8HI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C17 | sing | 1.40Å | 1.36Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | C6 | sing | 1.48Å | 1.49Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | C9 | sing | 1.42Å | 1.37Å | Aromatic |
| C26 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | N | sing | 1.35Å | 1.36Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| N | C8 | sing | 1.38Å | 1.36Å | Aromatic |
| C8 | C16 | sing | 1.46Å | 1.50Å | |
| C15 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.48Å | 1.50Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | S | sing | 1.76Å | 1.61Å | |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | O3 | sing | 1.43Å | 1.43Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | O5 | sing | 1.34Å | 1.22Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O6 | C32 | doub | 1.21Å | 1.33Å | |
| C32 | C31 | sing | 1.51Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| O4 | C30 | sing | 1.43Å | 1.41Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| F | C | sing | 1.35Å | 1.35Å | |
| N | C23 | sing | 1.46Å | 1.50Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | O | doub | 1.22Å | 1.23Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| S | N2 | sing | 1.66Å | 1.61Å | |
| S | O2 | doub | 1.42Å | 1.43Å | |
| S | O1 | doub | 1.42Å | 1.42Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N1 | C17 | 125.1° | 120.0° |
| C16 | N1 | HN1 | 117.4° | 120.1° |
| N1 | C16 | C8 | 119.4° | 120.0° |
| N1 | C16 | O | 122.5° | 120.0° |
| C17 | N1 | HN1 | 117.5° | 119.9° |
| N1 | C17 | C18 | 116.0° | 120.1° |
| N1 | C17 | C22 | 125.2° | 120.0° |
| C5 | C4 | C3 | 119.9° | 119.9° |
| C5 | C4 | H4 | 120.1° | 120.1° |
| C4 | C5 | C | 119.8° | 120.1° |
| C4 | C5 | H5 | 120.1° | 119.9° |
| C3 | C4 | H4 | 120.0° | 120.1° |
| C4 | C3 | C6 | 124.1° | 120.1° |
| C4 | C3 | C2 | 119.6° | 119.8° |
| C | C5 | H5 | 120.1° | 120.0° |
| C5 | C | C1 | 120.0° | 120.2° |
| C5 | C | F | 121.6° | 119.9° |
| C3 | C6 | C7 | 124.2° | 126.2° |
| C3 | C6 | C9 | 126.3° | 126.3° |
| C6 | C3 | C2 | 116.3° | 120.1° |
| C7 | C6 | C9 | 109.3° | 107.5° |
| C6 | C7 | C26 | 125.8° | 125.5° |
| C6 | C7 | N | 105.9° | 109.1° |
| C6 | C9 | C8 | 107.2° | 106.6° |
| C6 | C9 | C10 | 123.1° | 126.7° |
| C26 | C7 | N | 128.3° | 125.5° |
| C7 | C26 | C27 | 112.1° | 109.5° |
| C7 | C26 | H26 | 108.6° | 109.4° |
| C7 | C26 | H26A | 108.0° | 109.4° |
| C7 | N | C8 | 110.5° | 109.2° |
| C7 | N | C23 | 124.2° | 125.5° |
| C9 | C8 | N | 106.9° | 107.6° |
| C9 | C8 | C16 | 124.7° | 126.2° |
| C8 | C9 | C10 | 129.6° | 126.7° |
| N | C8 | C16 | 128.3° | 126.2° |
| C8 | N | C23 | 125.3° | 125.4° |
| C8 | C16 | O | 116.0° | 119.9° |
| C15 | C10 | C9 | 121.5° | 120.1° |
| C15 | C10 | C11 | 119.3° | 119.7° |
| C10 | C15 | C14 | 120.1° | 119.8° |
| C10 | C15 | H15 | 120.0° | 120.1° |
| C9 | C10 | C11 | 119.1° | 120.1° |
| C10 | C11 | C12 | 120.8° | 119.8° |
| C10 | C11 | H11 | 119.6° | 120.0° |
| C14 | C13 | C12 | 119.6° | 120.3° |
| C14 | C13 | H13 | 120.2° | 119.8° |
| C13 | C14 | C15 | 120.5° | 120.1° |
| C13 | C14 | H14 | 119.8° | 120.0° |
| C12 | C13 | H13 | 120.2° | 119.9° |
| C13 | C12 | C11 | 119.7° | 120.2° |
| C13 | C12 | H12 | 120.2° | 119.9° |
| C14 | C15 | H15 | 119.9° | 120.1° |
| C15 | C14 | H14 | 119.7° | 119.9° |
| C18 | C17 | C22 | 118.7° | 119.9° |
| C17 | C18 | C19 | 121.4° | 119.9° |
| C17 | C18 | H18 | 119.3° | 120.0° |
| C17 | C22 | C21 | 119.9° | 119.9° |
| C17 | C22 | H22 | 120.0° | 120.1° |
| C19 | C20 | C21 | 118.7° | 120.2° |
| C19 | C20 | S | 120.1° | 119.9° |
| C20 | C19 | C18 | 120.1° | 120.0° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C21 | C20 | S | 121.3° | 119.9° |
| C20 | C21 | C22 | 121.1° | 120.1° |
| C20 | C21 | H21 | 119.4° | 120.0° |
| C20 | S | N2 | 109.3° | 107.2° |
| C20 | S | O2 | 109.6° | 106.5° |
| C20 | S | O1 | 110.3° | 106.4° |
| C22 | C21 | H21 | 119.4° | 119.9° |
| C21 | C22 | H22 | 120.1° | 120.0° |
| C23 | C24 | H24 | 109.5° | 109.5° |
| C23 | C24 | H24A | 109.5° | 109.5° |
| C23 | C24 | H24B | 109.5° | 109.5° |
| C24 | C23 | N | 110.6° | 109.5° |
| C24 | C23 | C25 | 111.6° | 109.5° |
| C24 | C23 | H23 | 108.0° | 109.4° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H24 | C24 | H24B | 109.5° | 109.4° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| C27 | C26 | H26 | 108.6° | 109.5° |
| C27 | C26 | H26A | 108.0° | 109.5° |
| C26 | C27 | C28 | 110.8° | 109.5° |
| C26 | C27 | H27 | 109.0° | 109.5° |
| C26 | C27 | H27A | 108.7° | 109.4° |
| H26 | C26 | H26A | 111.6° | 109.4° |
| C29 | C28 | O3 | 110.3° | 109.5° |
| C29 | C28 | C27 | 109.2° | 109.4° |
| C29 | C28 | H28 | 109.4° | 109.4° |
| C28 | C29 | C30 | 111.8° | 109.5° |
| C28 | C29 | H29 | 108.7° | 109.5° |
| C28 | C29 | H29A | 108.2° | 109.5° |
| O3 | C28 | C27 | 110.2° | 109.5° |
| O3 | C28 | H28 | 108.3° | 109.4° |
| C28 | O3 | HO3 | 109.5° | 113.9° |
| C27 | C28 | H28 | 109.4° | 109.5° |
| C28 | C27 | H27 | 109.0° | 109.5° |
| C28 | C27 | H27A | 108.7° | 109.5° |
| C32 | O5 | HO5 | 109.5° | 116.9° |
| O5 | C32 | O6 | 119.5° | 120.0° |
| O5 | C32 | C31 | 120.6° | 120.0° |
| O6 | C32 | C31 | 119.9° | 120.0° |
| C32 | C31 | C30 | 109.6° | 109.5° |
| C32 | C31 | H31 | 109.4° | 109.5° |
| C32 | C31 | H31A | 109.4° | 109.5° |
| C30 | C31 | H31 | 109.5° | 109.5° |
| C30 | C31 | H31A | 109.4° | 109.5° |
| C31 | C30 | O4 | 108.3° | 109.5° |
| C31 | C30 | C29 | 110.2° | 109.5° |
| C31 | C30 | H30 | 109.8° | 109.5° |
| H31 | C31 | H31A | 109.6° | 109.4° |
| O4 | C30 | C29 | 109.6° | 109.5° |
| O4 | C30 | H30 | 110.4° | 109.5° |
| C30 | O4 | HO4 | 109.5° | 114.0° |
| C29 | C30 | H30 | 108.5° | 109.5° |
| C30 | C29 | H29 | 108.7° | 109.5° |
| C30 | C29 | H29A | 108.2° | 109.5° |
| H29 | C29 | H29A | 111.4° | 109.4° |
| H27 | C27 | H27A | 110.5° | 109.5° |
| C3 | C2 | C1 | 120.5° | 119.9° |
| C3 | C2 | H2 | 119.7° | 120.1° |
| C1 | C2 | H2 | 119.7° | 120.0° |
| C2 | C1 | C | 120.2° | 120.1° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C | C1 | H1 | 119.9° | 119.9° |
| C1 | C | F | 118.4° | 119.9° |
| N | C23 | C25 | 111.8° | 109.5° |
| N | C23 | H23 | 107.8° | 109.5° |
| C25 | C23 | H23 | 106.7° | 109.4° |
| C23 | C25 | H25 | 109.5° | 109.4° |
| C23 | C25 | H25A | 109.5° | 109.5° |
| C23 | C25 | H25B | 109.5° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.4° |
| H25 | C25 | H25B | 109.5° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.5° |
| C12 | C11 | H11 | 119.6° | 120.1° |
| C11 | C12 | H12 | 120.1° | 119.9° |
| C19 | C18 | H18 | 119.3° | 120.0° |
| C18 | C19 | H19 | 120.0° | 120.0° |
| N2 | S | O2 | 109.0° | 106.4° |
| N2 | S | O1 | 109.8° | 106.4° |
| S | N2 | HN2 | 109.5° | 120.0° |
| S | N2 | HN2A | 109.4° | 120.0° |
| O2 | S | O1 | 108.8° | 123.2° |
| HN2 | N2 | HN2A | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | N1 | C17 | HN1 | 180.0° | 179.6° |
| N1 | C16 | C8 | C9 | 84.7° | 84.0° |
| N1 | C16 | C8 | N | 98.7° | 95.9° |
| N1 | C16 | C8 | O | 163.8° | 180.0° |
| C16 | N1 | C17 | C18 | 149.6° | 157.4° |
| C16 | N1 | C17 | C22 | 34.7° | 22.3° |
| C17 | N1 | C16 | C8 | 173.9° | 171.5° |
| N1 | C17 | C18 | C22 | 176.0° | 179.7° |
| N1 | C17 | C22 | C21 | 179.0° | 179.9° |
| N1 | C17 | C22 | H22 | 1.0° | 0.0° |
| C17 | N1 | C16 | O | 11.2° | 8.5° |
| N1 | C17 | C18 | C19 | 179.5° | 179.9° |
| N1 | C17 | C18 | H18 | 0.5° | 0.0° |
| HN1 | N1 | C16 | C8 | 6.0° | 8.9° |
| HN1 | N1 | C17 | C18 | 30.3° | 23.0° |
| HN1 | N1 | C17 | C22 | 145.4° | 157.3° |
| HN1 | N1 | C16 | O | 168.7° | 171.1° |
| C5 | C4 | C3 | H4 | 180.0° | 179.7° |
| C4 | C5 | C | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C6 | 179.8° | 179.8° |
| C5 | C4 | C3 | C2 | 0.1° | 0.2° |
| C4 | C5 | C | C1 | 0.5° | 0.5° |
| C4 | C5 | C | F | 179.6° | 180.0° |
| C3 | C4 | C5 | C | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.8° | 179.9° |
| C4 | C3 | C6 | C2 | 179.8° | 180.0° |
| C4 | C3 | C6 | C7 | 109.2° | 115.1° |
| C4 | C3 | C6 | C9 | 75.6° | 64.7° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| H4 | C4 | C5 | C | 179.8° | 179.7° |
| H4 | C4 | C5 | H5 | 0.2° | 0.3° |
| H4 | C4 | C3 | C6 | 0.3° | 0.0° |
| H4 | C4 | C3 | C2 | 179.9° | 180.0° |
| C5 | C | C1 | C2 | 0.6° | 0.8° |
| C5 | C | C1 | F | 179.2° | 179.4° |
| C5 | C | C1 | H1 | 179.4° | 179.7° |
| H5 | C5 | C | C1 | 179.5° | 179.4° |
| H5 | C5 | C | F | 0.4° | 0.0° |
| C3 | C6 | C7 | C9 | 175.9° | 179.8° |
| C3 | C6 | C7 | C26 | 4.3° | 0.2° |
| C3 | C6 | C7 | N | 178.2° | 179.7° |
| C3 | C6 | C9 | C8 | 178.9° | 179.8° |
| C3 | C6 | C9 | C10 | 5.1° | 0.3° |
| C6 | C3 | C2 | C1 | 179.6° | 180.0° |
| C6 | C3 | C2 | H2 | 0.4° | 0.0° |
| C6 | C7 | C26 | N | 176.9° | 180.0° |
| C7 | C6 | C9 | C8 | 3.2° | 0.0° |
| C6 | C7 | N | C8 | 0.6° | 0.1° |
| C7 | C6 | C9 | C10 | 179.1° | 179.9° |
| C6 | C7 | C26 | C27 | 111.2° | 90.0° |
| C6 | C7 | C26 | H26 | 8.8° | 30.0° |
| C6 | C7 | C26 | H26A | 129.9° | 150.0° |
| C7 | C6 | C3 | C2 | 70.6° | 65.0° |
| C6 | C7 | N | C23 | 178.5° | 180.0° |
| C9 | C6 | C7 | C26 | 179.8° | 180.0° |
| C9 | C6 | C7 | N | 2.3° | 0.0° |
| C6 | C9 | C8 | C10 | 175.6° | 179.9° |
| C6 | C9 | C8 | N | 2.7° | 0.1° |
| C6 | C9 | C8 | C16 | 179.9° | 180.0° |
| C6 | C9 | C10 | C15 | 57.8° | 65.2° |
| C6 | C9 | C10 | C11 | 119.2° | 115.0° |
| C9 | C6 | C3 | C2 | 104.6° | 115.3° |
| C26 | C7 | N | C8 | 178.0° | 180.0° |
| C7 | C26 | C27 | H26 | 120.0° | 120.0° |
| C7 | C26 | C27 | H26A | 118.9° | 120.0° |
| C7 | C26 | H26 | H26A | 118.9° | 119.9° |
| C7 | C26 | C27 | C28 | 164.9° | 180.0° |
| C7 | C26 | C27 | H27 | 75.1° | 60.0° |
| C7 | C26 | C27 | H27A | 45.4° | 60.0° |
| C26 | C7 | N | C23 | 1.1° | 0.0° |
| C7 | N | C8 | C9 | 1.3° | 0.1° |
| C7 | N | C8 | C23 | 179.1° | 180.0° |
| C7 | N | C8 | C16 | 178.4° | 180.0° |
| C7 | N | C23 | C24 | 118.8° | 115.5° |
| N | C7 | C26 | C27 | 71.9° | 90.0° |
| N | C7 | C26 | H26 | 168.1° | 150.0° |
| N | C7 | C26 | H26A | 47.0° | 30.1° |
| C7 | N | C23 | C25 | 116.1° | 124.4° |
| C7 | N | C23 | H23 | 0.9° | 4.5° |
| C9 | C8 | N | C16 | 177.0° | 179.9° |
| C8 | C9 | C10 | C15 | 127.3° | 114.6° |
| C8 | C9 | C10 | C11 | 55.7° | 65.1° |
| C9 | C8 | N | C23 | 179.6° | 180.0° |
| C9 | C8 | C16 | O | 111.5° | 95.9° |
| N | C8 | C9 | C10 | 178.3° | 179.9° |
| C8 | N | C23 | C24 | 60.1° | 64.6° |
| C8 | N | C23 | C25 | 65.0° | 55.5° |
| C8 | N | C23 | H23 | 178.0° | 175.5° |
| N | C8 | C16 | O | 65.1° | 84.2° |
| C16 | C8 | C9 | C10 | 4.5° | 0.1° |
| C16 | C8 | N | C23 | 2.6° | 0.1° |
| C15 | C10 | C9 | C11 | 177.0° | 179.7° |
| C10 | C15 | C14 | C13 | 0.6° | 0.0° |
| C10 | C15 | C14 | H15 | 180.0° | 180.0° |
| C15 | C10 | C11 | C12 | 1.5° | 0.2° |
| C15 | C10 | C11 | H11 | 178.5° | 179.8° |
| C10 | C15 | C14 | H14 | 179.3° | 179.7° |
| C9 | C10 | C15 | C14 | 178.4° | 180.0° |
| C9 | C10 | C15 | H15 | 1.6° | 0.0° |
| C9 | C10 | C11 | C12 | 178.6° | 180.0° |
| C9 | C10 | C11 | H11 | 1.4° | 0.0° |
| C10 | C11 | C12 | C13 | 0.7° | 0.0° |
| C11 | C10 | C15 | C14 | 1.5° | 0.3° |
| C11 | C10 | C15 | H15 | 178.6° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 179.3° | 179.7° |
| C14 | C13 | C12 | H13 | 180.0° | 179.8° |
| C13 | C14 | C15 | H14 | 180.0° | 179.7° |
| C13 | C14 | C15 | H15 | 179.4° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.3° |
| C14 | C13 | C12 | H12 | 179.8° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.3° |
| C13 | C12 | C11 | H12 | 180.0° | 179.7° |
| C13 | C12 | C11 | H11 | 179.3° | 179.9° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| H13 | C13 | C14 | C15 | 179.8° | 180.0° |
| H13 | C13 | C12 | C11 | 179.9° | 179.9° |
| H13 | C13 | C12 | H12 | 0.1° | 0.3° |
| H13 | C13 | C14 | H14 | 0.1° | 0.3° |
| H15 | C15 | C14 | H14 | 0.6° | 0.3° |
| C17 | C18 | C19 | C20 | 2.0° | 0.0° |
| C18 | C17 | C22 | C21 | 3.4° | 0.2° |
| C18 | C17 | C22 | H22 | 176.6° | 179.7° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | H19 | 178.0° | 180.0° |
| C17 | C22 | C21 | C20 | 1.9° | 0.0° |
| C17 | C22 | C21 | H22 | 180.0° | 180.0° |
| C17 | C22 | C21 | H21 | 178.1° | 180.0° |
| C22 | C17 | C18 | C19 | 3.5° | 0.2° |
| C22 | C17 | C18 | H18 | 176.5° | 179.7° |
| C19 | C20 | C21 | S | 179.9° | 179.8° |
| C19 | C20 | C21 | C22 | 0.3° | 0.3° |
| C19 | C20 | C21 | H21 | 179.7° | 179.7° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | H18 | 178.0° | 180.0° |
| C19 | C20 | S | N2 | 107.7° | 89.7° |
| C19 | C20 | S | O2 | 11.7° | 156.7° |
| C19 | C20 | S | O1 | 131.5° | 23.8° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | H22 | 178.1° | 180.0° |
| C21 | C20 | C19 | C18 | 0.4° | 0.3° |
| C21 | C20 | C19 | H19 | 179.6° | 179.8° |
| C21 | C20 | S | N2 | 72.5° | 90.0° |
| C21 | C20 | S | O2 | 168.2° | 23.5° |
| C21 | C20 | S | O1 | 48.4° | 156.5° |
| S | C20 | C21 | C22 | 179.8° | 180.0° |
| S | C20 | C21 | H21 | 0.2° | 0.1° |
| S | C20 | C19 | C18 | 179.8° | 179.9° |
| S | C20 | C19 | H19 | 0.2° | 0.0° |
| C20 | S | N2 | O2 | 119.7° | 113.6° |
| C20 | S | N2 | O1 | 121.1° | 113.5° |
| C20 | S | O2 | O1 | 120.7° | 123.0° |
| C20 | S | N2 | HN2 | 8.5° | 0.0° |
| C20 | S | N2 | HN2A | 111.4° | 180.0° |
| H21 | C21 | C22 | H22 | 1.9° | 0.0° |
| C23 | C24 | H24 | H24A | 120.0° | 120.1° |
| C23 | C24 | H24 | H24B | 120.0° | 119.9° |
| C23 | C24 | H24A | H24B | 120.0° | 120.0° |
| C24 | C23 | N | C25 | 125.1° | 120.1° |
| C24 | C23 | N | H23 | 117.9° | 120.0° |
| C24 | C23 | C25 | H23 | 117.8° | 119.9° |
| C24 | C23 | C25 | H25 | 5.7° | 52.7° |
| C24 | C23 | C25 | H25A | 114.3° | 67.2° |
| C24 | C23 | C25 | H25B | 125.7° | 172.7° |
| H24 | C24 | H24A | H24B | 120.0° | 119.9° |
| H24 | C24 | C23 | N | 63.7° | 53.4° |
| H24 | C24 | C23 | C25 | 171.1° | 173.5° |
| H24 | C24 | C23 | H23 | 54.1° | 66.6° |
| H24A | C24 | C23 | N | 56.3° | 173.5° |
| H24A | C24 | C23 | C25 | 68.9° | 66.5° |
| H24A | C24 | C23 | H23 | 174.1° | 53.5° |
| H24B | C24 | C23 | N | 176.3° | 66.5° |
| H24B | C24 | C23 | C25 | 51.1° | 53.6° |
| H24B | C24 | C23 | H23 | 65.9° | 173.5° |
| C27 | C26 | H26 | H26A | 118.9° | 120.1° |
| C26 | C27 | C28 | C29 | 152.4° | 175.0° |
| C26 | C27 | C28 | O3 | 86.2° | 65.0° |
| C26 | C27 | C28 | H27 | 120.0° | 120.0° |
| C26 | C27 | C28 | H27A | 119.4° | 120.0° |
| C26 | C27 | C28 | H28 | 32.8° | 55.0° |
| C26 | C27 | H27 | H27A | 119.4° | 120.0° |
| H26 | C26 | C27 | C28 | 44.8° | 60.0° |
| H26 | C26 | C27 | H27 | 164.8° | 180.0° |
| H26 | C26 | C27 | H27A | 74.6° | 60.0° |
| H26A | C26 | C27 | C28 | 76.3° | 60.0° |
| H26A | C26 | C27 | H27 | 43.7° | 60.0° |
| H26A | C26 | C27 | H27A | 164.3° | 180.0° |
| C29 | C28 | O3 | C27 | 120.7° | 120.0° |
| C29 | C28 | O3 | H28 | 119.6° | 120.0° |
| C29 | C28 | C27 | H28 | 119.7° | 120.0° |
| C28 | C29 | C30 | C31 | 177.0° | 175.0° |
| C28 | C29 | C30 | O4 | 63.8° | 65.0° |
| C28 | C29 | C30 | H29 | 120.0° | 120.0° |
| C28 | C29 | C30 | H29A | 119.0° | 120.1° |
| C28 | C29 | C30 | H30 | 56.8° | 55.0° |
| C28 | C29 | H29 | H29A | 119.0° | 120.0° |
| C29 | C28 | O3 | HO3 | 112.0° | 60.0° |
| C29 | C28 | C27 | H27 | 87.6° | 65.0° |
| C29 | C28 | C27 | H27A | 33.0° | 55.0° |
| O3 | C28 | C27 | H28 | 119.0° | 120.0° |
| O3 | C28 | C29 | C30 | 155.0° | 65.0° |
| O3 | C28 | C29 | H29 | 35.1° | 55.1° |
| O3 | C28 | C29 | H29A | 86.0° | 175.0° |
| O3 | C28 | C27 | H27 | 33.8° | 55.0° |
| O3 | C28 | C27 | H27A | 154.3° | 175.0° |
| C27 | C28 | C29 | C30 | 83.7° | 175.0° |
| C27 | C28 | C29 | H29 | 156.3° | 65.0° |
| C27 | C28 | C29 | H29A | 35.3° | 55.0° |
| C27 | C28 | O3 | HO3 | 8.7° | 60.0° |
| C28 | C27 | H27 | H27A | 119.5° | 120.1° |
| H28 | C28 | C29 | C30 | 36.0° | 55.0° |
| H28 | C28 | C29 | H29 | 83.9° | 175.0° |
| H28 | C28 | C29 | H29A | 155.0° | 65.0° |
| H28 | C28 | O3 | HO3 | 128.4° | 179.9° |
| H28 | C28 | C27 | H27 | 152.8° | 175.0° |
| H28 | C28 | C27 | H27A | 86.7° | 65.0° |
| O5 | C32 | O6 | C31 | 178.8° | 180.0° |
| O5 | C32 | C31 | C30 | 70.9° | 180.0° |
| O5 | C32 | C31 | H31 | 49.1° | 60.0° |
| O5 | C32 | C31 | H31A | 169.2° | 60.0° |
| HO5 | O5 | C32 | O6 | 0.0° | 0.0° |
| HO5 | O5 | C32 | C31 | 178.8° | 180.0° |
| O6 | C32 | C31 | C30 | 107.9° | 0.0° |
| O6 | C32 | C31 | H31 | 132.1° | 120.0° |
| O6 | C32 | C31 | H31A | 12.1° | 120.0° |
| C32 | C31 | C30 | H31 | 120.0° | 120.0° |
| C32 | C31 | C30 | H31A | 120.0° | 120.0° |
| C32 | C31 | H31 | H31A | 119.9° | 120.0° |
| C32 | C31 | C30 | O4 | 77.8° | 65.0° |
| C32 | C31 | C30 | C29 | 162.3° | 175.0° |
| C32 | C31 | C30 | H30 | 42.9° | 55.0° |
| C30 | C31 | H31 | H31A | 120.0° | 120.0° |
| C31 | C30 | O4 | C29 | 120.3° | 120.0° |
| C31 | C30 | O4 | H30 | 120.2° | 120.0° |
| C31 | C30 | C29 | H30 | 120.2° | 120.0° |
| C31 | C30 | O4 | HO4 | 19.7° | 60.0° |
| C31 | C30 | C29 | H29 | 63.0° | 64.9° |
| C31 | C30 | C29 | H29A | 58.0° | 55.0° |
| H31 | C31 | C30 | O4 | 162.2° | 175.0° |
| H31 | C31 | C30 | C29 | 42.3° | 55.0° |
| H31 | C31 | C30 | H30 | 77.1° | 65.0° |
| H31A | C31 | C30 | O4 | 42.2° | 55.0° |
| H31A | C31 | C30 | C29 | 77.7° | 65.0° |
| H31A | C31 | C30 | H30 | 162.8° | 175.0° |
| O4 | C30 | C29 | H30 | 120.7° | 120.0° |
| O4 | C30 | C29 | H29 | 56.2° | 55.0° |
| O4 | C30 | C29 | H29A | 177.2° | 175.0° |
| C29 | C30 | O4 | HO4 | 140.0° | 60.0° |
| C30 | C29 | H29 | H29A | 119.0° | 120.0° |
| H30 | C30 | O4 | HO4 | 100.5° | 179.9° |
| H30 | C30 | C29 | H29 | 176.8° | 175.0° |
| H30 | C30 | C29 | H29A | 62.2° | 65.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 0.5° | 0.6° |
| C3 | C2 | C1 | H1 | 179.5° | 180.0° |
| C2 | C1 | C | H1 | 180.0° | 179.5° |
| C2 | C1 | C | F | 179.8° | 179.7° |
| H2 | C2 | C1 | C | 179.5° | 179.4° |
| H2 | C2 | C1 | H1 | 0.5° | 0.0° |
| H1 | C1 | C | F | 0.2° | 0.3° |
| N | C23 | C25 | H23 | 117.6° | 120.0° |
| N | C23 | C25 | H25 | 130.3° | 67.4° |
| N | C23 | C25 | H25A | 10.3° | 172.7° |
| N | C23 | C25 | H25B | 109.7° | 52.6° |
| C23 | C25 | H25 | H25A | 120.0° | 120.0° |
| C23 | C25 | H25 | H25B | 120.0° | 120.0° |
| C23 | C25 | H25A | H25B | 120.0° | 120.1° |
| H23 | C23 | C25 | H25 | 112.1° | 172.7° |
| H23 | C23 | C25 | H25A | 127.9° | 52.7° |
| H23 | C23 | C25 | H25B | 7.9° | 67.4° |
| H25 | C25 | H25A | H25B | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 0.7° | 0.3° |
| H18 | C18 | C19 | H19 | 2.0° | 0.1° |
| N2 | S | O2 | O1 | 119.8° | 122.9° |
| S | N2 | HN2 | HN2A | 120.0° | 180.0° |
| O2 | S | N2 | HN2 | 111.2° | 113.5° |
| O2 | S | N2 | HN2A | 128.9° | 66.4° |
| O1 | S | N2 | HN2 | 129.7° | 113.6° |
| O1 | S | N2 | HN2A | 9.7° | 66.5° |
