CXT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| O2 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | C5 | sing | 1.43Å | 1.43Å | |
| O4 | S1 | sing | 1.52Å | 1.53Å | |
| S1 | O7 | doub | 1.42Å | 1.48Å | |
| S1 | O6 | doub | 1.42Å | 1.48Å | |
| S1 | O8 | sing | 1.52Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | O3 | sing | 1.45Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | C22 | sing | 1.44Å | 1.42Å | |
| O11 | S2 | doub | 1.42Å | 1.48Å | |
| O9 | S2 | doub | 1.42Å | 1.48Å | |
| S2 | O5 | sing | 1.52Å | 1.54Å | |
| S2 | O10 | sing | 1.52Å | 1.48Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | O4 | sing | 1.43Å | 1.42Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | C7 | sing | 1.34Å | 1.45Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | O5 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O12 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O13 | C7 | doub | 1.21Å | 1.22Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C11 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| C30 | C21 | sing | 1.54Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C35 | O21 | sing | 1.43Å | 1.43Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| C22 | C23 | sing | 1.52Å | 1.53Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | O22 | sing | 1.34Å | 1.25Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.10Å | 1.10Å | |
| O23 | C37 | doub | 1.21Å | 1.25Å | |
| C25 | C24 | sing | 1.51Å | 1.55Å | |
| C24 | C37 | sing | 1.50Å | 1.51Å | |
| C24 | C38 | sing | 1.53Å | 1.50Å | |
| C38 | O24 | sing | 1.34Å | 1.25Å | |
| O24 | HO24 | sing | 0.97Å | 0.95Å | |
| C30 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | H25 | sing | 1.12Å | 1.10Å | |
| C38 | O25 | doub | 1.21Å | 1.25Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C28 | C27 | sing | 1.51Å | 1.53Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C34 | C28 | sing | 1.54Å | 1.53Å | |
| C35 | C28 | sing | 1.55Å | 1.52Å | |
| C29 | C28 | sing | 1.52Å | 1.54Å | |
| C31 | C29 | sing | 1.52Å | 1.54Å | |
| C29 | C30 | sing | 1.52Å | 1.54Å | |
| C29 | H29 | sing | 1.12Å | 1.10Å | |
| C39 | C30 | sing | 1.52Å | 1.53Å | |
| C32 | C31 | sing | 1.52Å | 1.53Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.10Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.10Å | 1.10Å | |
| C33 | C36 | sing | 1.52Å | 1.49Å | |
| C33 | C34 | sing | 1.55Å | 1.51Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.10Å | 1.10Å | |
| C34 | H34A | sing | 1.08Å | 1.10Å | |
| C36 | C35 | sing | 1.52Å | 1.49Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | C36 | doub | 1.31Å | 1.32Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C40 | H40A | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 108.9° | 109.5° |
| O1 | C1 | C2 | 110.2° | 109.5° |
| O1 | C1 | H1 | 110.8° | 109.5° |
| C1 | O1 | C5 | 113.5° | 114.1° |
| O2 | C1 | C2 | 106.7° | 109.5° |
| O2 | C1 | H1 | 110.8° | 109.5° |
| C1 | O2 | C22 | 113.6° | 114.0° |
| C2 | C1 | H1 | 109.4° | 109.4° |
| C1 | C2 | C3 | 111.3° | 109.2° |
| C1 | C2 | O3 | 107.4° | 109.6° |
| C1 | C2 | H2 | 108.9° | 109.5° |
| O1 | C5 | C4 | 110.4° | 109.4° |
| O1 | C5 | C6 | 107.5° | 109.5° |
| O1 | C5 | H5 | 110.1° | 109.5° |
| O4 | S1 | O7 | 109.2° | 106.4° |
| O4 | S1 | O6 | 109.6° | 106.4° |
| O4 | S1 | O8 | 109.3° | 107.2° |
| S1 | O4 | C3 | 120.5° | 114.1° |
| O7 | S1 | O6 | 109.6° | 123.2° |
| O7 | S1 | O8 | 109.8° | 106.4° |
| O6 | S1 | O8 | 109.4° | 106.4° |
| S1 | O8 | HO8 | 109.5° | 114.0° |
| C3 | C2 | O3 | 110.2° | 109.5° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C2 | C3 | C4 | 111.3° | 109.1° |
| C2 | C3 | O4 | 109.7° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| O3 | C2 | H2 | 110.2° | 109.6° |
| C2 | O3 | C7 | 112.4° | 117.0° |
| O2 | C22 | C21 | 107.4° | 108.6° |
| O2 | C22 | C23 | 109.3° | 108.8° |
| O2 | C22 | H22 | 111.1° | 107.9° |
| O11 | S2 | O9 | 109.9° | 123.2° |
| O11 | S2 | O5 | 108.6° | 106.4° |
| O11 | S2 | O10 | 109.5° | 106.4° |
| O9 | S2 | O5 | 110.9° | 106.4° |
| O9 | S2 | O10 | 109.0° | 106.4° |
| O5 | S2 | O10 | 109.0° | 107.2° |
| S2 | O5 | C4 | 121.7° | 114.0° |
| S2 | O10 | HO10 | 109.5° | 114.0° |
| C4 | C3 | O4 | 108.2° | 109.5° |
| C4 | C3 | H3 | 108.8° | 109.6° |
| C3 | C4 | C5 | 110.8° | 109.1° |
| C3 | C4 | O5 | 107.4° | 109.6° |
| C3 | C4 | H4 | 108.9° | 109.6° |
| O4 | C3 | H3 | 110.1° | 109.5° |
| O3 | C7 | O13 | 119.6° | 120.0° |
| O3 | C7 | C8 | 119.6° | 120.0° |
| C5 | C4 | O5 | 110.8° | 109.5° |
| C5 | C4 | H4 | 108.8° | 109.6° |
| C4 | C5 | C6 | 111.2° | 109.5° |
| C4 | C5 | H5 | 108.8° | 109.5° |
| O5 | C4 | H4 | 110.2° | 109.5° |
| C6 | C5 | H5 | 108.9° | 109.5° |
| C5 | C6 | O12 | 108.9° | 109.5° |
| C5 | C6 | H6 | 109.6° | 109.5° |
| C5 | C6 | H6A | 109.6° | 109.5° |
| O12 | C6 | H6 | 109.6° | 109.5° |
| O12 | C6 | H6A | 109.6° | 109.5° |
| C6 | O12 | HO12 | 109.5° | 114.0° |
| H6 | C6 | H6A | 109.5° | 109.4° |
| O13 | C7 | C8 | 120.8° | 120.0° |
| C7 | C8 | C9 | 108.5° | 109.5° |
| C7 | C8 | H8 | 109.7° | 109.5° |
| C7 | C8 | H8A | 109.7° | 109.4° |
| C9 | C8 | H8 | 109.7° | 109.5° |
| C9 | C8 | H8A | 109.7° | 109.5° |
| C8 | C9 | C11 | 110.9° | 109.5° |
| C8 | C9 | C10 | 111.2° | 109.5° |
| C8 | C9 | H9 | 107.9° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| C11 | C9 | C10 | 110.9° | 109.5° |
| C11 | C9 | H9 | 107.9° | 109.4° |
| C9 | C11 | H11 | 109.5° | 109.5° |
| C9 | C11 | H11A | 109.4° | 109.5° |
| C9 | C11 | H11B | 109.4° | 109.4° |
| C10 | C9 | H9 | 107.9° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.4° |
| C9 | C10 | H10A | 109.5° | 109.5° |
| C9 | C10 | H10B | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.4° | 109.5° |
| H10 | C10 | H10B | 109.4° | 109.4° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | H11B | 109.5° | 109.4° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| C30 | C21 | C22 | 111.8° | 109.7° |
| C30 | C21 | H21 | 108.9° | 109.4° |
| C30 | C21 | H21A | 108.9° | 108.9° |
| C21 | C30 | C25 | 107.7° | 108.1° |
| C21 | C30 | C29 | 106.0° | 108.2° |
| C21 | C30 | C39 | 107.6° | 108.3° |
| C22 | C21 | H21 | 108.9° | 109.5° |
| C22 | C21 | H21A | 108.9° | 109.7° |
| C21 | C22 | C23 | 109.9° | 110.2° |
| C21 | C22 | H22 | 109.6° | 110.9° |
| H21 | C21 | H21A | 109.4° | 109.7° |
| C35 | O21 | HO21 | 109.5° | 114.0° |
| O21 | C35 | C28 | 109.9° | 109.6° |
| O21 | C35 | C36 | 109.1° | 110.7° |
| O21 | C35 | H35 | 112.8° | 110.8° |
| C23 | C22 | H22 | 109.6° | 110.4° |
| C22 | C23 | C24 | 112.3° | 112.3° |
| C22 | C23 | H23 | 108.7° | 109.4° |
| C22 | C23 | H23A | 108.7° | 109.2° |
| C37 | O22 | HO22 | 109.5° | 116.9° |
| O22 | C37 | O23 | 121.5° | 120.0° |
| O22 | C37 | C24 | 117.3° | 120.0° |
| C24 | C23 | H23 | 108.8° | 109.0° |
| C24 | C23 | H23A | 108.8° | 108.8° |
| C23 | C24 | C25 | 109.6° | 112.1° |
| C23 | C24 | C37 | 108.0° | 110.3° |
| C23 | C24 | C38 | 107.8° | 105.9° |
| H23 | C23 | H23A | 109.5° | 108.1° |
| O23 | C37 | C24 | 121.1° | 120.0° |
| C25 | C24 | C37 | 118.0° | 113.4° |
| C25 | C24 | C38 | 106.8° | 107.8° |
| C24 | C25 | C30 | 115.0° | 115.2° |
| C24 | C25 | C26 | 115.2° | 112.8° |
| C24 | C25 | H25 | 104.7° | 106.4° |
| C37 | C24 | C38 | 106.2° | 106.7° |
| C24 | C38 | O24 | 118.1° | 120.0° |
| C24 | C38 | O25 | 118.7° | 120.0° |
| C38 | O24 | HO24 | 109.5° | 117.0° |
| O24 | C38 | O25 | 123.2° | 120.1° |
| C30 | C25 | C26 | 110.8° | 110.4° |
| C30 | C25 | H25 | 104.9° | 105.7° |
| C25 | C30 | C29 | 108.8° | 108.7° |
| C25 | C30 | C39 | 114.0° | 112.9° |
| C26 | C25 | H25 | 104.9° | 105.7° |
| C25 | C26 | C27 | 109.3° | 108.6° |
| C25 | C26 | H26 | 109.5° | 110.7° |
| C25 | C26 | H26A | 109.5° | 110.9° |
| C27 | C26 | H26 | 109.5° | 108.5° |
| C27 | C26 | H26A | 109.5° | 109.2° |
| C26 | C27 | C28 | 112.0° | 110.8° |
| C26 | C27 | H27 | 108.8° | 109.3° |
| C26 | C27 | H27A | 108.8° | 109.2° |
| H26 | C26 | H26A | 109.5° | 108.9° |
| C28 | C27 | H27 | 108.8° | 109.2° |
| C28 | C27 | H27A | 108.8° | 109.4° |
| C27 | C28 | C34 | 112.0° | 110.4° |
| C27 | C28 | C35 | 109.9° | 110.6° |
| C27 | C28 | C29 | 112.9° | 114.0° |
| H27 | C27 | H27A | 109.5° | 108.9° |
| C34 | C28 | C35 | 103.3° | 102.1° |
| C34 | C28 | C29 | 110.5° | 112.2° |
| C28 | C34 | C33 | 102.6° | 100.4° |
| C28 | C34 | H34 | 111.2° | 110.2° |
| C28 | C34 | H34A | 111.2° | 114.5° |
| C35 | C28 | C29 | 107.6° | 106.8° |
| C28 | C35 | C36 | 101.4° | 105.3° |
| C28 | C35 | H35 | 111.3° | 109.3° |
| C28 | C29 | C31 | 112.4° | 112.6° |
| C28 | C29 | C30 | 116.1° | 115.2° |
| C28 | C29 | H29 | 104.9° | 105.2° |
| C31 | C29 | C30 | 112.4° | 113.5° |
| C31 | C29 | H29 | 105.0° | 104.6° |
| C29 | C31 | C32 | 116.5° | 115.2° |
| C29 | C31 | H31 | 107.7° | 109.4° |
| C29 | C31 | H31A | 107.7° | 108.2° |
| C30 | C29 | H29 | 104.9° | 104.3° |
| C29 | C30 | C39 | 112.3° | 110.4° |
| C30 | C39 | H39 | 109.5° | 109.5° |
| C30 | C39 | H39A | 109.5° | 109.5° |
| C30 | C39 | H39B | 109.4° | 109.5° |
| C32 | C31 | H31 | 107.7° | 108.8° |
| C32 | C31 | H31A | 107.7° | 108.4° |
| C31 | C32 | C33 | 112.0° | 111.6° |
| C31 | C32 | H32 | 108.9° | 110.1° |
| C31 | C32 | H32A | 108.8° | 109.0° |
| H31 | C31 | H31A | 109.5° | 106.5° |
| C33 | C32 | H32 | 108.8° | 109.5° |
| C33 | C32 | H32A | 108.9° | 108.8° |
| C32 | C33 | C36 | 108.3° | 108.9° |
| C32 | C33 | C34 | 106.1° | 106.4° |
| C32 | C33 | H33 | 113.2° | 112.4° |
| H32 | C32 | H32A | 109.5° | 107.7° |
| C36 | C33 | C34 | 101.3° | 103.8° |
| C36 | C33 | H33 | 113.7° | 112.3° |
| C33 | C36 | C35 | 112.3° | 107.0° |
| C33 | C36 | C40 | 123.8° | 126.4° |
| C34 | C33 | H33 | 113.3° | 112.5° |
| C33 | C34 | H34 | 111.2° | 109.9° |
| C33 | C34 | H34A | 111.1° | 112.4° |
| H34 | C34 | H34A | 109.5° | 109.1° |
| C36 | C35 | H35 | 111.8° | 110.9° |
| C35 | C36 | C40 | 123.9° | 126.6° |
| C36 | C40 | H40 | 120.0° | 120.0° |
| C36 | C40 | H40A | 120.0° | 119.9° |
| H39 | C39 | H39A | 109.5° | 109.4° |
| H39 | C39 | H39B | 109.5° | 109.5° |
| H39A | C39 | H39B | 109.5° | 109.5° |
| H40 | C40 | H40A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 118.9° | 120.0° |
| O1 | C1 | O2 | H1 | 122.1° | 120.0° |
| O1 | C1 | C2 | H1 | 122.0° | 120.0° |
| O1 | C1 | C2 | C3 | 54.5° | 57.5° |
| O1 | C1 | C2 | O3 | 175.2° | 177.5° |
| O1 | C1 | C2 | H2 | 65.4° | 62.3° |
| O1 | C1 | O2 | C22 | 103.2° | 65.0° |
| C1 | O1 | C5 | C4 | 61.1° | 61.1° |
| C1 | O1 | C5 | C6 | 177.4° | 178.9° |
| C1 | O1 | C5 | H5 | 59.0° | 58.9° |
| O2 | C1 | C2 | H1 | 119.9° | 120.0° |
| O2 | C1 | O1 | C5 | 177.8° | 178.9° |
| O2 | C1 | C2 | C3 | 172.6° | 177.6° |
| O2 | C1 | C2 | O3 | 66.7° | 62.5° |
| O2 | C1 | C2 | H2 | 52.6° | 57.7° |
| C1 | O2 | C22 | C21 | 168.2° | 150.0° |
| C1 | O2 | C22 | C23 | 72.7° | 90.0° |
| C1 | O2 | C22 | H22 | 48.4° | 29.8° |
| C2 | C1 | O1 | C5 | 61.1° | 61.1° |
| C1 | C2 | C3 | O3 | 119.0° | 120.0° |
| C1 | C2 | C3 | H2 | 120.0° | 119.9° |
| C1 | C2 | O3 | H2 | 118.5° | 120.2° |
| C2 | C1 | O2 | C22 | 137.9° | 174.9° |
| C1 | C2 | C3 | C4 | 50.2° | 57.0° |
| C1 | C2 | C3 | O4 | 170.0° | 176.8° |
| C1 | C2 | C3 | H3 | 69.6° | 63.0° |
| C1 | C2 | O3 | C7 | 130.4° | 90.0° |
| H1 | C1 | O1 | C5 | 60.1° | 58.9° |
| H1 | C1 | C2 | C3 | 67.5° | 62.4° |
| H1 | C1 | C2 | O3 | 53.2° | 57.5° |
| H1 | C1 | C2 | H2 | 172.5° | 177.7° |
| H1 | C1 | O2 | C22 | 18.9° | 54.9° |
| O1 | C5 | C4 | C3 | 54.2° | 57.6° |
| O1 | C5 | C4 | C6 | 119.2° | 120.0° |
| O1 | C5 | C4 | H5 | 120.9° | 120.0° |
| O1 | C5 | C4 | O5 | 173.3° | 177.5° |
| O1 | C5 | C4 | H4 | 65.4° | 62.4° |
| O1 | C5 | C6 | H5 | 119.2° | 120.0° |
| O1 | C5 | C6 | O12 | 52.5° | 64.4° |
| O1 | C5 | C6 | H6 | 67.4° | 175.6° |
| O1 | C5 | C6 | H6A | 172.4° | 55.6° |
| O4 | S1 | O7 | O6 | 120.0° | 123.0° |
| O4 | S1 | O7 | O8 | 119.8° | 114.1° |
| O4 | S1 | O6 | O8 | 119.8° | 114.1° |
| S1 | O4 | C3 | C2 | 121.7° | 95.0° |
| S1 | O4 | C3 | C4 | 116.7° | 145.4° |
| S1 | O4 | C3 | H3 | 2.0° | 25.2° |
| O4 | S1 | O8 | HO8 | 120.0° | 180.0° |
| O7 | S1 | O6 | O8 | 120.4° | 122.9° |
| O7 | S1 | O4 | C3 | 175.5° | 38.5° |
| O7 | S1 | O8 | HO8 | 120.3° | 66.5° |
| O6 | S1 | O4 | C3 | 55.4° | 171.5° |
| O6 | S1 | O8 | HO8 | 0.0° | 66.5° |
| O8 | S1 | O4 | C3 | 64.5° | 75.0° |
| C3 | C2 | O3 | H2 | 120.1° | 120.1° |
| C2 | C3 | C4 | O4 | 120.6° | 119.9° |
| C2 | C3 | C4 | H3 | 119.8° | 119.9° |
| C2 | C3 | O4 | H3 | 119.7° | 120.1° |
| C3 | C2 | O3 | C7 | 108.2° | 150.3° |
| C2 | C3 | C4 | C5 | 49.9° | 57.0° |
| C2 | C3 | C4 | O5 | 171.0° | 176.9° |
| C2 | C3 | C4 | H4 | 69.7° | 63.0° |
| O3 | C2 | C3 | C4 | 169.3° | 176.9° |
| O3 | C2 | C3 | O4 | 71.0° | 63.2° |
| O3 | C2 | C3 | H3 | 49.5° | 56.9° |
| C2 | O3 | C7 | O13 | 18.1° | 0.0° |
| C2 | O3 | C7 | C8 | 162.8° | 180.0° |
| H2 | C2 | C3 | C4 | 69.8° | 62.9° |
| H2 | C2 | C3 | O4 | 50.0° | 57.0° |
| H2 | C2 | C3 | H3 | 170.4° | 177.1° |
| H2 | C2 | O3 | C7 | 12.0° | 30.2° |
| O2 | C22 | C21 | C30 | 179.5° | 178.7° |
| O2 | C22 | C21 | C23 | 118.8° | 119.1° |
| O2 | C22 | C21 | H22 | 120.7° | 118.3° |
| O2 | C22 | C21 | H21 | 59.1° | 58.7° |
| O2 | C22 | C21 | H21A | 60.2° | 61.8° |
| O2 | C22 | C23 | H22 | 121.9° | 118.2° |
| O2 | C22 | C23 | C24 | 174.7° | 174.6° |
| O2 | C22 | C23 | H23 | 54.3° | 53.5° |
| O2 | C22 | C23 | H23A | 64.9° | 64.6° |
| O11 | S2 | O9 | O5 | 120.1° | 123.0° |
| O11 | S2 | O9 | O10 | 119.9° | 122.9° |
| O11 | S2 | O5 | O10 | 119.2° | 113.5° |
| O11 | S2 | O5 | C4 | 81.0° | 171.9° |
| O11 | S2 | O10 | HO10 | 120.2° | 66.5° |
| O9 | S2 | O5 | O10 | 120.0° | 113.5° |
| O9 | S2 | O5 | C4 | 39.8° | 38.9° |
| O9 | S2 | O10 | HO10 | 0.0° | 66.4° |
| S2 | O5 | C4 | C3 | 116.8° | 106.0° |
| S2 | O5 | C4 | C5 | 122.1° | 134.3° |
| S2 | O5 | C4 | H4 | 1.7° | 14.2° |
| O5 | S2 | O10 | HO10 | 121.1° | 180.0° |
| O10 | S2 | O5 | C4 | 159.8° | 74.6° |
| C4 | C3 | O4 | H3 | 118.7° | 120.3° |
| C3 | C4 | C5 | O5 | 119.0° | 119.9° |
| C3 | C4 | C5 | H4 | 119.7° | 120.0° |
| C3 | C4 | O5 | H4 | 118.5° | 120.2° |
| C3 | C4 | C5 | C6 | 173.4° | 177.6° |
| C3 | C4 | C5 | H5 | 66.7° | 62.4° |
| O4 | C3 | C4 | C5 | 170.5° | 176.9° |
| O4 | C3 | C4 | O5 | 68.4° | 63.2° |
| O4 | C3 | C4 | H4 | 50.9° | 56.9° |
| H3 | C3 | C4 | C5 | 70.0° | 62.9° |
| H3 | C3 | C4 | O5 | 51.1° | 56.9° |
| H3 | C3 | C4 | H4 | 170.5° | 177.1° |
| O3 | C7 | O13 | C8 | 179.1° | 180.0° |
| O3 | C7 | C8 | C9 | 114.5° | 180.0° |
| O3 | C7 | C8 | H8 | 125.7° | 59.9° |
| O3 | C7 | C8 | H8A | 5.4° | 60.0° |
| C5 | C4 | O5 | H4 | 120.5° | 120.1° |
| C4 | C5 | C6 | H5 | 119.8° | 120.0° |
| C4 | C5 | C6 | O12 | 68.5° | 175.6° |
| C4 | C5 | C6 | H6 | 171.6° | 55.6° |
| C4 | C5 | C6 | H6A | 51.4° | 64.4° |
| O5 | C4 | C5 | C6 | 67.5° | 62.5° |
| O5 | C4 | C5 | H5 | 52.3° | 57.5° |
| H4 | C4 | C5 | C6 | 53.8° | 57.6° |
| H4 | C4 | C5 | H5 | 173.6° | 177.6° |
| C5 | C6 | O12 | H6 | 119.9° | 120.1° |
| C5 | C6 | O12 | H6A | 119.9° | 120.0° |
| C5 | C6 | H6 | H6A | 120.3° | 120.0° |
| C5 | C6 | O12 | HO12 | 180.0° | 180.0° |
| H5 | C5 | C6 | O12 | 171.7° | 55.6° |
| H5 | C5 | C6 | H6 | 51.8° | 64.4° |
| H5 | C5 | C6 | H6A | 68.4° | 175.6° |
| O12 | C6 | H6 | H6A | 120.3° | 120.0° |
| H6 | C6 | O12 | HO12 | 60.1° | 60.0° |
| H6A | C6 | O12 | HO12 | 60.1° | 60.0° |
| O13 | C7 | C8 | C9 | 64.7° | 0.0° |
| O13 | C7 | C8 | H8 | 55.2° | 120.0° |
| O13 | C7 | C8 | H8A | 175.5° | 120.0° |
| C7 | C8 | C9 | H8 | 119.9° | 120.0° |
| C7 | C8 | C9 | H8A | 119.8° | 120.0° |
| C7 | C8 | H8 | H8A | 120.4° | 120.0° |
| C7 | C8 | C9 | C11 | 46.1° | 175.0° |
| C7 | C8 | C9 | C10 | 170.1° | 65.0° |
| C7 | C8 | C9 | H9 | 71.9° | 55.0° |
| C9 | C8 | H8 | H8A | 120.5° | 120.0° |
| C8 | C9 | C11 | C10 | 124.1° | 120.0° |
| C8 | C9 | C11 | H9 | 117.9° | 120.0° |
| C8 | C9 | C10 | H9 | 118.1° | 120.1° |
| C8 | C9 | C10 | H10 | 180.0° | 60.0° |
| C8 | C9 | C10 | H10A | 60.0° | 60.0° |
| C8 | C9 | C10 | H10B | 60.0° | 179.9° |
| C8 | C9 | C11 | H11 | 180.0° | 59.9° |
| C8 | C9 | C11 | H11A | 60.0° | 180.0° |
| C8 | C9 | C11 | H11B | 60.0° | 60.0° |
| H8 | C8 | C9 | C11 | 166.0° | 65.0° |
| H8 | C8 | C9 | C10 | 70.1° | 55.0° |
| H8 | C8 | C9 | H9 | 48.0° | 175.0° |
| H8A | C8 | C9 | C11 | 73.7° | 55.0° |
| H8A | C8 | C9 | C10 | 50.2° | 175.0° |
| H8A | C8 | C9 | H9 | 168.3° | 65.0° |
| C11 | C9 | C10 | H9 | 117.9° | 120.0° |
| C11 | C9 | C10 | H10 | 56.0° | 180.0° |
| C11 | C9 | C10 | H10A | 176.0° | 60.0° |
| C11 | C9 | C10 | H10B | 64.0° | 60.1° |
| C9 | C11 | H11 | H11A | 120.0° | 120.0° |
| C9 | C11 | H11 | H11B | 120.0° | 119.9° |
| C9 | C11 | H11A | H11B | 120.0° | 120.0° |
| C9 | C10 | H10 | H10A | 120.0° | 120.0° |
| C9 | C10 | H10 | H10B | 120.0° | 119.9° |
| C9 | C10 | H10A | H10B | 120.0° | 120.0° |
| C10 | C9 | C11 | H11 | 55.9° | 180.0° |
| C10 | C9 | C11 | H11A | 64.1° | 60.0° |
| C10 | C9 | C11 | H11B | 175.9° | 60.0° |
| H9 | C9 | C10 | H10 | 61.9° | 60.0° |
| H9 | C9 | C10 | H10A | 58.1° | 180.0° |
| H9 | C9 | C10 | H10B | 178.1° | 59.9° |
| H9 | C9 | C11 | H11 | 62.1° | 60.1° |
| H9 | C9 | C11 | H11A | 177.9° | 60.0° |
| H9 | C9 | C11 | H11B | 57.9° | 180.0° |
| H10 | C10 | H10A | H10B | 119.9° | 120.0° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| C30 | C21 | C22 | H21 | 120.4° | 120.0° |
| C30 | C21 | C22 | H21A | 120.4° | 119.5° |
| C30 | C21 | H21 | H21A | 118.9° | 119.3° |
| C30 | C21 | C22 | C23 | 60.7° | 62.2° |
| C30 | C21 | C22 | H22 | 59.8° | 60.4° |
| C21 | C30 | C25 | C24 | 54.6° | 54.3° |
| C21 | C30 | C25 | C29 | 114.5° | 117.3° |
| C21 | C30 | C25 | C39 | 119.3° | 119.8° |
| C21 | C30 | C25 | C26 | 172.5° | 176.7° |
| C21 | C30 | C25 | H25 | 59.8° | 62.8° |
| C21 | C30 | C29 | C28 | 163.0° | 166.8° |
| C21 | C30 | C29 | C31 | 65.7° | 61.3° |
| C21 | C30 | C29 | C39 | 117.2° | 118.4° |
| C21 | C30 | C29 | H29 | 47.8° | 52.0° |
| C21 | C30 | C39 | H39 | 180.0° | 173.9° |
| C21 | C30 | C39 | H39A | 60.0° | 53.9° |
| C21 | C30 | C39 | H39B | 60.0° | 66.1° |
| C22 | C21 | H21 | H21A | 118.9° | 120.4° |
| C21 | C22 | C23 | H22 | 120.5° | 122.9° |
| C21 | C22 | C23 | C24 | 57.1° | 55.6° |
| C21 | C22 | C23 | H23 | 63.3° | 65.5° |
| C21 | C22 | C23 | H23A | 177.6° | 176.4° |
| C22 | C21 | C30 | C25 | 58.1° | 59.9° |
| C22 | C21 | C30 | C29 | 174.5° | 177.5° |
| C22 | C21 | C30 | C39 | 65.2° | 62.8° |
| H21 | C21 | C22 | C23 | 59.7° | 177.8° |
| H21 | C21 | C22 | H22 | 179.8° | 59.7° |
| H21 | C21 | C30 | C25 | 62.3° | 179.9° |
| H21 | C21 | C30 | C29 | 54.1° | 62.3° |
| H21 | C21 | C30 | C39 | 174.4° | 57.4° |
| H21A | C21 | C22 | C23 | 178.9° | 57.4° |
| H21A | C21 | C22 | H22 | 60.6° | 179.9° |
| H21A | C21 | C30 | C25 | 178.5° | 60.1° |
| H21A | C21 | C30 | C29 | 65.1° | 57.5° |
| H21A | C21 | C30 | C39 | 55.2° | 177.2° |
| O21 | C35 | C28 | C27 | 36.9° | 30.5° |
| O21 | C35 | C28 | C34 | 82.8° | 86.9° |
| O21 | C35 | C28 | C36 | 115.3° | 119.2° |
| O21 | C35 | C28 | H35 | 125.7° | 121.6° |
| O21 | C35 | C28 | C29 | 160.3° | 155.1° |
| O21 | C35 | C36 | C33 | 106.3° | 112.1° |
| O21 | C35 | C36 | H35 | 125.5° | 123.5° |
| O21 | C35 | C36 | C40 | 73.9° | 67.8° |
| HO21 | O21 | C35 | C28 | 180.0° | 180.0° |
| HO21 | O21 | C35 | C36 | 69.7° | 64.2° |
| HO21 | O21 | C35 | H35 | 55.2° | 59.3° |
| C22 | C23 | C24 | H23 | 120.4° | 121.3° |
| C22 | C23 | C24 | H23A | 120.4° | 121.0° |
| C22 | C23 | H23 | H23A | 118.7° | 118.8° |
| C22 | C23 | C24 | C25 | 52.0° | 48.2° |
| C22 | C23 | C24 | C37 | 77.7° | 79.3° |
| C22 | C23 | C24 | C38 | 167.9° | 165.6° |
| H22 | C22 | C23 | C24 | 63.4° | 67.2° |
| H22 | C22 | C23 | H23 | 176.2° | 171.7° |
| H22 | C22 | C23 | H23A | 57.1° | 53.6° |
| O22 | C37 | C24 | C23 | 20.2° | 60.0° |
| O22 | C37 | O23 | C24 | 178.7° | 180.0° |
| O22 | C37 | C24 | C25 | 145.1° | 173.2° |
| O22 | C37 | C24 | C38 | 95.2° | 54.7° |
| HO22 | O22 | C37 | O23 | 0.0° | 0.0° |
| HO22 | O22 | C37 | C24 | 178.8° | 180.0° |
| C24 | C23 | H23 | H23A | 118.7° | 118.1° |
| C23 | C24 | C37 | O23 | 161.0° | 120.0° |
| C23 | C24 | C25 | C37 | 124.1° | 125.8° |
| C23 | C24 | C25 | C38 | 116.6° | 116.3° |
| C23 | C24 | C37 | C38 | 115.4° | 114.7° |
| C23 | C24 | C38 | O24 | 117.1° | 60.0° |
| C23 | C24 | C25 | C30 | 52.1° | 48.8° |
| C23 | C24 | C25 | C26 | 177.1° | 176.7° |
| C23 | C24 | C25 | H25 | 62.4° | 67.9° |
| C23 | C24 | C38 | O25 | 62.9° | 120.0° |
| H23 | C23 | C24 | C25 | 68.5° | 73.1° |
| H23 | C23 | C24 | C37 | 161.8° | 159.4° |
| H23 | C23 | C24 | C38 | 47.5° | 44.3° |
| H23A | C23 | C24 | C25 | 172.4° | 169.2° |
| H23A | C23 | C24 | C37 | 42.7° | 41.7° |
| H23A | C23 | C24 | C38 | 71.7° | 73.4° |
| O23 | C37 | C24 | C25 | 36.1° | 6.8° |
| O23 | C37 | C24 | C38 | 83.6° | 125.3° |
| C25 | C24 | C37 | C38 | 119.7° | 118.6° |
| C25 | C24 | C38 | O24 | 125.2° | 179.7° |
| C24 | C25 | C30 | C26 | 132.9° | 129.1° |
| C24 | C25 | C30 | H25 | 114.4° | 117.1° |
| C24 | C25 | C26 | H25 | 114.6° | 115.8° |
| C25 | C24 | C38 | O25 | 54.8° | 0.3° |
| C24 | C25 | C26 | C27 | 162.3° | 164.8° |
| C24 | C25 | C26 | H26 | 42.4° | 45.8° |
| C24 | C25 | C26 | H26A | 77.7° | 75.2° |
| C24 | C25 | C30 | C29 | 169.2° | 171.5° |
| C24 | C25 | C30 | C39 | 64.6° | 65.5° |
| C37 | C24 | C38 | O24 | 1.6° | 57.5° |
| C37 | C24 | C25 | C30 | 71.9° | 77.1° |
| C37 | C24 | C25 | C26 | 58.8° | 50.8° |
| C37 | C24 | C25 | H25 | 173.5° | 166.3° |
| C37 | C24 | C38 | O25 | 178.5° | 122.4° |
| C24 | C38 | O24 | O25 | 179.9° | 180.0° |
| C24 | C38 | O24 | HO24 | 179.9° | 180.0° |
| C38 | C24 | C25 | C30 | 168.7° | 165.0° |
| C38 | C24 | C25 | C26 | 60.6° | 67.1° |
| C38 | C24 | C25 | H25 | 54.2° | 48.3° |
| HO24 | O24 | C38 | O25 | 0.0° | 0.0° |
| C30 | C25 | C26 | H25 | 112.6° | 113.8° |
| C30 | C25 | C26 | C27 | 64.9° | 64.8° |
| C30 | C25 | C26 | H26 | 175.1° | 176.1° |
| C30 | C25 | C26 | H26A | 55.0° | 55.1° |
| C25 | C30 | C29 | C28 | 47.4° | 49.6° |
| C25 | C30 | C29 | C31 | 178.7° | 178.4° |
| C25 | C30 | C29 | C39 | 127.2° | 124.4° |
| C25 | C30 | C29 | H29 | 67.8° | 65.1° |
| C25 | C30 | C39 | H39 | 60.7° | 54.2° |
| C25 | C30 | C39 | H39A | 59.3° | 65.8° |
| C25 | C30 | C39 | H39B | 179.3° | 174.2° |
| C25 | C26 | C27 | H26 | 120.0° | 120.4° |
| C25 | C26 | C27 | H26A | 120.0° | 121.0° |
| C25 | C26 | H26 | H26A | 120.1° | 122.2° |
| C25 | C26 | C27 | C28 | 58.6° | 58.2° |
| C25 | C26 | C27 | H27 | 61.8° | 62.2° |
| C25 | C26 | C27 | H27A | 178.9° | 178.7° |
| C26 | C25 | C30 | C29 | 58.0° | 59.4° |
| C26 | C25 | C30 | C39 | 68.3° | 63.5° |
| H25 | C25 | C26 | C27 | 47.7° | 49.0° |
| H25 | C25 | C26 | H26 | 72.3° | 70.1° |
| H25 | C25 | C26 | H26A | 167.7° | 168.9° |
| H25 | C25 | C30 | C29 | 54.7° | 54.4° |
| H25 | C25 | C30 | C39 | 179.1° | 177.4° |
| C27 | C26 | H26 | H26A | 120.1° | 118.8° |
| C26 | C27 | C28 | H27 | 120.4° | 120.4° |
| C26 | C27 | C28 | H27A | 120.4° | 120.4° |
| C26 | C27 | H27 | H27A | 118.8° | 119.2° |
| C26 | C27 | C28 | C34 | 78.1° | 78.4° |
| C26 | C27 | C28 | C35 | 167.6° | 169.4° |
| C26 | C27 | C28 | C29 | 47.4° | 49.0° |
| H26 | C26 | C27 | C28 | 178.5° | 178.5° |
| H26 | C26 | C27 | H27 | 58.1° | 58.1° |
| H26 | C26 | C27 | H27A | 61.1° | 60.9° |
| H26A | C26 | C27 | C28 | 61.4° | 62.9° |
| H26A | C26 | C27 | H27 | 178.2° | 176.7° |
| H26A | C26 | C27 | H27A | 59.0° | 57.7° |
| C28 | C27 | H27 | H27A | 118.9° | 119.4° |
| C27 | C28 | C34 | C35 | 118.3° | 117.6° |
| C27 | C28 | C34 | C29 | 126.8° | 128.4° |
| C27 | C28 | C35 | C29 | 123.3° | 124.6° |
| C27 | C28 | C29 | C31 | 174.2° | 178.1° |
| C27 | C28 | C29 | C30 | 42.9° | 45.7° |
| C27 | C28 | C29 | H29 | 72.4° | 68.5° |
| C27 | C28 | C34 | C33 | 162.7° | 162.6° |
| C27 | C28 | C34 | H34 | 43.8° | 46.7° |
| C27 | C28 | C34 | H34A | 78.4° | 76.8° |
| C27 | C28 | C35 | C36 | 152.3° | 149.7° |
| C27 | C28 | C35 | H35 | 88.8° | 91.1° |
| H27 | C27 | C28 | C34 | 161.5° | 161.1° |
| H27 | C27 | C28 | C35 | 47.2° | 48.9° |
| H27 | C27 | C28 | C29 | 72.9° | 71.5° |
| H27A | C27 | C28 | C34 | 42.2° | 42.0° |
| H27A | C27 | C28 | C35 | 72.1° | 70.2° |
| H27A | C27 | C28 | C29 | 167.8° | 169.4° |
| C34 | C28 | C35 | C29 | 116.9° | 118.0° |
| C34 | C28 | C29 | C31 | 47.8° | 51.7° |
| C34 | C28 | C29 | C30 | 83.4° | 80.7° |
| C34 | C28 | C29 | H29 | 161.3° | 165.0° |
| C28 | C34 | C33 | C32 | 76.2° | 73.2° |
| C28 | C34 | C33 | C36 | 36.9° | 41.6° |
| C28 | C34 | C33 | H34 | 118.9° | 116.2° |
| C28 | C34 | C33 | H34A | 118.9° | 122.1° |
| C28 | C34 | C33 | H33 | 159.0° | 163.3° |
| C28 | C34 | H34 | H34A | 123.2° | 126.5° |
| C34 | C28 | C35 | C36 | 32.5° | 32.3° |
| C34 | C28 | C35 | H35 | 151.5° | 151.5° |
| C35 | C28 | C29 | C31 | 64.4° | 59.4° |
| C35 | C28 | C29 | C30 | 164.4° | 168.2° |
| C35 | C28 | C29 | H29 | 49.1° | 53.9° |
| C28 | C35 | C36 | C33 | 9.6° | 6.3° |
| C35 | C28 | C34 | C33 | 44.4° | 45.0° |
| C35 | C28 | C34 | H34 | 74.5° | 70.9° |
| C35 | C28 | C34 | H34A | 163.3° | 165.6° |
| C28 | C35 | C36 | H35 | 118.6° | 118.1° |
| C28 | C35 | C36 | C40 | 170.2° | 173.8° |
| C28 | C29 | C31 | C30 | 133.1° | 133.2° |
| C28 | C29 | C31 | H29 | 113.4° | 113.7° |
| C28 | C29 | C30 | H29 | 115.3° | 114.7° |
| C28 | C29 | C30 | C39 | 79.8° | 74.8° |
| C28 | C29 | C31 | C32 | 31.0° | 36.6° |
| C28 | C29 | C31 | H31 | 152.0° | 159.4° |
| C28 | C29 | C31 | H31A | 90.0° | 84.9° |
| C29 | C28 | C34 | C33 | 70.4° | 69.0° |
| C29 | C28 | C34 | H34 | 170.6° | 175.1° |
| C29 | C28 | C34 | H34A | 48.5° | 51.6° |
| C29 | C28 | C35 | C36 | 84.4° | 85.7° |
| C29 | C28 | C35 | H35 | 34.5° | 33.5° |
| C31 | C29 | C30 | H29 | 113.5° | 113.3° |
| C31 | C29 | C30 | C39 | 51.5° | 57.1° |
| C29 | C31 | C32 | H31 | 121.0° | 123.2° |
| C29 | C31 | C32 | H31A | 121.0° | 121.4° |
| C29 | C31 | H31 | H31A | 116.8° | 116.8° |
| C29 | C31 | C32 | C33 | 38.0° | 43.3° |
| C29 | C31 | C32 | H32 | 82.4° | 78.6° |
| C29 | C31 | C32 | H32A | 158.4° | 163.5° |
| C30 | C29 | C31 | C32 | 102.1° | 96.6° |
| C30 | C29 | C31 | H31 | 18.9° | 26.2° |
| C30 | C29 | C31 | H31A | 136.9° | 141.9° |
| C29 | C30 | C39 | H39 | 63.7° | 67.8° |
| C29 | C30 | C39 | H39A | 176.3° | 172.2° |
| C29 | C30 | C39 | H39B | 56.3° | 52.2° |
| H29 | C29 | C30 | C39 | 165.0° | 170.4° |
| H29 | C29 | C31 | C32 | 144.4° | 150.2° |
| H29 | C29 | C31 | H31 | 94.6° | 86.9° |
| H29 | C29 | C31 | H31A | 23.4° | 28.8° |
| C30 | C39 | H39 | H39A | 120.0° | 120.0° |
| C30 | C39 | H39 | H39B | 120.0° | 120.0° |
| C30 | C39 | H39A | H39B | 120.0° | 120.0° |
| C32 | C31 | H31 | H31A | 116.8° | 116.7° |
| C31 | C32 | C33 | H32 | 120.4° | 122.2° |
| C31 | C32 | C33 | H32A | 120.4° | 120.3° |
| C31 | C32 | H32 | H32A | 118.9° | 118.7° |
| C31 | C32 | C33 | C36 | 47.4° | 48.2° |
| C31 | C32 | C33 | C34 | 60.7° | 63.2° |
| C31 | C32 | C33 | H33 | 174.4° | 173.2° |
| H31 | C31 | C32 | C33 | 159.0° | 166.4° |
| H31 | C31 | C32 | H32 | 38.7° | 44.6° |
| H31 | C31 | C32 | H32A | 80.6° | 73.4° |
| H31A | C31 | C32 | C33 | 83.0° | 78.1° |
| H31A | C31 | C32 | H32 | 156.6° | 160.1° |
| H31A | C31 | C32 | H32A | 37.4° | 42.1° |
| C33 | C32 | H32 | H32A | 118.8° | 118.2° |
| C32 | C33 | C36 | C34 | 111.4° | 113.0° |
| C32 | C33 | C36 | H33 | 126.8° | 125.2° |
| C32 | C33 | C34 | H33 | 124.8° | 123.5° |
| C32 | C33 | C34 | H34 | 164.9° | 170.7° |
| C32 | C33 | C34 | H34A | 42.7° | 48.9° |
| C32 | C33 | C36 | C35 | 94.2° | 91.0° |
| C32 | C33 | C36 | C40 | 85.5° | 89.1° |
| H32 | C32 | C33 | C36 | 167.7° | 170.3° |
| H32 | C32 | C33 | C34 | 59.6° | 59.0° |
| H32 | C32 | C33 | H33 | 65.2° | 64.6° |
| H32A | C32 | C33 | C36 | 73.0° | 72.2° |
| H32A | C32 | C33 | C34 | 178.9° | 176.5° |
| H32A | C32 | C33 | H33 | 54.0° | 52.9° |
| C36 | C33 | C34 | H33 | 122.1° | 121.6° |
| C36 | C33 | C34 | H34 | 82.0° | 74.5° |
| C36 | C33 | C34 | H34A | 155.8° | 163.7° |
| C33 | C36 | C35 | C40 | 179.8° | 179.9° |
| C33 | C36 | C35 | H35 | 128.2° | 124.4° |
| C33 | C36 | C40 | H40 | 179.7° | 0.0° |
| C33 | C36 | C40 | H40A | 0.3° | 180.0° |
| C33 | C34 | H34 | H34A | 123.2° | 123.7° |
| C34 | C33 | C36 | C35 | 17.2° | 22.1° |
| C34 | C33 | C36 | C40 | 163.1° | 157.9° |
| H33 | C33 | C34 | H34 | 40.1° | 47.1° |
| H33 | C33 | C34 | H34A | 82.1° | 74.7° |
| H33 | C33 | C36 | C35 | 139.0° | 143.8° |
| H33 | C33 | C36 | C40 | 41.2° | 36.1° |
| C35 | C36 | C40 | H40 | 0.0° | 179.9° |
| C35 | C36 | C40 | H40A | 180.0° | 0.1° |
| H35 | C35 | C36 | C40 | 51.6° | 55.7° |
| C36 | C40 | H40 | H40A | 180.0° | 180.0° |
| H39 | C39 | H39A | H39B | 120.0° | 120.0° |
