LQX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C5 | N1 | sing | 1.46Å | 1.49Å | |
| O1 | C6 | doub | 1.22Å | 1.21Å | |
| C23 | N5 | sing | 1.46Å | 1.47Å | |
| C4 | N5 | sing | 1.35Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.35Å | 1.39Å | Aromatic |
| N5 | N6 | sing | 1.40Å | 1.37Å | Aromatic |
| C6 | N1 | sing | 1.34Å | 1.39Å | |
| C6 | N2 | sing | 1.34Å | 1.41Å | |
| N1 | C22 | sing | 1.39Å | 1.40Å | |
| C9 | N3 | sing | 1.32Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.34Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| N6 | C2 | doub | 1.31Å | 1.33Å | Aromatic |
| N3 | C10 | doub | 1.29Å | 1.33Å | Aromatic |
| C7 | N2 | sing | 1.46Å | 1.49Å | |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| N2 | C12 | sing | 1.35Å | 1.40Å | |
| C8 | S1 | sing | 1.76Å | 1.68Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C22 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C13 | doub | 1.41Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C10 | S1 | sing | 1.71Å | 1.65Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.48Å | |
| C12 | C13 | sing | 1.47Å | 1.47Å | |
| C12 | O2 | doub | 1.22Å | 1.22Å | |
| C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | S2 | sing | 1.76Å | 1.78Å | |
| C16 | C19 | sing | 1.53Å | 1.51Å | |
| C16 | N4 | sing | 1.47Å | 1.44Å | |
| C16 | C18 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.49Å | |
| N4 | S2 | sing | 1.66Å | 1.63Å | |
| S2 | O4 | doub | 1.42Å | 1.44Å | |
| S2 | O3 | doub | 1.42Å | 1.43Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | N1 | 109.4° | 109.5° |
| C5 | C4 | N5 | 122.1° | 126.1° |
| C5 | C4 | C3 | 133.0° | 126.1° |
| C4 | C5 | H6 | 109.5° | 109.5° |
| C4 | C5 | H7 | 109.5° | 109.5° |
| C5 | N1 | C6 | 118.7° | 119.7° |
| C5 | N1 | C22 | 119.4° | 119.7° |
| N1 | C5 | H6 | 109.5° | 109.5° |
| N1 | C5 | H7 | 109.4° | 109.4° |
| O1 | C6 | N1 | 119.5° | 118.6° |
| O1 | C6 | N2 | 120.7° | 118.5° |
| C23 | N5 | C4 | 130.2° | 126.1° |
| C23 | N5 | N6 | 117.5° | 126.0° |
| N5 | C23 | H24 | 109.5° | 109.5° |
| N5 | C23 | H25 | 109.5° | 109.4° |
| N5 | C23 | H26 | 109.5° | 109.5° |
| N5 | C4 | C3 | 104.9° | 107.8° |
| C4 | N5 | N6 | 112.3° | 107.9° |
| C4 | C3 | C2 | 106.6° | 107.9° |
| C4 | C3 | H5 | 126.7° | 126.1° |
| N5 | N6 | C2 | 104.8° | 108.2° |
| N1 | C6 | N2 | 119.9° | 122.9° |
| C6 | N1 | C22 | 121.6° | 120.6° |
| C6 | N2 | C7 | 118.2° | 119.4° |
| C6 | N2 | C12 | 121.9° | 121.2° |
| N1 | C22 | C21 | 120.8° | 121.6° |
| N1 | C22 | C13 | 119.3° | 118.8° |
| N3 | C9 | C8 | 113.0° | 114.5° |
| C9 | N3 | C10 | 115.7° | 117.1° |
| N3 | C9 | H10 | 123.5° | 122.7° |
| C9 | C8 | C7 | 128.2° | 126.0° |
| C9 | C8 | S1 | 107.9° | 108.0° |
| C8 | C9 | H10 | 123.5° | 122.8° |
| C3 | C2 | N6 | 111.3° | 108.3° |
| C3 | C2 | C1 | 130.2° | 125.9° |
| C2 | C3 | H5 | 126.7° | 126.1° |
| N6 | C2 | C1 | 118.5° | 125.9° |
| N3 | C10 | S1 | 107.5° | 110.2° |
| N3 | C10 | C11 | 126.5° | 124.9° |
| N2 | C7 | C8 | 111.0° | 109.5° |
| C7 | N2 | C12 | 119.9° | 119.4° |
| N2 | C7 | H8 | 109.1° | 109.5° |
| N2 | C7 | H9 | 109.1° | 109.4° |
| C7 | C8 | S1 | 123.4° | 126.0° |
| C8 | C7 | H8 | 109.1° | 109.5° |
| C8 | C7 | H9 | 109.1° | 109.5° |
| N2 | C12 | C13 | 117.0° | 118.3° |
| N2 | C12 | O2 | 120.8° | 120.8° |
| C8 | S1 | C10 | 95.9° | 90.3° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H4 | 109.5° | 109.4° |
| C21 | C22 | C13 | 119.9° | 119.7° |
| C22 | C21 | C20 | 119.9° | 119.8° |
| C22 | C21 | H23 | 120.0° | 120.2° |
| C22 | C13 | C12 | 120.3° | 118.2° |
| C22 | C13 | C14 | 119.3° | 120.0° |
| C21 | C20 | C15 | 120.0° | 120.6° |
| C21 | C20 | H22 | 120.0° | 119.7° |
| C20 | C21 | H23 | 120.1° | 120.1° |
| C17 | C16 | C19 | 119.0° | 117.5° |
| C17 | C16 | N4 | 114.6° | 115.5° |
| C17 | C16 | C18 | 119.4° | 117.5° |
| C16 | C17 | H15 | 109.5° | 109.5° |
| C16 | C17 | H16 | 109.5° | 109.5° |
| C16 | C17 | H17 | 109.5° | 109.5° |
| S1 | C10 | C11 | 125.9° | 124.9° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H12 | 109.5° | 109.5° |
| C10 | C11 | H13 | 109.4° | 109.4° |
| C13 | C12 | O2 | 122.2° | 120.9° |
| C12 | C13 | C14 | 120.4° | 121.7° |
| C13 | C14 | C15 | 119.9° | 119.5° |
| C13 | C14 | H14 | 120.0° | 120.3° |
| C20 | C15 | C14 | 120.9° | 120.4° |
| C20 | C15 | S2 | 118.6° | 119.8° |
| C15 | C20 | H22 | 120.0° | 119.7° |
| C14 | C15 | S2 | 120.4° | 119.8° |
| C15 | C14 | H14 | 120.0° | 120.2° |
| C15 | S2 | N4 | 107.1° | 107.2° |
| C15 | S2 | O4 | 107.2° | 106.4° |
| C15 | S2 | O3 | 108.2° | 106.4° |
| C19 | C16 | N4 | 114.4° | 117.5° |
| C19 | C16 | C18 | 58.9° | 60.0° |
| C16 | C19 | C18 | 60.5° | 60.0° |
| C16 | C19 | H20 | 119.9° | 117.5° |
| C16 | C19 | H21 | 119.9° | 117.5° |
| N4 | C16 | C18 | 119.1° | 117.5° |
| C16 | N4 | S2 | 122.9° | 120.0° |
| C16 | N4 | H1 | 106.0° | 120.0° |
| C16 | C18 | C19 | 60.5° | 60.0° |
| C16 | C18 | H18 | 119.9° | 117.5° |
| C16 | C18 | H19 | 119.9° | 117.5° |
| C19 | C18 | H18 | 119.9° | 117.5° |
| C19 | C18 | H19 | 119.9° | 117.6° |
| C18 | C19 | H20 | 119.9° | 117.5° |
| C18 | C19 | H21 | 119.9° | 117.5° |
| N4 | S2 | O4 | 103.4° | 106.4° |
| N4 | S2 | O3 | 112.7° | 106.4° |
| S2 | N4 | H1 | 106.0° | 120.0° |
| O4 | S2 | O3 | 117.7° | 123.2° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H4 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.4° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| H8 | C7 | H9 | 109.5° | 109.4° |
| H11 | C11 | H12 | 109.4° | 109.5° |
| H11 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.4° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H15 | C17 | H17 | 109.5° | 109.4° |
| H16 | C17 | H17 | 109.4° | 109.4° |
| H18 | C18 | H19 | 109.4° | 115.5° |
| H20 | C19 | H21 | 109.5° | 115.5° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H24 | C23 | H26 | 109.4° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | N1 | H6 | 120.0° | 120.0° |
| C4 | C5 | N1 | H7 | 120.0° | 120.0° |
| C5 | C4 | N5 | C23 | 0.0° | 0.3° |
| C5 | C4 | N5 | C3 | 178.1° | 180.0° |
| C5 | C4 | N5 | N6 | 177.9° | 180.0° |
| C4 | C5 | N1 | C6 | 103.6° | 95.3° |
| C4 | C5 | N1 | C22 | 70.7° | 84.4° |
| C5 | C4 | C3 | C2 | 179.0° | 180.0° |
| C5 | C4 | C3 | H5 | 1.0° | 0.0° |
| C4 | C5 | H6 | H7 | 120.0° | 120.0° |
| C5 | N1 | C6 | O1 | 4.8° | 0.0° |
| N1 | C5 | C4 | N5 | 92.2° | 84.4° |
| N1 | C5 | C4 | C3 | 85.3° | 95.6° |
| C5 | N1 | C6 | C22 | 174.2° | 179.7° |
| C5 | N1 | C6 | N2 | 175.7° | 180.0° |
| C5 | N1 | C22 | C21 | 5.2° | 0.5° |
| C5 | N1 | C22 | C13 | 174.0° | 179.8° |
| N1 | C5 | H6 | H7 | 120.0° | 120.0° |
| O1 | C6 | N1 | N2 | 179.5° | 180.0° |
| O1 | C6 | N1 | C22 | 179.0° | 179.7° |
| O1 | C6 | N2 | C7 | 1.8° | 0.0° |
| O1 | C6 | N2 | C12 | 177.4° | 179.9° |
| C23 | N5 | C4 | N6 | 178.0° | 179.7° |
| C23 | N5 | C4 | C3 | 178.1° | 179.7° |
| C23 | N5 | N6 | C2 | 179.7° | 179.7° |
| N5 | C23 | H24 | H25 | 120.0° | 120.0° |
| N5 | C23 | H24 | H26 | 120.0° | 120.0° |
| N5 | C23 | H25 | H26 | 120.0° | 120.0° |
| N5 | C4 | C3 | C2 | 1.2° | 0.0° |
| C4 | N5 | N6 | C2 | 1.5° | 0.0° |
| N5 | C4 | C3 | H5 | 178.8° | 180.0° |
| N5 | C4 | C5 | H6 | 27.8° | 155.6° |
| N5 | C4 | C5 | H7 | 147.8° | 35.6° |
| C4 | N5 | C23 | H24 | 177.8° | 85.5° |
| C4 | N5 | C23 | H25 | 62.1° | 34.5° |
| C4 | N5 | C23 | H26 | 57.9° | 154.5° |
| C3 | C4 | N5 | N6 | 0.2° | 0.0° |
| C4 | C3 | C2 | H5 | 180.0° | 180.0° |
| C4 | C3 | C2 | N6 | 2.2° | 0.0° |
| C4 | C3 | C2 | C1 | 178.0° | 180.0° |
| C3 | C4 | C5 | H6 | 154.7° | 24.4° |
| C3 | C4 | C5 | H7 | 34.7° | 144.4° |
| N5 | N6 | C2 | C3 | 2.2° | 0.0° |
| N5 | N6 | C2 | C1 | 177.9° | 180.0° |
| N6 | N5 | C23 | H24 | 0.0° | 94.8° |
| N6 | N5 | C23 | H25 | 120.0° | 145.2° |
| N6 | N5 | C23 | H26 | 120.0° | 25.2° |
| N1 | C6 | N2 | C7 | 177.7° | 180.0° |
| N1 | C6 | N2 | C12 | 3.1° | 0.1° |
| C6 | N1 | C22 | C21 | 179.3° | 179.8° |
| C6 | N1 | C22 | C13 | 0.1° | 0.5° |
| C6 | N1 | C5 | H6 | 16.4° | 144.7° |
| C6 | N1 | C5 | H7 | 136.5° | 24.8° |
| N2 | C6 | N1 | C22 | 1.5° | 0.3° |
| C6 | N2 | C7 | C12 | 179.2° | 179.9° |
| C6 | N2 | C7 | C8 | 62.8° | 90.0° |
| C6 | N2 | C12 | C13 | 2.9° | 0.1° |
| C6 | N2 | C12 | O2 | 178.6° | 179.9° |
| C6 | N2 | C7 | H8 | 57.4° | 150.0° |
| C6 | N2 | C7 | H9 | 177.0° | 30.1° |
| N1 | C22 | C21 | C13 | 179.2° | 179.3° |
| N1 | C22 | C21 | C20 | 179.6° | 179.7° |
| N1 | C22 | C13 | C12 | 0.3° | 0.4° |
| N1 | C22 | C13 | C14 | 179.1° | 179.8° |
| C22 | N1 | C5 | H6 | 169.3° | 35.6° |
| C22 | N1 | C5 | H7 | 49.2° | 155.5° |
| N1 | C22 | C21 | H23 | 0.5° | 0.5° |
| N3 | C9 | C8 | H10 | 180.0° | 180.0° |
| N3 | C9 | C8 | C7 | 171.9° | 180.0° |
| N3 | C9 | C8 | S1 | 0.4° | 0.3° |
| C9 | N3 | C10 | S1 | 0.6° | 0.2° |
| C9 | N3 | C10 | C11 | 178.7° | 180.0° |
| C8 | C9 | N3 | C10 | 0.1° | 0.0° |
| C9 | C8 | C7 | N2 | 66.5° | 90.3° |
| C9 | C8 | C7 | S1 | 171.1° | 179.6° |
| C9 | C8 | S1 | C10 | 0.6° | 0.4° |
| C9 | C8 | C7 | H8 | 53.8° | 29.7° |
| C9 | C8 | C7 | H9 | 173.3° | 149.7° |
| C3 | C2 | N6 | C1 | 179.9° | 180.0° |
| C3 | C2 | C1 | H2 | 179.8° | 89.9° |
| C3 | C2 | C1 | H3 | 59.8° | 150.0° |
| C3 | C2 | C1 | H4 | 60.1° | 30.0° |
| N6 | C2 | C1 | H2 | 0.0° | 90.0° |
| N6 | C2 | C1 | H3 | 120.0° | 30.0° |
| N6 | C2 | C1 | H4 | 120.0° | 150.0° |
| N6 | C2 | C3 | H5 | 177.8° | 180.0° |
| N3 | C10 | S1 | C8 | 0.7° | 0.3° |
| N3 | C10 | S1 | C11 | 178.2° | 179.7° |
| C10 | N3 | C9 | H10 | 179.9° | 180.0° |
| N3 | C10 | C11 | H11 | 0.0° | 90.0° |
| N3 | C10 | C11 | H12 | 120.0° | 150.0° |
| N3 | C10 | C11 | H13 | 120.0° | 30.1° |
| N2 | C7 | C8 | H8 | 120.2° | 120.1° |
| N2 | C7 | C8 | H9 | 120.2° | 120.0° |
| N2 | C7 | C8 | S1 | 104.6° | 90.0° |
| C7 | N2 | C12 | C13 | 177.9° | 180.0° |
| C7 | N2 | C12 | O2 | 0.6° | 0.0° |
| N2 | C7 | H8 | H9 | 119.4° | 120.0° |
| C8 | C7 | N2 | C12 | 116.5° | 90.0° |
| C7 | C8 | S1 | C10 | 172.1° | 180.0° |
| C8 | C7 | H8 | H9 | 119.3° | 120.0° |
| C7 | C8 | C9 | H10 | 8.1° | 0.0° |
| N2 | C12 | C13 | C22 | 1.2° | 0.2° |
| N2 | C12 | C13 | O2 | 178.5° | 180.0° |
| N2 | C12 | C13 | C14 | 177.7° | 180.0° |
| C12 | N2 | C7 | H8 | 123.3° | 30.1° |
| C12 | N2 | C7 | H9 | 3.8° | 150.0° |
| C8 | S1 | C10 | C11 | 178.8° | 179.9° |
| S1 | C8 | C7 | H8 | 135.1° | 149.9° |
| S1 | C8 | C7 | H9 | 15.6° | 30.0° |
| S1 | C8 | C9 | H10 | 179.7° | 179.7° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H4 | 120.0° | 120.0° |
| C2 | C1 | H3 | H4 | 120.0° | 119.9° |
| C1 | C2 | C3 | H5 | 2.1° | 0.0° |
| C22 | C21 | C20 | H23 | 180.0° | 179.8° |
| C21 | C22 | C13 | C12 | 179.5° | 179.8° |
| C21 | C22 | C13 | C14 | 1.6° | 0.5° |
| C22 | C21 | C20 | C15 | 1.8° | 0.2° |
| C22 | C21 | C20 | H22 | 178.3° | 179.8° |
| C13 | C22 | C21 | C20 | 0.3° | 0.4° |
| C22 | C13 | C12 | C14 | 178.9° | 179.7° |
| C22 | C13 | C12 | O2 | 179.7° | 179.8° |
| C22 | C13 | C14 | C15 | 0.8° | 0.3° |
| C22 | C13 | C14 | H14 | 179.2° | 179.8° |
| C13 | C22 | C21 | H23 | 179.7° | 179.8° |
| C21 | C20 | C15 | H22 | 180.0° | 180.0° |
| C21 | C20 | C15 | C14 | 2.7° | 0.0° |
| C21 | C20 | C15 | S2 | 178.0° | 180.0° |
| C17 | C16 | C19 | N4 | 140.7° | 144.9° |
| C17 | C16 | C19 | C18 | 108.8° | 107.5° |
| C17 | C16 | N4 | C18 | 150.8° | 145.7° |
| C17 | C16 | N4 | S2 | 78.6° | 82.5° |
| C17 | C16 | N4 | H1 | 159.5° | 97.9° |
| C16 | C17 | H15 | H16 | 120.0° | 120.1° |
| C16 | C17 | H15 | H17 | 120.0° | 120.0° |
| C16 | C17 | H16 | H17 | 120.0° | 120.0° |
| C17 | C16 | C18 | H18 | 142.3° | 145.0° |
| C17 | C16 | C18 | H19 | 1.5° | 0.0° |
| C17 | C16 | C19 | H20 | 0.8° | 0.0° |
| C17 | C16 | C19 | H21 | 141.6° | 145.0° |
| S1 | C10 | C11 | H11 | 177.8° | 89.7° |
| S1 | C10 | C11 | H12 | 57.8° | 30.3° |
| S1 | C10 | C11 | H13 | 62.2° | 150.3° |
| C10 | C11 | H11 | H12 | 120.0° | 120.1° |
| C10 | C11 | H11 | H13 | 120.0° | 120.0° |
| C10 | C11 | H12 | H13 | 120.0° | 119.9° |
| C12 | C13 | C14 | C15 | 179.7° | 180.0° |
| C12 | C13 | C14 | H14 | 0.4° | 0.1° |
| O2 | C12 | C13 | C14 | 0.8° | 0.0° |
| C13 | C14 | C15 | C20 | 1.4° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | S2 | 176.6° | 180.0° |
| C20 | C15 | C14 | S2 | 175.3° | 180.0° |
| C20 | C15 | S2 | N4 | 52.6° | 90.0° |
| C20 | C15 | S2 | O4 | 57.8° | 23.6° |
| C20 | C15 | S2 | O3 | 174.3° | 156.5° |
| C20 | C15 | C14 | H14 | 178.6° | 180.0° |
| C15 | C20 | C21 | H23 | 178.2° | 180.0° |
| C14 | C15 | S2 | N4 | 132.0° | 90.0° |
| C14 | C15 | S2 | O4 | 117.6° | 156.5° |
| C14 | C15 | S2 | O3 | 10.3° | 23.6° |
| C14 | C15 | C20 | H22 | 177.4° | 180.0° |
| C15 | S2 | N4 | C16 | 85.0° | 64.7° |
| C15 | S2 | N4 | O4 | 113.0° | 113.5° |
| C15 | S2 | N4 | O3 | 118.9° | 113.5° |
| C15 | S2 | O4 | O3 | 122.1° | 122.9° |
| C15 | S2 | N4 | H1 | 153.2° | 115.7° |
| S2 | C15 | C14 | H14 | 3.4° | 0.1° |
| S2 | C15 | C20 | H22 | 2.0° | 0.1° |
| C19 | C16 | N4 | C18 | 66.7° | 68.7° |
| C16 | C19 | C18 | H20 | 109.6° | 107.5° |
| C16 | C19 | C18 | H21 | 109.6° | 107.5° |
| C19 | C16 | N4 | S2 | 138.9° | 63.2° |
| C19 | C16 | N4 | H1 | 17.0° | 116.5° |
| C19 | C16 | C17 | H15 | 180.0° | 66.3° |
| C19 | C16 | C17 | H16 | 60.0° | 173.7° |
| C19 | C16 | C17 | H17 | 60.0° | 53.7° |
| C19 | C16 | C18 | H18 | 109.6° | 107.5° |
| C19 | C16 | C18 | H19 | 109.6° | 107.5° |
| C16 | C19 | H20 | H21 | 144.5° | 145.7° |
| C16 | N4 | S2 | H1 | 121.8° | 179.6° |
| C16 | N4 | S2 | O4 | 162.0° | 48.9° |
| C16 | N4 | S2 | O3 | 33.9° | 178.2° |
| N4 | C16 | C17 | H15 | 39.4° | 148.1° |
| N4 | C16 | C17 | H16 | 80.6° | 28.0° |
| N4 | C16 | C17 | H17 | 159.4° | 91.9° |
| N4 | C16 | C18 | H18 | 7.1° | 0.0° |
| N4 | C16 | C18 | H19 | 147.9° | 145.0° |
| N4 | C16 | C19 | H20 | 139.9° | 145.0° |
| N4 | C16 | C19 | H21 | 0.9° | 0.1° |
| C18 | C16 | N4 | S2 | 72.2° | 131.8° |
| C18 | C16 | N4 | H1 | 49.6° | 47.8° |
| C18 | C16 | C17 | H15 | 111.4° | 2.4° |
| C18 | C16 | C17 | H16 | 128.6° | 117.7° |
| C18 | C16 | C17 | H17 | 8.6° | 122.4° |
| C16 | C18 | H18 | H19 | 144.4° | 145.6° |
| C19 | C18 | H18 | H19 | 144.4° | 145.8° |
| C18 | C19 | H20 | H21 | 144.4° | 145.7° |
| N4 | S2 | O4 | O3 | 124.9° | 123.0° |
| O4 | S2 | N4 | H1 | 40.2° | 130.8° |
| O3 | S2 | N4 | H1 | 88.0° | 2.2° |
| H2 | C1 | H3 | H4 | 120.0° | 120.0° |
| H11 | C11 | H12 | H13 | 120.0° | 120.0° |
| H15 | C17 | H16 | H17 | 120.0° | 120.0° |
| H18 | C18 | C19 | H20 | 140.8° | 145.1° |
| H18 | C18 | C19 | H21 | 0.0° | 0.1° |
| H19 | C18 | C19 | H20 | 0.0° | 0.0° |
| H19 | C18 | C19 | H21 | 140.7° | 145.0° |
| H22 | C20 | C21 | H23 | 1.8° | 0.0° |
| H24 | C23 | H25 | H26 | 120.0° | 120.0° |
