QHZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| O5 | C8 | doub | 1.22Å | 1.22Å | |
| O4 | C8 | sing | 1.35Å | 1.32Å | |
| C12 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.49Å | |
| C8 | C7 | sing | 1.47Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | C18 | sing | 1.53Å | 1.50Å | |
| C7 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C7 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C18 | sing | 1.53Å | 1.49Å | |
| C10 | C9 | sing | 1.51Å | 1.46Å | |
| C6 | N3 | doub | 1.30Å | 1.32Å | Aromatic |
| C9 | N2 | sing | 1.35Å | 1.36Å | Aromatic |
| C25 | O6 | sing | 1.43Å | 1.43Å | |
| N3 | N2 | sing | 1.40Å | 1.37Å | Aromatic |
| N2 | C5 | sing | 1.40Å | 1.43Å | |
| O6 | C24 | sing | 1.36Å | 1.37Å | |
| C26 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| O3 | C2 | doub | 1.21Å | 1.26Å | |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | N1 | sing | 1.46Å | 1.45Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | O2 | sing | 1.34Å | 1.24Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | N1 | sing | 1.40Å | 1.38Å | |
| C3 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | S1 | sing | 1.76Å | 1.75Å | |
| N1 | S1 | sing | 1.66Å | 1.69Å | |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| S1 | O1 | doub | 1.42Å | 1.43Å | |
| S1 | O7 | doub | 1.42Å | 1.42Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| O2 | H25 | sing | 0.97Å | 0.95Å | |
| O4 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 120.1° | 120.0° |
| C14 | C15 | C16 | 119.6° | 120.0° |
| C15 | C14 | H9 | 119.9° | 120.0° |
| C14 | C15 | H10 | 120.2° | 119.9° |
| C14 | C13 | C12 | 121.0° | 120.0° |
| C14 | C13 | H8 | 119.5° | 120.0° |
| C13 | C14 | H9 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C16 | C15 | H10 | 120.2° | 120.1° |
| C15 | C16 | H11 | 119.9° | 120.0° |
| C13 | C12 | C17 | 118.1° | 120.0° |
| C13 | C12 | C11 | 120.5° | 120.0° |
| C12 | C13 | H8 | 119.5° | 120.0° |
| C16 | C17 | C12 | 120.9° | 120.0° |
| C17 | C16 | H11 | 119.9° | 119.9° |
| C16 | C17 | H12 | 119.5° | 120.0° |
| O5 | C8 | O4 | 121.6° | 120.0° |
| O5 | C8 | C7 | 124.4° | 120.0° |
| O4 | C8 | C7 | 114.0° | 120.0° |
| C8 | O4 | H5 | 109.5° | 117.1° |
| C17 | C12 | C11 | 121.4° | 120.0° |
| C12 | C17 | H12 | 119.5° | 120.1° |
| C12 | C11 | C10 | 115.5° | 117.5° |
| C12 | C11 | C18 | 125.8° | 117.5° |
| C12 | C11 | H7 | 114.9° | 115.5° |
| C8 | C7 | C6 | 129.4° | 126.4° |
| C8 | C7 | C9 | 125.2° | 126.4° |
| C10 | C11 | C18 | 58.9° | 60.0° |
| C11 | C10 | C18 | 60.0° | 60.0° |
| C11 | C10 | C9 | 117.3° | 117.5° |
| C11 | C10 | H6 | 114.8° | 117.5° |
| C10 | C11 | H7 | 114.4° | 117.5° |
| C11 | C18 | C10 | 61.1° | 60.0° |
| C18 | C11 | H7 | 114.7° | 117.5° |
| C11 | C18 | H14 | 119.8° | 117.5° |
| C11 | C18 | H13 | 119.8° | 117.5° |
| C6 | C7 | C9 | 105.4° | 107.2° |
| C7 | C6 | N3 | 111.2° | 108.1° |
| C7 | C6 | H4 | 124.4° | 125.9° |
| C7 | C9 | C10 | 127.3° | 126.3° |
| C7 | C9 | N2 | 107.0° | 107.4° |
| C18 | C10 | C9 | 121.8° | 117.5° |
| C18 | C10 | H6 | 115.3° | 117.4° |
| C10 | C18 | H14 | 119.8° | 117.5° |
| C10 | C18 | H13 | 119.8° | 117.5° |
| C10 | C9 | N2 | 125.8° | 126.3° |
| C9 | C10 | H6 | 115.8° | 115.6° |
| C6 | N3 | N2 | 106.2° | 109.0° |
| N3 | C6 | H4 | 124.4° | 126.0° |
| C9 | N2 | N3 | 110.2° | 108.5° |
| C9 | N2 | C5 | 129.7° | 125.8° |
| C25 | O6 | C24 | 118.1° | 117.0° |
| O6 | C25 | H21 | 109.5° | 109.5° |
| O6 | C25 | H20 | 109.5° | 109.4° |
| O6 | C25 | H19 | 109.5° | 109.5° |
| N3 | N2 | C5 | 120.0° | 125.8° |
| N2 | C5 | C4 | 117.9° | 120.0° |
| N2 | C5 | C19 | 121.1° | 120.0° |
| O6 | C24 | C26 | 121.1° | 120.1° |
| O6 | C24 | C23 | 119.3° | 120.0° |
| C24 | C26 | C27 | 119.6° | 119.9° |
| C26 | C24 | C23 | 119.7° | 119.9° |
| C24 | C26 | H22 | 120.2° | 120.0° |
| C26 | C27 | C28 | 121.1° | 120.1° |
| C27 | C26 | H22 | 120.2° | 120.1° |
| C26 | C27 | H23 | 119.4° | 119.9° |
| C24 | C23 | C22 | 120.3° | 119.9° |
| C24 | C23 | H18 | 119.8° | 120.0° |
| C4 | C5 | C19 | 120.9° | 119.9° |
| C5 | C4 | C3 | 119.5° | 119.9° |
| C5 | C4 | H3 | 120.3° | 120.1° |
| C5 | C19 | C20 | 118.9° | 120.1° |
| C5 | C19 | H15 | 120.6° | 119.9° |
| C4 | C3 | N1 | 118.2° | 120.1° |
| C4 | C3 | C21 | 120.2° | 119.9° |
| C3 | C4 | H3 | 120.2° | 120.1° |
| O3 | C2 | C1 | 117.2° | 120.0° |
| O3 | C2 | O2 | 125.4° | 120.0° |
| C27 | C28 | C22 | 118.8° | 120.1° |
| C28 | C27 | H23 | 119.4° | 120.0° |
| C27 | C28 | H24 | 120.6° | 120.0° |
| C2 | C1 | N1 | 117.6° | 109.5° |
| C1 | C2 | O2 | 117.4° | 120.0° |
| C2 | C1 | H2 | 107.4° | 109.5° |
| C2 | C1 | H1 | 107.4° | 109.4° |
| C1 | N1 | C3 | 119.9° | 120.0° |
| C1 | N1 | S1 | 117.7° | 120.0° |
| N1 | C1 | H2 | 107.4° | 109.5° |
| N1 | C1 | H1 | 107.4° | 109.4° |
| C23 | C22 | C28 | 120.5° | 120.1° |
| C23 | C22 | S1 | 119.4° | 120.0° |
| C22 | C23 | H18 | 119.8° | 120.1° |
| C2 | O2 | H25 | 109.5° | 117.0° |
| C19 | C20 | C21 | 120.8° | 120.2° |
| C20 | C19 | H15 | 120.6° | 120.0° |
| C19 | C20 | H16 | 119.6° | 119.9° |
| C28 | C22 | S1 | 120.1° | 119.9° |
| C22 | C28 | H24 | 120.6° | 119.9° |
| N1 | C3 | C21 | 121.6° | 120.0° |
| C3 | N1 | S1 | 121.3° | 120.0° |
| C3 | C21 | C20 | 119.7° | 120.0° |
| C3 | C21 | H17 | 120.2° | 120.0° |
| C22 | S1 | N1 | 105.2° | 107.2° |
| C22 | S1 | O1 | 108.6° | 106.4° |
| C22 | S1 | O7 | 107.0° | 106.4° |
| N1 | S1 | O1 | 106.7° | 106.4° |
| N1 | S1 | O7 | 109.7° | 106.4° |
| C21 | C20 | H16 | 119.6° | 119.9° |
| C20 | C21 | H17 | 120.2° | 120.0° |
| O1 | S1 | O7 | 118.9° | 123.2° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H14 | C18 | H13 | 109.4° | 115.6° |
| H21 | C25 | H20 | 109.5° | 109.5° |
| H21 | C25 | H19 | 109.5° | 109.5° |
| H20 | C25 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H9 | 180.0° | 179.9° |
| C14 | C15 | C16 | H10 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.6° | 0.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.1° |
| C15 | C14 | C13 | H8 | 179.4° | 180.0° |
| C14 | C15 | C16 | H11 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.1° |
| C14 | C13 | C12 | H8 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 1.2° | 0.0° |
| C14 | C13 | C12 | C11 | 179.5° | 179.8° |
| C13 | C14 | C15 | H10 | 180.0° | 180.0° |
| C15 | C16 | C17 | H11 | 180.0° | 179.9° |
| C15 | C16 | C17 | C12 | 0.6° | 0.1° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C15 | C16 | C17 | H12 | 179.4° | 179.8° |
| C13 | C12 | C17 | C16 | 1.2° | 0.1° |
| C13 | C12 | C17 | C11 | 179.3° | 179.8° |
| C13 | C12 | C11 | C10 | 146.1° | 60.3° |
| C13 | C12 | C11 | C18 | 145.1° | 8.4° |
| C13 | C12 | C11 | H7 | 9.4° | 154.0° |
| C12 | C13 | C14 | H9 | 179.4° | 179.9° |
| C13 | C12 | C17 | H12 | 178.8° | 179.7° |
| C16 | C17 | C12 | H12 | 180.0° | 179.7° |
| C16 | C17 | C12 | C11 | 179.5° | 179.7° |
| C17 | C16 | C15 | H10 | 180.0° | 179.9° |
| O5 | C8 | O4 | C7 | 177.2° | 180.0° |
| O5 | C8 | C7 | C6 | 63.7° | 179.0° |
| O5 | C8 | C7 | C9 | 116.1° | 0.8° |
| O5 | C8 | O4 | H5 | 0.0° | 0.0° |
| O4 | C8 | C7 | C6 | 119.1° | 1.0° |
| O4 | C8 | C7 | C9 | 61.0° | 179.2° |
| C17 | C12 | C11 | C10 | 33.2° | 120.0° |
| C17 | C12 | C11 | C18 | 35.6° | 171.4° |
| C17 | C12 | C11 | H7 | 169.9° | 25.7° |
| C17 | C12 | C13 | H8 | 178.8° | 180.0° |
| C12 | C17 | C16 | H11 | 179.4° | 180.0° |
| C12 | C11 | C10 | C18 | 118.0° | 107.5° |
| C12 | C11 | C10 | H7 | 136.8° | 145.0° |
| C12 | C11 | C18 | H7 | 154.6° | 145.0° |
| C12 | C11 | C10 | C9 | 129.2° | 145.0° |
| C12 | C11 | C10 | H6 | 11.8° | 0.1° |
| C11 | C12 | C13 | H8 | 0.5° | 0.3° |
| C11 | C12 | C17 | H12 | 0.5° | 0.0° |
| C12 | C11 | C18 | H14 | 149.5° | 0.0° |
| C12 | C11 | C18 | H13 | 9.1° | 145.0° |
| C8 | C7 | C6 | C9 | 179.9° | 179.9° |
| C8 | C7 | C9 | C10 | 1.0° | 0.1° |
| C8 | C7 | C6 | N3 | 179.7° | 179.9° |
| C8 | C7 | C9 | N2 | 179.6° | 180.0° |
| C8 | C7 | C6 | H4 | 0.3° | 0.1° |
| C7 | C8 | O4 | H5 | 177.2° | 180.0° |
| C10 | C11 | C18 | H7 | 104.7° | 107.5° |
| C11 | C10 | C9 | C7 | 35.1° | 130.3° |
| C11 | C10 | C18 | C9 | 105.4° | 107.6° |
| C11 | C10 | C18 | H6 | 105.2° | 107.5° |
| C11 | C10 | C9 | H6 | 140.7° | 145.8° |
| C11 | C10 | C9 | N2 | 143.3° | 49.7° |
| C10 | C11 | C18 | H14 | 109.8° | 107.5° |
| C10 | C11 | C18 | H13 | 109.8° | 107.5° |
| C11 | C18 | H14 | H13 | 144.1° | 145.7° |
| C6 | C7 | C9 | C10 | 178.8° | 180.0° |
| C7 | C6 | N3 | H4 | 180.0° | 179.8° |
| C6 | C7 | C9 | N2 | 0.2° | 0.1° |
| C7 | C6 | N3 | N2 | 1.0° | 0.0° |
| C7 | C9 | C10 | C18 | 105.1° | 61.7° |
| C7 | C9 | C10 | N2 | 178.4° | 179.9° |
| C9 | C7 | C6 | N3 | 0.5° | 0.1° |
| C7 | C9 | N2 | N3 | 0.8° | 0.1° |
| C7 | C9 | N2 | C5 | 178.1° | 180.0° |
| C7 | C9 | C10 | H6 | 105.6° | 83.9° |
| C9 | C7 | C6 | H4 | 179.5° | 179.7° |
| C18 | C10 | C9 | H6 | 149.3° | 145.6° |
| C18 | C10 | C9 | N2 | 73.2° | 118.4° |
| C10 | C18 | H14 | H13 | 144.1° | 145.7° |
| C10 | C9 | N2 | N3 | 179.5° | 180.0° |
| C10 | C9 | N2 | C5 | 3.2° | 0.0° |
| C9 | C10 | C11 | H7 | 7.6° | 0.0° |
| C9 | C10 | C18 | H14 | 4.4° | 145.0° |
| C9 | C10 | C18 | H13 | 144.9° | 0.0° |
| C6 | N3 | N2 | C9 | 1.1° | 0.0° |
| C6 | N3 | N2 | C5 | 178.7° | 180.0° |
| C9 | N2 | N3 | C5 | 177.6° | 179.9° |
| C9 | N2 | C5 | C4 | 58.4° | 136.2° |
| C9 | N2 | C5 | C19 | 120.6° | 44.4° |
| N2 | C9 | C10 | H6 | 76.0° | 96.0° |
| C25 | O6 | C24 | C26 | 22.8° | 0.1° |
| C25 | O6 | C24 | C23 | 157.8° | 180.0° |
| O6 | C25 | H21 | H20 | 120.0° | 119.9° |
| O6 | C25 | H21 | H19 | 120.0° | 120.0° |
| O6 | C25 | H20 | H19 | 120.0° | 120.0° |
| N3 | N2 | C5 | C4 | 118.6° | 43.7° |
| N3 | N2 | C5 | C19 | 62.3° | 135.7° |
| N2 | N3 | C6 | H4 | 179.0° | 179.8° |
| N2 | C5 | C4 | C19 | 179.0° | 179.4° |
| N2 | C5 | C4 | C3 | 179.2° | 180.0° |
| N2 | C5 | C19 | C20 | 179.7° | 180.0° |
| N2 | C5 | C19 | H15 | 0.3° | 0.3° |
| N2 | C5 | C4 | H3 | 0.8° | 0.3° |
| O6 | C24 | C26 | C23 | 179.4° | 179.9° |
| O6 | C24 | C26 | C27 | 179.8° | 180.0° |
| O6 | C24 | C23 | C22 | 179.3° | 180.0° |
| O6 | C24 | C23 | H18 | 0.7° | 0.0° |
| C24 | O6 | C25 | H21 | 180.0° | 59.9° |
| C24 | O6 | C25 | H20 | 60.0° | 60.0° |
| C24 | O6 | C25 | H19 | 60.0° | 180.0° |
| O6 | C24 | C26 | H22 | 0.2° | 0.1° |
| C24 | C26 | C27 | H22 | 180.0° | 179.9° |
| C24 | C26 | C27 | C28 | 0.1° | 0.2° |
| C26 | C24 | C23 | C22 | 0.1° | 0.1° |
| C26 | C24 | C23 | H18 | 179.9° | 179.9° |
| C24 | C26 | C27 | H23 | 179.9° | 179.9° |
| C27 | C26 | C24 | C23 | 0.4° | 0.1° |
| C26 | C27 | C28 | H23 | 180.0° | 179.7° |
| C26 | C27 | C28 | C22 | 0.8° | 0.5° |
| C26 | C27 | C28 | H24 | 179.2° | 180.0° |
| C24 | C23 | C22 | H18 | 180.0° | 180.0° |
| C24 | C23 | C22 | C28 | 0.9° | 0.2° |
| C24 | C23 | C22 | S1 | 179.0° | 180.0° |
| C23 | C24 | C26 | H22 | 179.6° | 180.0° |
| C5 | C4 | C3 | H3 | 180.0° | 179.7° |
| C4 | C5 | C19 | C20 | 1.3° | 0.6° |
| C5 | C4 | C3 | N1 | 179.2° | 179.8° |
| C5 | C4 | C3 | C21 | 1.3° | 0.3° |
| C4 | C5 | C19 | H15 | 178.8° | 179.6° |
| C19 | C5 | C4 | C3 | 1.7° | 0.6° |
| C5 | C19 | C20 | H15 | 180.0° | 179.8° |
| C5 | C19 | C20 | C21 | 0.4° | 0.3° |
| C5 | C19 | C20 | H16 | 179.6° | 179.8° |
| C19 | C5 | C4 | H3 | 178.3° | 179.7° |
| C4 | C3 | N1 | C1 | 58.7° | 62.2° |
| C4 | C3 | N1 | C21 | 179.4° | 179.9° |
| C4 | C3 | N1 | S1 | 109.4° | 117.8° |
| C4 | C3 | C21 | C20 | 0.5° | 0.0° |
| C4 | C3 | C21 | H17 | 179.5° | 180.0° |
| O3 | C2 | C1 | O2 | 179.9° | 179.9° |
| O3 | C2 | C1 | N1 | 157.1° | 0.1° |
| O3 | C2 | C1 | H2 | 36.0° | 120.0° |
| O3 | C2 | C1 | H1 | 81.7° | 120.0° |
| O3 | C2 | O2 | H25 | 0.0° | 0.0° |
| C27 | C28 | C22 | C23 | 1.3° | 0.5° |
| C27 | C28 | C22 | H24 | 180.0° | 179.5° |
| C27 | C28 | C22 | S1 | 179.3° | 179.7° |
| C28 | C27 | C26 | H22 | 179.9° | 179.7° |
| C2 | C1 | N1 | H2 | 121.2° | 120.1° |
| C2 | C1 | N1 | H1 | 121.2° | 119.9° |
| C2 | C1 | N1 | C3 | 81.4° | 85.1° |
| C2 | C1 | N1 | S1 | 110.2° | 95.0° |
| C2 | C1 | H2 | H1 | 116.3° | 120.0° |
| C1 | C2 | O2 | H25 | 179.8° | 179.9° |
| N1 | C1 | C2 | O2 | 22.7° | 180.0° |
| C1 | N1 | C3 | S1 | 168.1° | 180.0° |
| C1 | N1 | C3 | C21 | 120.8° | 117.7° |
| C1 | N1 | S1 | C22 | 83.5° | 83.6° |
| C1 | N1 | S1 | O1 | 31.7° | 30.0° |
| C1 | N1 | S1 | O7 | 161.7° | 162.9° |
| N1 | C1 | H2 | H1 | 116.3° | 120.0° |
| C23 | C22 | C28 | S1 | 178.0° | 179.8° |
| C23 | C22 | S1 | N1 | 96.4° | 90.0° |
| C23 | C22 | S1 | O1 | 17.5° | 156.5° |
| C23 | C22 | S1 | O7 | 147.0° | 23.6° |
| C23 | C22 | C28 | H24 | 178.7° | 180.0° |
| O2 | C2 | C1 | H2 | 143.9° | 59.9° |
| O2 | C2 | C1 | H1 | 98.4° | 60.1° |
| C19 | C20 | C21 | C3 | 0.0° | 0.0° |
| C19 | C20 | C21 | H16 | 180.0° | 180.0° |
| C19 | C20 | C21 | H17 | 180.0° | 180.0° |
| C28 | C22 | S1 | N1 | 81.7° | 90.2° |
| C28 | C22 | S1 | O1 | 164.4° | 23.3° |
| C28 | C22 | S1 | O7 | 35.0° | 156.2° |
| C28 | C22 | C23 | H18 | 179.1° | 179.8° |
| C22 | C28 | C27 | H23 | 179.2° | 179.8° |
| C3 | N1 | S1 | C22 | 84.8° | 96.5° |
| N1 | C3 | C21 | C20 | 179.9° | 179.9° |
| C3 | N1 | S1 | O1 | 160.0° | 150.0° |
| C3 | N1 | S1 | O7 | 30.0° | 17.1° |
| C3 | N1 | C1 | H2 | 157.5° | 35.0° |
| C3 | N1 | C1 | H1 | 39.8° | 155.0° |
| N1 | C3 | C21 | H17 | 0.1° | 0.1° |
| N1 | C3 | C4 | H3 | 0.8° | 0.1° |
| C21 | C3 | N1 | S1 | 71.2° | 62.3° |
| C3 | C21 | C20 | H17 | 180.0° | 180.0° |
| C3 | C21 | C20 | H16 | 180.0° | 180.0° |
| C21 | C3 | C4 | H3 | 178.7° | 180.0° |
| C22 | S1 | N1 | O1 | 115.2° | 113.6° |
| C22 | S1 | N1 | O7 | 114.8° | 113.5° |
| C22 | S1 | O1 | O7 | 122.5° | 123.0° |
| S1 | C22 | C23 | H18 | 1.0° | 0.0° |
| S1 | C22 | C28 | H24 | 0.7° | 0.2° |
| N1 | S1 | O1 | O7 | 124.6° | 122.9° |
| S1 | N1 | C1 | H2 | 11.0° | 145.0° |
| S1 | N1 | C1 | H1 | 128.7° | 25.0° |
| C21 | C20 | C19 | H15 | 179.6° | 179.9° |
| H6 | C10 | C11 | H7 | 148.7° | 145.1° |
| H6 | C10 | C18 | H14 | 145.0° | 0.1° |
| H6 | C10 | C18 | H13 | 4.5° | 145.0° |
| H7 | C11 | C18 | H14 | 5.1° | 145.0° |
| H7 | C11 | C18 | H13 | 145.5° | 0.0° |
| H8 | C13 | C14 | H9 | 0.6° | 0.0° |
| H9 | C14 | C15 | H10 | 0.0° | 0.1° |
| H10 | C15 | C16 | H11 | 0.0° | 0.0° |
| H11 | C16 | C17 | H12 | 0.6° | 0.3° |
| H15 | C19 | C20 | H16 | 0.4° | 0.0° |
| H16 | C20 | C21 | H17 | 0.0° | 0.0° |
| H21 | C25 | H20 | H19 | 120.0° | 120.0° |
| H22 | C26 | C27 | H23 | 0.1° | 0.0° |
| H23 | C27 | C28 | H24 | 0.8° | 0.3° |
