H5S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C5 | sing | 1.51Å | 1.51Å | |
| C1 | N2 | sing | 1.47Å | 1.49Å | |
| C1 | C24 | sing | 1.53Å | 1.58Å | |
| C3 | C4 | sing | 1.47Å | 1.47Å | |
| C3 | N2 | sing | 1.34Å | 1.36Å | |
| C3 | O14 | doub | 1.22Å | 1.21Å | |
| C4 | C5 | doub | 1.36Å | 1.38Å | |
| C4 | C15 | sing | 1.48Å | 1.50Å | |
| C5 | O13 | sing | 1.34Å | 1.33Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C6 | N2 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C29 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | F28 | sing | 1.35Å | 1.36Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | N17 | doub | 1.30Å | 1.30Å | |
| C15 | C19 | sing | 1.47Å | 1.49Å | |
| S16 | N17 | sing | 1.67Å | 1.67Å | |
| S16 | C18 | sing | 1.77Å | 1.77Å | |
| S16 | O22 | doub | 1.42Å | 1.43Å | |
| S16 | O23 | doub | 1.42Å | 1.43Å | |
| C18 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C30 | sing | 1.37Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.37Å | 1.39Å | Aromatic |
| C21 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C26 | sing | 1.53Å | 1.55Å | |
| C24 | C27 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C35 | sing | 1.51Å | 1.50Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | N34 | sing | 1.47Å | 1.48Å | |
| N34 | C35 | sing | 1.47Å | 1.48Å | |
| N34 | S36 | sing | 1.66Å | 1.65Å | |
| S36 | O37 | doub | 1.42Å | 1.43Å | |
| S36 | O38 | doub | 1.42Å | 1.39Å | |
| S36 | C39 | sing | 1.81Å | 1.83Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | 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 | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C1 | N2 | 104.3° | 106.0° |
| C5 | C1 | C24 | 106.3° | 110.2° |
| C1 | C5 | C4 | 109.1° | 106.6° |
| C1 | C5 | O13 | 124.2° | 126.7° |
| C5 | C1 | H1 | 115.9° | 110.2° |
| N2 | C1 | C24 | 113.0° | 110.2° |
| C1 | N2 | C3 | 108.0° | 108.0° |
| C1 | N2 | C6 | 128.6° | 126.0° |
| N2 | C1 | H1 | 109.6° | 110.1° |
| C1 | C24 | C25 | 113.4° | 109.5° |
| C1 | C24 | C26 | 111.7° | 109.5° |
| C1 | C24 | C27 | 112.2° | 109.5° |
| C24 | C1 | H1 | 107.8° | 110.2° |
| C4 | C3 | N2 | 111.5° | 110.2° |
| C4 | C3 | O14 | 125.3° | 124.9° |
| C3 | C4 | C5 | 106.8° | 109.2° |
| C3 | C4 | C15 | 127.5° | 125.4° |
| N2 | C3 | O14 | 123.0° | 124.9° |
| C3 | N2 | C6 | 123.3° | 126.0° |
| C5 | C4 | C15 | 125.6° | 125.4° |
| C4 | C5 | O13 | 126.6° | 126.7° |
| C4 | C15 | N17 | 116.5° | 120.5° |
| C4 | C15 | C19 | 126.9° | 120.6° |
| C5 | O13 | HO13 | 109.5° | 117.0° |
| C7 | C6 | N2 | 104.6° | 109.5° |
| C6 | C7 | C8 | 121.6° | 120.0° |
| C6 | C7 | C12 | 121.5° | 120.0° |
| C7 | C6 | H6 | 111.1° | 109.5° |
| C7 | C6 | H6A | 112.1° | 109.5° |
| N2 | C6 | H6 | 111.1° | 109.4° |
| N2 | C6 | H6A | 112.1° | 109.5° |
| C8 | C7 | C12 | 116.9° | 120.1° |
| C7 | C8 | C9 | 121.3° | 120.0° |
| C7 | C8 | H8 | 119.4° | 120.0° |
| C7 | C12 | C11 | 122.7° | 120.0° |
| C7 | C12 | H12 | 118.7° | 120.0° |
| C8 | C9 | C10 | 120.8° | 120.0° |
| C8 | C9 | C29 | 119.7° | 120.0° |
| C9 | C8 | H8 | 119.3° | 119.9° |
| C10 | C9 | C29 | 119.6° | 120.0° |
| C9 | C10 | C11 | 118.9° | 119.9° |
| C9 | C10 | F28 | 120.6° | 120.1° |
| C9 | C29 | H29 | 109.5° | 109.5° |
| C9 | C29 | H29A | 109.4° | 109.4° |
| C9 | C29 | H29B | 109.5° | 109.4° |
| C11 | C10 | F28 | 120.6° | 120.0° |
| C10 | C11 | C12 | 119.5° | 120.0° |
| C10 | C11 | H11 | 120.3° | 120.0° |
| C12 | C11 | H11 | 120.2° | 120.0° |
| C11 | C12 | H12 | 118.7° | 120.0° |
| N17 | C15 | C19 | 116.1° | 118.9° |
| C15 | N17 | S16 | 110.0° | 106.2° |
| C15 | C19 | C18 | 111.3° | 112.1° |
| C15 | C19 | C20 | 133.8° | 130.6° |
| N17 | S16 | C18 | 97.3° | 99.6° |
| N17 | S16 | O22 | 108.9° | 107.6° |
| N17 | S16 | O23 | 109.5° | 107.6° |
| C18 | S16 | O22 | 109.5° | 107.8° |
| C18 | S16 | O23 | 110.6° | 107.5° |
| S16 | C18 | C19 | 105.2° | 103.3° |
| S16 | C18 | C30 | 131.8° | 134.1° |
| O22 | S16 | O23 | 118.8° | 124.2° |
| C19 | C18 | C30 | 123.0° | 122.6° |
| C18 | C19 | C20 | 114.9° | 117.3° |
| C18 | C30 | C31 | 121.1° | 119.4° |
| C18 | C30 | C35 | 116.4° | 118.6° |
| C19 | C20 | C21 | 122.3° | 120.0° |
| C19 | C20 | H20 | 118.8° | 120.0° |
| C20 | C21 | C31 | 120.2° | 121.5° |
| C21 | C20 | H20 | 118.8° | 120.0° |
| C20 | C21 | H21 | 119.9° | 119.3° |
| C21 | C31 | C30 | 118.5° | 119.2° |
| C21 | C31 | C32 | 119.2° | 117.8° |
| C31 | C21 | H21 | 119.9° | 119.3° |
| C25 | C24 | C26 | 104.9° | 109.5° |
| C25 | C24 | C27 | 106.4° | 109.5° |
| C24 | C25 | H25 | 109.5° | 109.5° |
| C24 | C25 | H25A | 109.5° | 109.5° |
| C24 | C25 | H25B | 109.5° | 109.5° |
| C26 | C24 | C27 | 107.9° | 109.5° |
| C24 | C26 | H26 | 109.5° | 109.5° |
| C24 | C26 | H26A | 109.5° | 109.5° |
| C24 | C26 | H26B | 109.4° | 109.5° |
| C24 | C27 | H27 | 109.5° | 109.5° |
| C24 | C27 | H27A | 109.5° | 109.5° |
| C24 | C27 | H27B | 109.5° | 109.5° |
| C31 | C30 | C35 | 122.5° | 122.1° |
| C30 | C31 | C32 | 122.2° | 122.9° |
| C30 | C35 | N34 | 112.5° | 109.8° |
| C30 | C35 | H35 | 108.5° | 109.4° |
| C30 | C35 | H35A | 107.8° | 109.4° |
| C31 | C32 | C33 | 110.6° | 110.9° |
| C31 | C32 | H32 | 109.1° | 109.2° |
| C31 | C32 | H32A | 108.9° | 109.2° |
| C32 | C33 | N34 | 110.0° | 107.9° |
| C33 | C32 | H32 | 109.1° | 109.2° |
| C33 | C32 | H32A | 108.8° | 109.2° |
| C32 | C33 | H33 | 109.3° | 109.8° |
| C32 | C33 | H33A | 109.2° | 109.7° |
| C33 | N34 | C35 | 120.4° | 117.4° |
| C33 | N34 | S36 | 122.7° | 121.3° |
| N34 | C33 | H33 | 109.3° | 109.8° |
| N34 | C33 | H33A | 109.2° | 109.8° |
| C35 | N34 | S36 | 116.6° | 121.3° |
| N34 | C35 | H35 | 108.5° | 109.4° |
| N34 | C35 | H35A | 107.8° | 109.4° |
| N34 | S36 | O37 | 105.0° | 104.3° |
| N34 | S36 | O38 | 104.6° | 104.3° |
| N34 | S36 | C39 | 99.4° | 104.4° |
| O37 | S36 | O38 | 125.5° | 121.1° |
| O37 | S36 | C39 | 107.7° | 110.5° |
| O38 | S36 | C39 | 111.2° | 110.5° |
| S36 | C39 | H39 | 109.5° | 109.5° |
| S36 | C39 | H39A | 109.4° | 109.5° |
| S36 | C39 | H39B | 109.4° | 109.5° |
| H6 | C6 | H6A | 105.8° | 109.4° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H25 | C25 | H25B | 109.5° | 109.4° |
| H25A | C25 | H25B | 109.5° | 109.4° |
| H26 | C26 | H26A | 109.5° | 109.4° |
| H26 | C26 | H26B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.4° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.4° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.4° |
| H29 | C29 | H29A | 109.5° | 109.5° |
| H29 | C29 | H29B | 109.5° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| H32 | C32 | H32A | 110.3° | 109.2° |
| H33 | C33 | H33A | 109.9° | 109.8° |
| H35 | C35 | H35A | 111.8° | 109.4° |
| H39 | C39 | H39A | 109.5° | 109.4° |
| H39 | C39 | H39B | 109.5° | 109.4° |
| H39A | C39 | H39B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C1 | N2 | C24 | 115.0° | 119.2° |
| C5 | C1 | N2 | H1 | 124.8° | 119.1° |
| C5 | C1 | C24 | H1 | 124.9° | 121.7° |
| C1 | C5 | C4 | C3 | 4.1° | 0.0° |
| C5 | C1 | N2 | C3 | 5.5° | 0.0° |
| C1 | C5 | C4 | O13 | 176.5° | 180.0° |
| C1 | C5 | C4 | C15 | 178.7° | 180.0° |
| C5 | C1 | N2 | C6 | 171.0° | 180.0° |
| C5 | C1 | C24 | C25 | 46.3° | 53.9° |
| C5 | C1 | C24 | C26 | 71.9° | 174.0° |
| C5 | C1 | C24 | C27 | 166.8° | 66.1° |
| C1 | C5 | O13 | HO13 | 177.2° | 175.0° |
| N2 | C1 | C24 | H1 | 121.3° | 121.7° |
| C1 | N2 | C3 | C4 | 3.3° | 0.0° |
| C1 | N2 | C3 | C6 | 176.7° | 180.0° |
| C1 | N2 | C3 | O14 | 178.8° | 180.0° |
| N2 | C1 | C5 | C4 | 5.9° | 0.0° |
| N2 | C1 | C5 | O13 | 177.5° | 180.0° |
| C1 | N2 | C6 | C7 | 77.9° | 82.8° |
| N2 | C1 | C24 | C25 | 67.5° | 170.5° |
| N2 | C1 | C24 | C26 | 174.3° | 69.5° |
| N2 | C1 | C24 | C27 | 53.0° | 50.5° |
| C1 | N2 | C6 | H6 | 42.1° | 37.2° |
| C1 | N2 | C6 | H6A | 160.3° | 157.2° |
| C24 | C1 | N2 | C3 | 109.5° | 119.2° |
| C24 | C1 | C5 | C4 | 113.7° | 119.1° |
| C24 | C1 | C5 | O13 | 62.9° | 60.9° |
| C24 | C1 | N2 | C6 | 74.0° | 60.9° |
| C1 | C24 | C25 | C26 | 122.1° | 120.0° |
| C1 | C24 | C25 | C27 | 123.7° | 120.0° |
| C1 | C24 | C26 | C27 | 123.7° | 120.0° |
| C1 | C24 | C25 | H25 | 7.6° | 60.0° |
| C1 | C24 | C25 | H25A | 127.6° | 180.0° |
| C1 | C24 | C25 | H25B | 112.4° | 60.0° |
| C1 | C24 | C26 | H26 | 64.6° | 85.6° |
| C1 | C24 | C26 | H26A | 55.4° | 154.4° |
| C1 | C24 | C26 | H26B | 175.4° | 34.5° |
| C1 | C24 | C27 | H27 | 108.9° | 60.0° |
| C1 | C24 | C27 | H27A | 11.1° | 180.0° |
| C1 | C24 | C27 | H27B | 131.2° | 60.0° |
| C4 | C3 | N2 | O14 | 175.5° | 180.0° |
| C3 | C4 | C5 | C15 | 177.2° | 180.0° |
| C3 | C4 | C5 | O13 | 179.4° | 180.0° |
| C4 | C3 | N2 | C6 | 173.4° | 180.0° |
| C3 | C4 | C15 | N17 | 166.7° | 105.5° |
| C3 | C4 | C15 | C19 | 5.4° | 74.3° |
| N2 | C3 | C4 | C5 | 0.5° | 0.1° |
| N2 | C3 | C4 | C15 | 177.7° | 180.0° |
| C3 | N2 | C6 | C7 | 98.1° | 97.2° |
| C3 | N2 | C1 | H1 | 130.3° | 119.1° |
| C3 | N2 | C6 | H6 | 142.0° | 142.8° |
| C3 | N2 | C6 | H6A | 23.7° | 22.9° |
| O14 | C3 | C4 | C5 | 174.8° | 180.0° |
| O14 | C3 | C4 | C15 | 2.3° | 0.0° |
| O14 | C3 | N2 | C6 | 2.1° | 0.0° |
| C5 | C4 | C15 | N17 | 16.7° | 74.5° |
| C5 | C4 | C15 | C19 | 171.3° | 105.7° |
| C4 | C5 | C1 | H1 | 126.6° | 119.1° |
| C4 | C5 | O13 | HO13 | 1.3° | 5.1° |
| C15 | C4 | C5 | O13 | 2.2° | 0.0° |
| C4 | C15 | N17 | C19 | 172.9° | 179.8° |
| C4 | C15 | N17 | S16 | 174.4° | 180.0° |
| C4 | C15 | C19 | C18 | 171.2° | 180.0° |
| C4 | C15 | C19 | C20 | 9.3° | 0.1° |
| O13 | C5 | C1 | H1 | 56.8° | 60.9° |
| C7 | C6 | N2 | H6 | 120.0° | 120.0° |
| C7 | C6 | N2 | H6A | 121.8° | 120.0° |
| C6 | C7 | C8 | C12 | 179.3° | 179.7° |
| C6 | C7 | C8 | C9 | 179.9° | 180.0° |
| C6 | C7 | C12 | C11 | 179.2° | 179.8° |
| C7 | C6 | H6 | H6A | 122.0° | 120.0° |
| C6 | C7 | C8 | H8 | 0.1° | 0.1° |
| C6 | C7 | C12 | H12 | 0.8° | 0.0° |
| N2 | C6 | C7 | C8 | 136.3° | 90.0° |
| N2 | C6 | C7 | C12 | 43.0° | 90.3° |
| C6 | N2 | C1 | H1 | 46.2° | 60.8° |
| N2 | C6 | H6 | H6A | 122.0° | 120.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 1.3° | 0.1° |
| C7 | C8 | C9 | C29 | 179.0° | 180.0° |
| C8 | C7 | C12 | C11 | 0.1° | 0.6° |
| C8 | C7 | C6 | H6 | 16.3° | 150.0° |
| C8 | C7 | C6 | H6A | 101.9° | 30.0° |
| C8 | C7 | C12 | H12 | 179.9° | 179.7° |
| C12 | C7 | C8 | C9 | 0.7° | 0.3° |
| C7 | C12 | C11 | C10 | 0.3° | 0.6° |
| C7 | C12 | C11 | H12 | 180.0° | 179.7° |
| C12 | C7 | C6 | H6 | 163.0° | 29.7° |
| C12 | C7 | C6 | H6A | 78.8° | 149.7° |
| C12 | C7 | C8 | H8 | 179.3° | 179.8° |
| C7 | C12 | C11 | H11 | 179.7° | 179.7° |
| C8 | C9 | C10 | C29 | 179.7° | 180.0° |
| C8 | C9 | C10 | C11 | 1.1° | 0.1° |
| C8 | C9 | C10 | F28 | 179.3° | 180.0° |
| C8 | C9 | C29 | H29 | 19.4° | 90.0° |
| C8 | C9 | C29 | H29A | 139.3° | 150.0° |
| C8 | C9 | C29 | H29B | 100.6° | 30.1° |
| C9 | C10 | C11 | F28 | 179.6° | 179.9° |
| C9 | C10 | C11 | C12 | 0.3° | 0.3° |
| C10 | C9 | C8 | H8 | 178.7° | 180.0° |
| C9 | C10 | C11 | H11 | 179.7° | 180.0° |
| C10 | C9 | C29 | H29 | 160.3° | 90.0° |
| C10 | C9 | C29 | H29A | 40.3° | 30.0° |
| C10 | C9 | C29 | H29B | 79.7° | 150.0° |
| C29 | C9 | C10 | C11 | 179.2° | 180.0° |
| C29 | C9 | C10 | F28 | 0.4° | 0.1° |
| C29 | C9 | C8 | H8 | 1.0° | 0.1° |
| C9 | C29 | H29 | H29A | 120.0° | 120.0° |
| C9 | C29 | H29 | H29B | 120.0° | 120.0° |
| C9 | C29 | H29A | H29B | 120.0° | 119.9° |
| C10 | C11 | C12 | H11 | 180.0° | 179.7° |
| C10 | C11 | C12 | H12 | 179.7° | 179.7° |
| F28 | C10 | C11 | C12 | 180.0° | 179.8° |
| F28 | C10 | C11 | H11 | 0.1° | 0.0° |
| C15 | N17 | S16 | C18 | 2.7° | 0.1° |
| C15 | N17 | S16 | O22 | 110.9° | 112.1° |
| C15 | N17 | S16 | O23 | 117.6° | 112.0° |
| N17 | C15 | C19 | C18 | 0.8° | 0.2° |
| N17 | C15 | C19 | C20 | 178.6° | 179.9° |
| C19 | C15 | N17 | S16 | 1.5° | 0.2° |
| C15 | C19 | C18 | S16 | 2.5° | 0.1° |
| C15 | C19 | C18 | C20 | 179.6° | 180.0° |
| C15 | C19 | C18 | C30 | 179.8° | 180.0° |
| C15 | C19 | C20 | C21 | 179.5° | 179.8° |
| C15 | C19 | C20 | H20 | 0.5° | 0.3° |
| N17 | S16 | C18 | O22 | 113.1° | 112.0° |
| N17 | S16 | C18 | O23 | 114.1° | 112.0° |
| N17 | S16 | O22 | O23 | 126.3° | 126.7° |
| N17 | S16 | C18 | C19 | 3.0° | 0.0° |
| N17 | S16 | C18 | C30 | 179.6° | 179.9° |
| C18 | S16 | O22 | O23 | 128.4° | 126.7° |
| S16 | C18 | C19 | C30 | 177.6° | 180.0° |
| S16 | C18 | C19 | C20 | 177.0° | 180.0° |
| S16 | C18 | C30 | C31 | 177.3° | 179.4° |
| S16 | C18 | C30 | C35 | 3.2° | 1.3° |
| O22 | S16 | C18 | C19 | 110.1° | 112.0° |
| O22 | S16 | C18 | C30 | 67.2° | 68.0° |
| O23 | S16 | C18 | C19 | 117.1° | 112.0° |
| O23 | S16 | C18 | C30 | 65.6° | 68.0° |
| C18 | C19 | C20 | C21 | 1.0° | 0.3° |
| C19 | C18 | C30 | C31 | 0.3° | 0.5° |
| C19 | C18 | C30 | C35 | 179.9° | 178.8° |
| C18 | C19 | C20 | H20 | 179.0° | 179.7° |
| C30 | C18 | C19 | C20 | 0.6° | 0.0° |
| C18 | C30 | C31 | C21 | 0.8° | 0.8° |
| C18 | C30 | C31 | C35 | 179.5° | 179.3° |
| C18 | C30 | C31 | C32 | 178.8° | 178.4° |
| C18 | C30 | C35 | N34 | 176.5° | 168.5° |
| C18 | C30 | C35 | H35 | 63.5° | 71.5° |
| C18 | C30 | C35 | H35A | 57.7° | 48.4° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C31 | 0.5° | 0.0° |
| C19 | C20 | C21 | H21 | 179.4° | 180.0° |
| C20 | C21 | C31 | H21 | 180.0° | 180.0° |
| C20 | C21 | C31 | C30 | 0.4° | 0.6° |
| C20 | C21 | C31 | C32 | 179.3° | 178.7° |
| C21 | C31 | C30 | C32 | 179.7° | 179.2° |
| C21 | C31 | C30 | C35 | 179.6° | 178.5° |
| C21 | C31 | C32 | C33 | 153.2° | 160.2° |
| C31 | C21 | C20 | H20 | 179.4° | 180.0° |
| C21 | C31 | C32 | H32 | 33.2° | 79.5° |
| C21 | C31 | C32 | H32A | 87.2° | 39.8° |
| C25 | C24 | C26 | C27 | 113.1° | 120.0° |
| C25 | C24 | C1 | H1 | 171.2° | 67.8° |
| C24 | C25 | H25 | H25A | 120.0° | 120.0° |
| C24 | C25 | H25 | H25B | 120.0° | 120.0° |
| C24 | C25 | H25A | H25B | 120.0° | 120.1° |
| C25 | C24 | C26 | H26 | 58.6° | 154.4° |
| C25 | C24 | C26 | H26A | 178.6° | 34.4° |
| C25 | C24 | C26 | H26B | 61.4° | 85.6° |
| C25 | C24 | C27 | H27 | 126.7° | 60.0° |
| C25 | C24 | C27 | H27A | 113.3° | 60.0° |
| C25 | C24 | C27 | H27B | 6.7° | 180.0° |
| C26 | C24 | C1 | H1 | 53.0° | 52.2° |
| C26 | C24 | C25 | H25 | 114.5° | 60.0° |
| C26 | C24 | C25 | H25A | 5.6° | 60.0° |
| C26 | C24 | C25 | H25B | 125.5° | 180.0° |
| C24 | C26 | H26 | H26A | 120.0° | 120.0° |
| C24 | C26 | H26 | H26B | 119.9° | 120.0° |
| C24 | C26 | H26A | H26B | 120.0° | 120.0° |
| C26 | C24 | C27 | H27 | 14.6° | 180.0° |
| C26 | C24 | C27 | H27A | 134.6° | 60.0° |
| C26 | C24 | C27 | H27B | 105.4° | 60.0° |
| C27 | C24 | C1 | H1 | 68.3° | 172.2° |
| C27 | C24 | C25 | H25 | 131.3° | 180.0° |
| C27 | C24 | C25 | H25A | 108.6° | 60.0° |
| C27 | C24 | C25 | H25B | 11.3° | 60.0° |
| C27 | C24 | C26 | H26 | 171.7° | 34.4° |
| C27 | C24 | C26 | H26A | 68.3° | 85.6° |
| C27 | C24 | C26 | H26B | 51.7° | 154.4° |
| C24 | C27 | H27 | H27A | 120.0° | 120.1° |
| C24 | C27 | H27 | H27B | 120.0° | 120.0° |
| C24 | C27 | H27A | H27B | 120.0° | 120.0° |
| C30 | C31 | C32 | C33 | 26.4° | 20.6° |
| C31 | C30 | C35 | N34 | 3.1° | 12.2° |
| C30 | C31 | C21 | H21 | 179.6° | 179.5° |
| C30 | C31 | C32 | H32 | 146.5° | 99.7° |
| C30 | C31 | C32 | H32A | 93.1° | 140.9° |
| C31 | C30 | C35 | H35 | 116.9° | 107.8° |
| C31 | C30 | C35 | H35A | 121.8° | 132.3° |
| C35 | C30 | C31 | C32 | 0.7° | 2.3° |
| C30 | C35 | N34 | C33 | 24.5° | 44.7° |
| C30 | C35 | N34 | H35 | 120.0° | 120.1° |
| C30 | C35 | N34 | H35A | 118.7° | 120.1° |
| C30 | C35 | N34 | S36 | 161.5° | 135.3° |
| C30 | C35 | H35 | H35A | 118.8° | 119.9° |
| C31 | C32 | C33 | H32 | 120.0° | 120.4° |
| C31 | C32 | C33 | H32A | 119.5° | 120.3° |
| C31 | C32 | C33 | N34 | 49.2° | 47.5° |
| C32 | C31 | C21 | H21 | 0.7° | 1.3° |
| C31 | C32 | H32 | H32A | 119.5° | 119.4° |
| C31 | C32 | C33 | H33 | 70.7° | 167.1° |
| C31 | C32 | C33 | H33A | 169.0° | 72.2° |
| C32 | C33 | N34 | H33 | 120.0° | 119.6° |
| C32 | C33 | N34 | H33A | 119.8° | 119.6° |
| C32 | C33 | N34 | C35 | 51.8° | 64.2° |
| C32 | C33 | N34 | S36 | 134.6° | 115.8° |
| C33 | C32 | H32 | H32A | 119.5° | 119.3° |
| C32 | C33 | H33 | H33A | 119.8° | 120.7° |
| C33 | N34 | C35 | S36 | 174.0° | 180.0° |
| C33 | N34 | S36 | O37 | 26.4° | 153.9° |
| C33 | N34 | S36 | O38 | 160.1° | 26.0° |
| C33 | N34 | S36 | C39 | 84.9° | 90.0° |
| N34 | C33 | C32 | H32 | 169.3° | 72.9° |
| N34 | C33 | C32 | H32A | 70.3° | 167.8° |
| N34 | C33 | H33 | H33A | 119.8° | 120.8° |
| C33 | N34 | C35 | H35 | 144.5° | 75.4° |
| C33 | N34 | C35 | H35A | 94.2° | 164.8° |
| C35 | N34 | S36 | O37 | 159.7° | 26.1° |
| C35 | N34 | S36 | O38 | 26.0° | 154.0° |
| C35 | N34 | S36 | C39 | 89.0° | 90.0° |
| C35 | N34 | C33 | H33 | 68.3° | 176.2° |
| C35 | N34 | C33 | H33A | 171.5° | 55.4° |
| N34 | C35 | H35 | H35A | 118.7° | 119.8° |
| N34 | S36 | O37 | O38 | 120.8° | 116.7° |
| N34 | S36 | O37 | C39 | 105.3° | 111.7° |
| N34 | S36 | O38 | C39 | 106.4° | 111.7° |
| S36 | N34 | C33 | H33 | 105.4° | 3.8° |
| S36 | N34 | C33 | H33A | 14.8° | 124.6° |
| S36 | N34 | C35 | H35 | 41.5° | 104.6° |
| S36 | N34 | C35 | H35A | 79.8° | 15.2° |
| N34 | S36 | C39 | H39 | 148.0° | 60.0° |
| N34 | S36 | C39 | H39A | 92.0° | 180.0° |
| N34 | S36 | C39 | H39B | 28.0° | 60.0° |
| O37 | S36 | O38 | C39 | 132.7° | 131.6° |
| O37 | S36 | C39 | H39 | 38.9° | 51.6° |
| O37 | S36 | C39 | H39A | 158.9° | 68.4° |
| O37 | S36 | C39 | H39B | 81.1° | 171.6° |
| O38 | S36 | C39 | H39 | 102.1° | 171.6° |
| O38 | S36 | C39 | H39A | 17.9° | 68.4° |
| O38 | S36 | C39 | H39B | 137.8° | 51.6° |
| S36 | C39 | H39 | H39A | 120.0° | 120.0° |
| S36 | C39 | H39 | H39B | 120.0° | 120.0° |
| S36 | C39 | H39A | H39B | 119.9° | 120.1° |
| H11 | C11 | C12 | H12 | 0.3° | 0.0° |
| H20 | C20 | C21 | H21 | 0.6° | 0.0° |
| H25 | C25 | H25A | H25B | 120.0° | 119.9° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| H27 | C27 | H27A | H27B | 120.0° | 120.0° |
| H29 | C29 | H29A | H29B | 120.0° | 120.1° |
| H32 | C32 | C33 | H33 | 49.3° | 46.7° |
| H32 | C32 | C33 | H33A | 70.9° | 167.5° |
| H32A | C32 | C33 | H33 | 169.7° | 72.5° |
| H32A | C32 | C33 | H33A | 49.5° | 48.2° |
| H39 | C39 | H39A | H39B | 120.0° | 119.9° |
