YK3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.51Å | 1.48Å | |
| C23 | N4 | doub | 1.31Å | 1.31Å | Aromatic |
| C23 | N2 | sing | 1.36Å | 1.37Å | Aromatic |
| N4 | N3 | sing | 1.29Å | 1.40Å | Aromatic |
| S1 | C21 | sing | 1.71Å | 1.72Å | Aromatic |
| S1 | C1 | sing | 1.75Å | 1.74Å | Aromatic |
| N2 | C21 | sing | 1.40Å | 1.41Å | |
| N2 | C22 | sing | 1.36Å | 1.37Å | Aromatic |
| N3 | C22 | doub | 1.30Å | 1.32Å | Aromatic |
| C21 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | C14 | sing | 1.51Å | 1.50Å | |
| C | C1 | sing | 1.51Å | 1.49Å | |
| C1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| C4 | C2 | sing | 1.45Å | 1.45Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.47Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C14 | N1 | sing | 1.46Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | N1 | doub | 1.29Å | 1.28Å | |
| C5 | C6 | sing | 1.48Å | 1.49Å | |
| C12 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| O | S | doub | 1.42Å | 1.43Å | |
| C9 | N | sing | 1.39Å | 1.42Å | |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | O2 | sing | 1.34Å | 1.34Å | |
| C16 | O3 | doub | 1.21Å | 1.21Å | |
| N | S | sing | 1.66Å | 1.63Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | C10 | sing | 1.81Å | 1.75Å | |
| O2 | C17 | sing | 1.45Å | 1.48Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | C20 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.08Å | 1.08Å | |
| C12 | H23 | sing | 1.08Å | 1.08Å | |
| C8 | H24 | sing | 1.08Å | 1.08Å | |
| C7 | H25 | sing | 1.08Å | 1.08Å | |
| N | H26 | sing | 0.97Å | 1.00Å | |
| C10 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | N4 | 127.4° | 126.7° |
| C24 | C23 | N2 | 124.1° | 126.7° |
| C23 | C24 | H13 | 109.5° | 109.5° |
| C23 | C24 | H14 | 109.5° | 109.5° |
| C23 | C24 | H15 | 109.5° | 109.5° |
| N4 | C23 | N2 | 108.6° | 106.7° |
| C23 | N4 | N3 | 108.1° | 110.0° |
| C23 | N2 | C21 | 131.1° | 128.9° |
| C23 | N2 | C22 | 107.5° | 106.6° |
| N4 | N3 | C22 | 107.7° | 109.7° |
| C21 | S1 | C1 | 94.5° | 92.6° |
| S1 | C21 | N2 | 123.9° | 125.0° |
| S1 | C21 | C4 | 108.8° | 111.0° |
| S1 | C1 | C | 120.7° | 124.7° |
| S1 | C1 | C2 | 110.9° | 110.7° |
| C21 | N2 | C22 | 121.4° | 124.6° |
| N2 | C21 | C4 | 127.2° | 124.0° |
| N2 | C22 | N3 | 108.2° | 107.1° |
| N2 | C22 | C14 | 118.2° | 125.1° |
| N3 | C22 | C14 | 133.6° | 127.8° |
| C21 | C4 | C2 | 113.1° | 111.7° |
| C21 | C4 | C5 | 122.1° | 124.8° |
| C22 | C14 | N1 | 112.8° | 109.1° |
| C22 | C14 | C15 | 113.2° | 109.5° |
| C22 | C14 | H12 | 107.7° | 109.6° |
| C | C1 | C2 | 128.4° | 124.7° |
| C1 | C | H19 | 109.5° | 109.5° |
| C1 | C | H20 | 109.4° | 109.5° |
| C1 | C | H21 | 109.4° | 109.4° |
| C1 | C2 | C4 | 112.7° | 113.9° |
| C1 | C2 | C3 | 123.7° | 123.1° |
| C2 | C4 | C5 | 124.8° | 123.5° |
| C4 | C2 | C3 | 123.6° | 123.0° |
| C4 | C5 | N1 | 124.0° | 125.9° |
| C4 | C5 | C6 | 120.7° | 117.0° |
| C2 | C3 | H16 | 109.5° | 109.5° |
| C2 | C3 | H17 | 109.5° | 109.5° |
| C2 | C3 | H18 | 109.5° | 109.5° |
| N1 | C14 | C15 | 107.5° | 109.6° |
| C14 | N1 | C5 | 118.2° | 122.4° |
| N1 | C14 | H12 | 108.1° | 109.6° |
| C14 | C15 | C16 | 105.9° | 109.4° |
| C14 | C15 | H10 | 110.4° | 109.5° |
| C14 | C15 | H11 | 110.3° | 109.5° |
| C15 | C14 | H12 | 107.3° | 109.5° |
| C12 | C13 | C6 | 120.9° | 119.9° |
| C13 | C12 | C9 | 119.8° | 120.1° |
| C12 | C13 | H22 | 119.6° | 120.0° |
| C13 | C12 | H23 | 120.1° | 119.9° |
| C13 | C6 | C5 | 121.1° | 120.0° |
| C13 | C6 | C7 | 118.6° | 119.9° |
| C6 | C13 | H22 | 119.5° | 120.1° |
| N1 | C5 | C6 | 115.2° | 117.0° |
| C5 | C6 | C7 | 120.2° | 120.1° |
| C12 | C9 | N | 123.4° | 119.9° |
| C12 | C9 | C8 | 119.8° | 120.1° |
| C9 | C12 | H23 | 120.1° | 120.0° |
| C15 | C16 | O2 | 110.8° | 120.0° |
| C15 | C16 | O3 | 121.9° | 120.1° |
| C16 | C15 | H10 | 110.3° | 109.5° |
| C16 | C15 | H11 | 110.4° | 109.5° |
| C6 | C7 | C8 | 120.6° | 119.9° |
| C6 | C7 | H25 | 119.7° | 120.0° |
| O | S | N | 107.9° | 104.3° |
| O | S | O1 | 118.8° | 121.0° |
| O | S | C10 | 104.6° | 110.6° |
| N | C9 | C8 | 116.7° | 119.9° |
| C9 | N | S | 130.2° | 120.0° |
| C9 | N | H26 | 104.1° | 120.0° |
| C9 | C8 | C7 | 120.2° | 120.1° |
| C9 | C8 | H24 | 119.9° | 120.0° |
| C7 | C8 | H24 | 119.9° | 119.9° |
| C8 | C7 | H25 | 119.7° | 120.1° |
| O2 | C16 | O3 | 127.3° | 119.9° |
| C16 | O2 | C17 | 122.7° | 117.1° |
| N | S | O1 | 106.1° | 104.3° |
| N | S | C10 | 114.4° | 104.4° |
| S | N | H26 | 104.1° | 120.0° |
| O1 | S | C10 | 105.3° | 110.6° |
| S | C10 | C11 | 113.8° | 109.5° |
| S | C10 | H27 | 108.4° | 109.4° |
| S | C10 | H28 | 108.4° | 109.5° |
| O2 | C17 | C18 | 107.1° | 109.4° |
| O2 | C17 | C20 | 107.9° | 109.5° |
| O2 | C17 | C19 | 108.5° | 109.4° |
| C11 | C10 | H27 | 108.4° | 109.5° |
| C11 | C10 | H28 | 108.4° | 109.5° |
| C10 | C11 | H29 | 109.5° | 109.5° |
| C10 | C11 | H30 | 109.4° | 109.5° |
| C10 | C11 | H31 | 109.5° | 109.4° |
| C18 | C17 | C20 | 111.4° | 109.5° |
| C18 | C17 | C19 | 110.4° | 109.5° |
| C17 | C18 | H7 | 109.5° | 109.5° |
| C17 | C18 | H8 | 109.4° | 109.5° |
| C17 | C18 | H9 | 109.4° | 109.5° |
| C20 | C17 | C19 | 111.3° | 109.5° |
| C17 | C20 | H1 | 109.5° | 109.5° |
| C17 | C20 | H2 | 109.5° | 109.5° |
| C17 | C20 | H3 | 109.5° | 109.5° |
| C17 | C19 | H4 | 109.5° | 109.5° |
| C17 | C19 | H5 | 109.5° | 109.4° |
| C17 | C19 | H6 | 109.4° | 109.4° |
| H1 | C20 | H2 | 109.5° | 109.5° |
| H1 | C20 | H3 | 109.5° | 109.5° |
| H2 | C20 | H3 | 109.4° | 109.5° |
| H4 | C19 | H5 | 109.5° | 109.5° |
| H4 | C19 | H6 | 109.5° | 109.5° |
| H5 | C19 | H6 | 109.5° | 109.5° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H7 | C18 | H9 | 109.5° | 109.5° |
| H8 | C18 | H9 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H13 | C24 | H15 | 109.5° | 109.4° |
| H14 | C24 | H15 | 109.4° | 109.5° |
| H16 | C3 | H17 | 109.5° | 109.4° |
| H16 | C3 | H18 | 109.5° | 109.5° |
| H17 | C3 | H18 | 109.5° | 109.5° |
| H19 | C | H20 | 109.5° | 109.5° |
| H19 | C | H21 | 109.5° | 109.4° |
| H20 | C | H21 | 109.5° | 109.5° |
| H27 | C10 | H28 | 109.5° | 109.5° |
| H29 | C11 | H30 | 109.5° | 109.5° |
| H29 | C11 | H31 | 109.5° | 109.5° |
| H30 | C11 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | N4 | N2 | 179.2° | 180.0° |
| C24 | C23 | N4 | N3 | 180.0° | 179.7° |
| C24 | C23 | N2 | C21 | 2.5° | 1.1° |
| C24 | C23 | N2 | C22 | 179.9° | 179.4° |
| C23 | C24 | H13 | H14 | 120.0° | 120.0° |
| C23 | C24 | H13 | H15 | 120.0° | 120.0° |
| C23 | C24 | H14 | H15 | 120.0° | 120.0° |
| N4 | C23 | N2 | C21 | 178.3° | 178.9° |
| N4 | C23 | N2 | C22 | 0.8° | 0.6° |
| C23 | N4 | N3 | C22 | 0.5° | 0.2° |
| N4 | C23 | C24 | H13 | 0.0° | 89.9° |
| N4 | C23 | C24 | H14 | 120.0° | 150.1° |
| N4 | C23 | C24 | H15 | 120.0° | 30.0° |
| N2 | C23 | N4 | N3 | 0.8° | 0.3° |
| C23 | N2 | C21 | S1 | 39.1° | 33.1° |
| C23 | N2 | C21 | C22 | 177.1° | 179.4° |
| C23 | N2 | C22 | N3 | 0.5° | 0.7° |
| C23 | N2 | C21 | C4 | 145.1° | 146.9° |
| C23 | N2 | C22 | C14 | 178.1° | 179.1° |
| N2 | C23 | C24 | H13 | 179.1° | 90.0° |
| N2 | C23 | C24 | H14 | 59.1° | 30.0° |
| N2 | C23 | C24 | H15 | 60.9° | 150.0° |
| N4 | N3 | C22 | N2 | 0.0° | 0.6° |
| N4 | N3 | C22 | C14 | 178.2° | 179.3° |
| S1 | C21 | N2 | C4 | 175.8° | 180.0° |
| S1 | C21 | N2 | C22 | 138.0° | 146.3° |
| C21 | S1 | C1 | C | 178.2° | 179.0° |
| C21 | S1 | C1 | C2 | 0.2° | 0.9° |
| S1 | C21 | C4 | C2 | 1.0° | 2.5° |
| S1 | C21 | C4 | C5 | 178.0° | 175.9° |
| C1 | S1 | C21 | N2 | 176.0° | 178.0° |
| C1 | S1 | C21 | C4 | 0.5° | 2.0° |
| S1 | C1 | C | C2 | 178.1° | 179.9° |
| S1 | C1 | C2 | C4 | 0.9° | 0.3° |
| S1 | C1 | C2 | C3 | 179.1° | 179.7° |
| S1 | C1 | C | H19 | 0.0° | 0.1° |
| S1 | C1 | C | H20 | 120.0° | 119.9° |
| S1 | C1 | C | H21 | 120.0° | 120.1° |
| C21 | N2 | C22 | N3 | 178.3° | 178.8° |
| C21 | N2 | C22 | C14 | 0.3° | 1.3° |
| N2 | C21 | C4 | C2 | 175.3° | 177.5° |
| N2 | C21 | C4 | C5 | 1.6° | 4.1° |
| N2 | C22 | N3 | C14 | 178.3° | 179.8° |
| C22 | N2 | C21 | C4 | 37.8° | 33.7° |
| N2 | C22 | C14 | N1 | 69.3° | 59.5° |
| N2 | C22 | C14 | C15 | 168.3° | 60.4° |
| N2 | C22 | C14 | H12 | 49.9° | 179.4° |
| N3 | C22 | C14 | N1 | 112.6° | 120.3° |
| N3 | C22 | C14 | C15 | 9.8° | 119.8° |
| N3 | C22 | C14 | H12 | 128.3° | 0.4° |
| C21 | C4 | C2 | C1 | 1.3° | 1.9° |
| C21 | C4 | C2 | C5 | 176.8° | 178.4° |
| C21 | C4 | C2 | C3 | 179.4° | 178.2° |
| C21 | C4 | C5 | N1 | 42.2° | 37.8° |
| C21 | C4 | C5 | C6 | 136.6° | 142.2° |
| C22 | C14 | N1 | C15 | 125.5° | 119.9° |
| C22 | C14 | N1 | H12 | 118.9° | 119.9° |
| C22 | C14 | C15 | H12 | 118.6° | 120.2° |
| C22 | C14 | N1 | C5 | 69.7° | 62.5° |
| C22 | C14 | C15 | C16 | 167.4° | 175.4° |
| C22 | C14 | C15 | H10 | 48.0° | 55.4° |
| C22 | C14 | C15 | H11 | 73.1° | 64.7° |
| C | C1 | C2 | C4 | 177.4° | 179.7° |
| C | C1 | C2 | C3 | 0.8° | 0.2° |
| C1 | C | H19 | H20 | 120.0° | 120.0° |
| C1 | C | H19 | H21 | 120.0° | 120.0° |
| C1 | C | H20 | H21 | 120.0° | 120.0° |
| C1 | C2 | C4 | C3 | 178.2° | 180.0° |
| C1 | C2 | C4 | C5 | 178.1° | 176.6° |
| C1 | C2 | C3 | H16 | 89.0° | 84.7° |
| C1 | C2 | C3 | H17 | 151.0° | 35.2° |
| C1 | C2 | C3 | H18 | 31.0° | 155.3° |
| C2 | C1 | C | H19 | 178.1° | 180.0° |
| C2 | C1 | C | H20 | 58.1° | 60.0° |
| C2 | C1 | C | H21 | 61.9° | 60.0° |
| C2 | C4 | C5 | N1 | 134.4° | 144.0° |
| C2 | C4 | C5 | C6 | 46.8° | 36.1° |
| C4 | C2 | C3 | H16 | 89.0° | 95.2° |
| C4 | C2 | C3 | H17 | 31.0° | 144.8° |
| C4 | C2 | C3 | H18 | 151.0° | 24.8° |
| C5 | C4 | C2 | C3 | 3.7° | 3.4° |
| C4 | C5 | N1 | C14 | 1.2° | 4.8° |
| C4 | C5 | C6 | C13 | 29.1° | 147.6° |
| C4 | C5 | N1 | C6 | 178.8° | 180.0° |
| C4 | C5 | C6 | C7 | 152.5° | 32.6° |
| C2 | C3 | H16 | H17 | 120.0° | 120.0° |
| C2 | C3 | H16 | H18 | 120.0° | 120.0° |
| C2 | C3 | H17 | H18 | 120.0° | 120.0° |
| N1 | C14 | C15 | H12 | 116.0° | 120.2° |
| C14 | N1 | C5 | C6 | 177.6° | 175.2° |
| N1 | C14 | C15 | C16 | 42.1° | 65.0° |
| N1 | C14 | C15 | H10 | 77.3° | 175.0° |
| N1 | C14 | C15 | H11 | 161.6° | 55.0° |
| C15 | C14 | N1 | C5 | 164.7° | 57.4° |
| C14 | C15 | C16 | H10 | 119.4° | 120.0° |
| C14 | C15 | C16 | H11 | 119.4° | 120.0° |
| C14 | C15 | C16 | O2 | 63.4° | 180.0° |
| C14 | C15 | C16 | O3 | 113.7° | 0.3° |
| C14 | C15 | H10 | H11 | 121.6° | 120.0° |
| C12 | C13 | C6 | H22 | 180.0° | 179.9° |
| C12 | C13 | C6 | C5 | 178.8° | 179.9° |
| C13 | C12 | C9 | H23 | 180.0° | 180.0° |
| C12 | C13 | C6 | C7 | 0.4° | 0.2° |
| C13 | C12 | C9 | N | 179.1° | 180.0° |
| C13 | C12 | C9 | C8 | 0.3° | 0.0° |
| C13 | C6 | C5 | N1 | 149.8° | 32.4° |
| C13 | C6 | C5 | C7 | 178.4° | 179.8° |
| C6 | C13 | C12 | C9 | 0.5° | 0.0° |
| C13 | C6 | C7 | C8 | 0.0° | 0.5° |
| C6 | C13 | C12 | H23 | 179.5° | 180.0° |
| C13 | C6 | C7 | H25 | 180.0° | 179.7° |
| N1 | C5 | C6 | C7 | 28.7° | 147.4° |
| C5 | N1 | C14 | H12 | 49.2° | 177.6° |
| C5 | C6 | C7 | C8 | 178.5° | 179.8° |
| C5 | C6 | C13 | H22 | 1.2° | 0.0° |
| C5 | C6 | C7 | H25 | 1.5° | 0.0° |
| C12 | C9 | N | C8 | 179.5° | 180.0° |
| C12 | C9 | C8 | C7 | 0.0° | 0.3° |
| C12 | C9 | N | S | 44.3° | 74.2° |
| C9 | C12 | C13 | H22 | 179.4° | 180.0° |
| C12 | C9 | C8 | H24 | 180.0° | 180.0° |
| C12 | C9 | N | H26 | 78.4° | 105.7° |
| C15 | C16 | O2 | O3 | 176.9° | 179.8° |
| C15 | C16 | O2 | C17 | 176.2° | 179.8° |
| C16 | C15 | H10 | H11 | 121.6° | 120.0° |
| C16 | C15 | C14 | H12 | 73.9° | 55.2° |
| C6 | C7 | C8 | C9 | 0.2° | 0.5° |
| C6 | C7 | C8 | H25 | 180.0° | 179.8° |
| C7 | C6 | C13 | H22 | 179.6° | 179.7° |
| C6 | C7 | C8 | H24 | 179.8° | 179.7° |
| O | S | N | C9 | 54.4° | 179.3° |
| O | S | N | O1 | 128.3° | 127.9° |
| O | S | N | C10 | 116.0° | 116.1° |
| O | S | O1 | C10 | 116.7° | 131.6° |
| O | S | C10 | C11 | 168.7° | 72.0° |
| O | S | N | H26 | 68.3° | 0.7° |
| O | S | C10 | H27 | 48.1° | 168.0° |
| O | S | C10 | H28 | 70.6° | 48.0° |
| N | C9 | C8 | C7 | 179.5° | 179.7° |
| C9 | N | S | H26 | 122.7° | 179.9° |
| C9 | N | S | O1 | 177.3° | 52.8° |
| C9 | N | S | C10 | 61.6° | 63.3° |
| N | C9 | C12 | H23 | 0.9° | 0.0° |
| N | C9 | C8 | H24 | 0.5° | 0.1° |
| C9 | C8 | C7 | H24 | 180.0° | 179.8° |
| C8 | C9 | N | S | 136.3° | 105.8° |
| C8 | C9 | C12 | H23 | 179.7° | 180.0° |
| C9 | C8 | C7 | H25 | 179.8° | 179.7° |
| C8 | C9 | N | H26 | 101.1° | 74.3° |
| C16 | O2 | C17 | C18 | 178.8° | 60.0° |
| C16 | O2 | C17 | C20 | 61.1° | 180.0° |
| C16 | O2 | C17 | C19 | 59.6° | 60.0° |
| O2 | C16 | C15 | H10 | 177.2° | 60.0° |
| O2 | C16 | C15 | H11 | 56.1° | 60.1° |
| O3 | C16 | O2 | C17 | 0.6° | 0.0° |
| O3 | C16 | C15 | H10 | 5.7° | 120.2° |
| O3 | C16 | C15 | H11 | 126.9° | 119.7° |
| N | S | O1 | C10 | 121.7° | 111.7° |
| N | S | C10 | C11 | 50.9° | 176.4° |
| N | S | C10 | H27 | 69.7° | 56.4° |
| N | S | C10 | H28 | 171.5° | 63.6° |
| O1 | S | C10 | C11 | 65.2° | 64.7° |
| O1 | S | N | H26 | 60.0° | 127.1° |
| O1 | S | C10 | H27 | 174.1° | 55.2° |
| O1 | S | C10 | H28 | 55.4° | 175.2° |
| S | C10 | C11 | H27 | 120.6° | 120.0° |
| S | C10 | C11 | H28 | 120.6° | 120.0° |
| C10 | S | N | H26 | 175.7° | 116.8° |
| S | C10 | H27 | H28 | 118.1° | 120.0° |
| S | C10 | C11 | H29 | 180.0° | 60.0° |
| S | C10 | C11 | H30 | 60.0° | 60.0° |
| S | C10 | C11 | H31 | 60.0° | 180.0° |
| O2 | C17 | C18 | C20 | 117.8° | 120.0° |
| O2 | C17 | C18 | C19 | 117.9° | 119.9° |
| O2 | C17 | C20 | C19 | 118.9° | 120.0° |
| O2 | C17 | C20 | H1 | 180.0° | 60.0° |
| O2 | C17 | C20 | H2 | 60.0° | 180.0° |
| O2 | C17 | C20 | H3 | 60.0° | 60.0° |
| O2 | C17 | C19 | H4 | 180.0° | 60.0° |
| O2 | C17 | C19 | H5 | 60.0° | 180.0° |
| O2 | C17 | C19 | H6 | 60.0° | 60.1° |
| O2 | C17 | C18 | H7 | 180.0° | 60.0° |
| O2 | C17 | C18 | H8 | 60.0° | 179.9° |
| O2 | C17 | C18 | H9 | 60.0° | 60.0° |
| C11 | C10 | H27 | H28 | 118.0° | 120.0° |
| C10 | C11 | H29 | H30 | 120.0° | 120.0° |
| C10 | C11 | H29 | H31 | 120.0° | 120.0° |
| C10 | C11 | H30 | H31 | 120.0° | 120.0° |
| C18 | C17 | C20 | C19 | 123.8° | 120.0° |
| C18 | C17 | C20 | H1 | 62.7° | 180.0° |
| C18 | C17 | C20 | H2 | 57.3° | 60.0° |
| C18 | C17 | C20 | H3 | 177.3° | 60.0° |
| C18 | C17 | C19 | H4 | 62.9° | 60.0° |
| C18 | C17 | C19 | H5 | 177.0° | 60.0° |
| C18 | C17 | C19 | H6 | 57.0° | 180.0° |
| C17 | C18 | H7 | H8 | 120.0° | 120.0° |
| C17 | C18 | H7 | H9 | 120.0° | 120.0° |
| C17 | C18 | H8 | H9 | 120.0° | 120.0° |
| C17 | C20 | H1 | H2 | 120.0° | 120.0° |
| C17 | C20 | H1 | H3 | 120.0° | 120.0° |
| C17 | C20 | H2 | H3 | 120.0° | 120.0° |
| C20 | C17 | C19 | H4 | 61.4° | 179.9° |
| C20 | C17 | C19 | H5 | 58.6° | 59.9° |
| C20 | C17 | C19 | H6 | 178.6° | 60.0° |
| C20 | C17 | C18 | H7 | 62.2° | 60.0° |
| C20 | C17 | C18 | H8 | 177.8° | 60.0° |
| C20 | C17 | C18 | H9 | 57.8° | 180.0° |
| C19 | C17 | C20 | H1 | 61.1° | 60.0° |
| C19 | C17 | C20 | H2 | 178.9° | 60.0° |
| C19 | C17 | C20 | H3 | 59.0° | 180.0° |
| C17 | C19 | H4 | H5 | 120.0° | 120.0° |
| C17 | C19 | H4 | H6 | 120.0° | 120.0° |
| C17 | C19 | H5 | H6 | 120.0° | 119.9° |
| C19 | C17 | C18 | H7 | 62.1° | 180.0° |
| C19 | C17 | C18 | H8 | 57.9° | 60.0° |
| C19 | C17 | C18 | H9 | 177.9° | 60.0° |
| H1 | C20 | H2 | H3 | 120.0° | 120.0° |
| H4 | C19 | H5 | H6 | 120.0° | 120.0° |
| H7 | C18 | H8 | H9 | 120.0° | 120.0° |
| H10 | C15 | C14 | H12 | 166.7° | 64.8° |
| H11 | C15 | C14 | H12 | 45.5° | 175.2° |
| H13 | C24 | H14 | H15 | 120.0° | 119.9° |
| H16 | C3 | H17 | H18 | 120.0° | 120.0° |
| H19 | C | H20 | H21 | 120.1° | 120.0° |
| H22 | C13 | C12 | H23 | 0.6° | 0.0° |
| H24 | C8 | C7 | H25 | 0.2° | 0.1° |
| H27 | C10 | C11 | H29 | 59.4° | 180.0° |
| H27 | C10 | C11 | H30 | 179.4° | 60.0° |
| H27 | C10 | C11 | H31 | 60.6° | 60.0° |
| H28 | C10 | C11 | H29 | 59.4° | 60.0° |
| H28 | C10 | C11 | H30 | 60.7° | 180.0° |
| H28 | C10 | C11 | H31 | 179.4° | 60.0° |
| H29 | C11 | H30 | H31 | 120.0° | 120.0° |
