | C9 | C11 | C13 | 48.8° | 45.4° |
| C8 | C9 | C20 | C19 | 178.6° | 176.2° |
| C8 | C9 | C20 | C21 | 64.8° | 58.1° |
| C8 | C9 | C20 | C22 | 54.5° | 59.1° |
| H8 | C8 | C9 | C20 | 44.8° | 72.4° |
| H8 | C8 | C9 | C11 | 72.3° | 164.4° |
| H8 | C8 | C9 | C10 | 165.0° | 43.8° |
| C20 | C9 | C11 | C10 | 120.0° | 115.1° |
| C20 | C9 | C10 | H10B | 59.0° | 172.0° |
| C20 | C9 | C10 | H10 | 179.1° | 52.0° |
| C20 | C9 | C10 | H10A | 61.0° | 67.9° |
| C20 | C9 | C11 | H11 | 51.5° | 49.1° |
| C20 | C9 | C11 | C16 | 62.4° | 64.8° |
| C20 | C9 | C11 | C13 | 168.9° | 170.0° |
| C9 | C20 | C19 | C18 | 31.4° | 18.1° |
| C9 | C20 | C19 | C33 | 149.8° | 162.8° |
| C9 | C20 | C19 | C21 | 120.8° | 118.0° |
| C9 | C20 | C19 | C22 | 122.3° | 123.6° |
| C9 | C20 | C21 | C22 | 121.0° | 118.7° |
| C9 | C20 | C21 | H21 | 180.0° | 65.3° |
| C9 | C20 | C21 | H21B | 60.0° | 54.8° |
| C9 | C20 | C21 | H21A | 60.0° | 174.8° |
| C9 | C20 | C22 | C23 | 160.7° | 172.4° |
| C9 | C20 | C22 | H22A | 40.1° | 68.3° |
| C9 | C20 | C22 | H22 | 78.7° | 52.7° |
| C11 | C9 | C10 | H10B | 58.9° | 71.0° |
| C11 | C9 | C10 | H10 | 61.2° | 169.0° |
| C11 | C9 | C10 | H10A | 178.9° | 49.1° |
| C9 | C11 | H11 | C16 | 115.2° | 114.6° |
| C9 | C11 | H11 | C13 | 123.5° | 125.7° |
| C9 | C11 | C16 | C13 | 129.9° | 127.2° |
| C9 | C11 | C13 | H13 | 168.3° | 168.6° |
| C9 | C11 | C13 | C15 | 73.6° | 71.4° |
| C9 | C11 | C16 | C18 | 33.2° | 47.4° |
| C9 | C11 | C16 | O17 | 147.2° | 133.6° |
| C11 | C9 | C20 | C19 | 62.1° | 50.8° |
| C11 | C9 | C20 | C21 | 54.5° | 67.4° |
| C11 | C9 | C20 | C22 | 173.8° | 175.5° |
| C9 | C10 | H10B | H10 | 120.0° | 120.0° |
| C9 | C10 | H10B | H10A | 120.0° | 120.0° |
| C9 | C10 | H10 | H10A | 120.0° | 120.0° |
| C10 | C9 | C11 | H11 | 171.6° | 164.2° |
| C10 | C9 | C11 | C16 | 57.6° | 50.3° |
| C10 | C9 | C11 | C13 | 71.1° | 75.0° |
| C10 | C9 | C20 | C19 | 59.6° | 66.1° |
| C10 | C9 | C20 | C21 | 176.2° | 175.8° |
| C10 | C9 | C20 | C22 | 64.5° | 58.6° |
| H10B | C10 | H10 | H10A | 120.0° | 120.0° |
| H11 | C11 | C16 | C13 | 116.5° | 116.5° |
| H11 | C11 | C13 | H13 | 51.1° | 46.7° |
| H11 | C11 | C13 | C15 | 169.2° | 166.7° |
| H11 | C11 | C16 | C18 | 80.4° | 68.8° |
| H11 | C11 | C16 | O17 | 99.1° | 110.2° |
| C16 | C11 | C13 | H13 | 65.6° | 68.9° |
| C16 | C11 | C13 | C15 | 52.4° | 51.1° |
| C11 | C16 | C18 | O17 | 179.5° | 179.0° |
| C11 | C16 | C18 | C19 | 0.6° | 15.5° |
| C11 | C16 | C18 | H18 | 179.4° | 164.5° |
| C11 | C13 | H13 | C15 | 122.9° | 122.8° |
| C11 | C13 | C15 | H15 | 60.1° | 56.6° |
| C11 | C13 | C15 | H15A | 58.3° | 64.6° |
| C13 | C11 | C16 | C18 | 163.1° | 174.7° |
| C13 | C11 | C16 | O17 | 17.4° | 6.3° |
| H13 | C13 | C15 | H15 | 57.9° | 62.6° |
| H13 | C13 | C15 | H15A | 176.3° | 176.2° |
| C13 | C15 | H15 | H15A | 117.5° | 122.0° |
| C16 | C18 | C19 | H18 | 180.0° | 180.0° |
| C16 | C18 | C19 | C33 | 179.0° | 179.1° |
| C16 | C18 | C19 | C20 | 0.2° | 0.1° |
| O17 | C16 | C18 | C19 | 179.9° | 165.5° |
| O17 | C16 | C18 | H18 | 0.1° | 14.6° |
| C18 | C19 | C33 | C20 | 178.8° | 179.2° |
| C18 | C19 | C20 | C21 | 89.4° | 100.0° |
| C18 | C19 | C20 | C22 | 153.7° | 141.7° |
| C18 | C19 | C33 | C24 | 148.6° | 138.8° |
| C18 | C19 | C33 | C32 | 31.2° | 21.5° |
| C18 | C19 | C33 | C34 | 86.1° | 97.2° |
| H18 | C18 | C19 | C33 | 1.0° | 0.9° |
| H18 | C18 | C19 | C20 | 179.8° | 179.9° |
| C33 | C19 | C20 | C21 | 89.4° | 79.1° |
| C33 | C19 | C20 | C22 | 27.5° | 39.2° |
| C19 | C33 | C24 | C23 | 48.9° | 54.8° |
| C19 | C33 | C24 | C26 | 179.9° | 178.2° |
| C19 | C33 | C24 | C32 | 121.2° | 117.7° |
| C19 | C33 | C24 | C34 | 120.1° | 122.4° |
| C19 | C33 | C24 | H24 | 64.1° | 60.2° |
| C19 | C33 | C32 | C31 | 176.3° | 175.5° |
| C19 | C33 | C32 | C34 | 115.8° | 119.5° |
| C19 | C33 | C32 | H32 | 56.2° | 55.5° |
| C19 | C33 | C32 | H32A | 63.5° | 66.2° |
| C19 | C33 | C34 | H34A | 180.0° | 51.9° |
| C19 | C33 | C34 | H34B | 60.0° | 171.8° |
| C19 | C33 | C34 | H34 | 60.0° | 68.2° |
| C19 | C20 | C21 | C22 | 120.8° | 121.0° |
| C19 | C20 | C21 | H21 | 61.8° | 55.1° |
| C19 | C20 | C21 | H21B | 178.1° | 175.2° |
| C19 | C20 | C21 | H21A | 58.1° | 64.9° |
| C19 | C20 | C22 | C23 | 39.3° | 48.0° |
| C19 | C20 | C22 | H22A | 81.3° | 167.3° |
| C19 | C20 | C22 | H22 | 159.9° | 71.7° |
| C20 | C19 | C33 | C24 | 32.6° | 42.1° |
| C20 | C19 | C33 | C32 | 150.1° | 159.3° |
| C20 | C19 | C33 | C34 | 92.7° | 82.0° |
| C20 | C21 | H21 | H21B | 120.0° | 120.0° |
| C20 | C21 | H21 | H21A | 120.0° | 119.9° |
| C20 | C21 | H21B | H21A | 120.0° | 119.9° |
| C21 | C20 | C22 | C23 | 76.9° | 70.4° |
| C21 | C20 | C22 | H22A | 162.5° | 48.8° |
| C21 | C20 | C22 | H22 | 43.8° | 169.9° |
| C22 | C20 | C21 | H21 | 59.0° | 176.1° |
| C22 | C20 | C21 | H21B | 61.0° | 63.9° |
| C22 | C20 | C21 | H21A | 179.0° | 56.1° |
| C20 | C22 | C23 | H22A | 120.6° | 119.9° |
| C20 | C22 | C23 | H22 | 120.6° | 122.7° |
| C20 | C22 | H22A | H22 | 118.0° | 123.2° |
| C20 | C22 | C23 | H23A | 179.6° | 59.0° |
| C20 | C22 | C23 | H23 | 60.9° | 178.5° |
| C20 | C22 | C23 | C24 | 59.4° | 63.4° |
| H21 | C21 | H21B | H21A | 120.0° | 120.0° |
| C23 | C22 | H22A | H22 | 118.0° | 116.3° |
| C22 | C23 | H23A | H23 | 119.2° | 118.3° |
| C22 | C23 | H23A | C24 | 121.5° | 119.8° |
| C22 | C23 | H23 | C24 | 121.5° | 116.9° |
| C22 | C23 | C24 | C26 | 162.7° | 164.5° |
| C22 | C23 | C24 | C33 | 63.9° | 67.7° |
| C22 | C23 | C24 | H24 | 48.8° | 47.6° |
| H22A | C22 | C23 | H23A | 59.0° | 60.9° |
| H22A | C22 | C23 | H23 | 178.5° | 58.6° |
| H22A | C22 | C23 | C24 | 61.3° | 176.7° |
| H22 | C22 | C23 | H23A | 59.7° | 178.2° |
| H22 | C22 | C23 | H23 | 59.7° | 58.8° |
| H22 | C22 | C23 | C24 | 180.0° | 59.4° |
| H23A | C23 | H23 | C24 | 119.3° | 123.4° |
| H23A | C23 | C24 | C26 | 42.4° | 74.3° |
| H23A | C23 | C24 | C33 | 175.8° | 53.5° |
| H23A | C23 | C24 | H24 | 71.5° | 168.8° |
| H23 | C23 | C24 | C26 | 77.0° | 47.6° |
| H23 | C23 | C24 | C33 | 56.3° | 175.4° |
| H23 | C23 | C24 | H24 | 169.1° | 69.3° |
| C23 | C24 | C26 | C33 | 130.0° | 125.7° |
| C23 | C24 | C26 | H24 | 114.2° | 116.5° |
| C23 | C24 | C33 | H24 | 113.0° | 115.0° |
| C23 | C24 | C26 | C28 | 39.0° | 32.6° |
| C23 | C24 | C26 | C29 | 160.3° | 156.1° |
| C23 | C24 | C26 | C27 | 80.6° | 85.7° |
| C23 | C24 | C33 | C32 | 170.1° | 172.5° |
| C23 | C24 | C33 | C34 | 71.2° | 67.6° |
| C26 | C24 | C33 | H24 | 115.8° | 118.0° |
| C24 | C26 | C28 | C29 | 122.6° | 125.2° |
| C24 | C26 | C28 | C27 | 120.7° | 118.8° |
| C24 | C26 | C29 | C27 | 119.9° | 118.8° |
| C24 | C26 | C27 | H27 | 180.0° | 180.0° |
| C24 | C26 | C27 | H27B | 60.0° | 60.0° |
| C24 | C26 | C27 | H27A | 60.0° | 60.0° |
| C24 | C26 | C28 | H28A | 180.0° | 180.0° |
| C24 | C26 | C28 | H28B | 60.0° | 60.0° |
| C24 | C26 | C28 | H28 | 60.0° | 60.0° |
| C24 | C26 | C29 | O30 | 179.1° | 178.9° |
| C24 | C26 | C29 | C31 | 1.0° | 1.1° |
| C26 | C24 | C33 | C32 | 58.7° | 60.6° |
| C26 | C24 | C33 | C34 | 60.0° | 59.4° |
| C33 | C24 | C26 | C28 | 90.9° | 93.1° |
| C33 | C24 | C26 | C29 | 30.4° | 30.4° |
| C33 | C24 | C26 | C27 | 149.4° | 148.6° |
| C24 | C33 | C32 | C31 | 55.3° | 57.5° |
| C24 | C33 | C32 | C34 | 123.2° | 122.5° |
| C24 | C33 | C32 | H32 | 64.8° | 62.5° |
| C24 | C33 | C32 | H32A | 175.5° | 175.8° |
| C24 | C33 | C34 | H34A | 56.9° | 173.7° |
| C24 | C33 | C34 | H34B | 63.1° | 66.3° |
| C24 | C33 | C34 | H34 | 176.9° | 53.7° |
| H24 | C24 | C26 | C28 | 153.2° | 149.1° |
| H24 | C24 | C26 | C29 | 85.5° | 87.4° |
| H24 | C24 | C26 | C27 | 33.5° | 30.8° |
| H24 | C24 | C33 | C32 | 57.1° | 57.4° |
| H24 | C24 | C33 | C34 | 175.9° | 177.4° |
| C28 | C26 | C29 | C27 | 116.5° | 116.2° |
| C28 | C26 | C27 | H27 | 57.5° | 58.8° |
| C28 | C26 | C27 | H27B | 177.5° | 61.2° |
| C28 | C26 | C27 | H27A | 62.5° | 178.8° |
| C26 | C28 | H28A | H28B | 120.0° | 120.1° |
| C26 | C28 | H28A | H28 | 120.0° | 119.9° |
| C26 | C28 | H28B | H28 | 120.0° | 120.0° |
| C28 | C26 | C29 | O30 | 55.4° | 53.9° |
| C28 | C26 | C29 | C31 | 124.6° | 126.0° |
| C29 | C26 | C27 | H27 | 59.5° | 58.6° |
| C29 | C26 | C27 | H27B | 60.6° | 178.6° |
| C29 | C26 | C27 | H27A | 179.5° | 61.4° |
| C29 | C26 | C28 | H28A | 57.4° | 54.8° |
| C29 | C26 | C28 | H28B | 177.4° | 174.9° |
| C29 | C26 | C28 | H28 | 62.6° | 65.2° |
| C26 | C29 | O30 | C31 | 179.9° | 179.9° |
| C26 | C29 | O30 | HO30 | 180.0° | 180.0° |
| C26 | C29 | C31 | C35 | 179.9° | 179.1° |
| C26 | C29 | C31 | C32 | 0.2° | 0.8° |
| C26 | C27 | H27 | H27B | 120.0° | 120.0° |
| C26 | C27 | H27 | H27A | 120.0° | 120.0° |
| C26 | C27 | H27B | H27A | 120.0° | 120.1° |
| C27 | C26 | C28 | H28A | 59.3° | 61.2° |
| C27 | C26 | C28 | H28B | 60.7° | 58.8° |
| C27 | C26 | C28 | H28 | 179.3° | 178.8° |
| C27 | C26 | C29 | O30 | 61.1° | 62.3° |
| C27 | C26 | C29 | C31 | 118.9° | 117.7° |
| H27 | C27 | H27B | H27A | 120.0° | 119.9° |
| H28A | C28 | H28B | H28 | 120.0° | 120.0° |
| O30 | C29 | C31 | C35 | 0.1° | 0.9° |
| O30 | C29 | C31 | C32 | 179.9° | 179.1° |
| C31 | C29 | O30 | HO30 | 0.1° | 0.1° |
| C29 | C31 | C35 | C32 | 180.0° | 180.0° |
| C29 | C31 | C32 | C33 | 30.4° | 29.5° |
| C29 | C31 | C32 | H32 | 89.8° | 90.5° |
| C29 | C31 | C32 | H32A | 150.5° | 148.1° |
| C29 | C31 | C35 | N36 | 177.2° | 46.3° |
| C35 | C31 | C32 | C33 | 149.6° | 150.6° |
| C35 | C31 | C32 | H32 | 90.3° | 89.5° |
| C35 | C31 | C32 | H32A | 29.5° | 31.9° |
| C31 | C32 | C33 | H32 | 120.1° | 120.1° |
| C31 | C32 | C33 | H32A | 120.2° | 118.3° |
| C31 | C32 | H32 | H32A | 119.6° | 120.1° |
| C31 | C32 | C33 | C34 | 67.9° | 64.9° |
| C32 | C31 | C35 | N36 | 2.9° | 133.7° |
| C33 | C32 | H32 | H32A | 119.5° | 120.8° |
| C32 | C33 | C34 | H34A | 60.3° | 66.8° |
| C32 | C33 | C34 | H34B | 179.7° | 53.2° |
| C32 | C33 | C34 | H34 | 59.7° | 173.1° |
| H32 | C32 | C33 | C34 | 172.0° | 175.0° |
| H32A | C32 | C33 | C34 | 52.3° | 53.3° |
| C33 | C34 | H34A | H34B | 120.0° | 119.9° |
| C33 | C34 | H34A | H34 | 120.0° | 120.0° |
| C33 | C34 | H34B | H34 | 120.0° | 120.0° |
| H34A | C34 | H34B | H34 | 120.0° | 120.1° |
| O38 | C37 | O39 | HO39 | 0.0° | 0.1° |
