QTN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | S | sing | 1.81Å | 1.76Å | |
| O | S | sing | 1.66Å | 1.45Å | |
| S | N | sing | 1.75Å | 1.52Å | |
| S | C | sing | 1.81Å | 1.76Å | |
| N | C1 | sing | 1.39Å | 1.43Å | |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.49Å | |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| CL | C24 | sing | 1.74Å | 1.74Å | |
| C11 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C13 | sing | 1.48Å | 1.49Å | |
| C24 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.40Å | Aromatic |
| N1 | C14 | doub | 1.32Å | 1.34Å | Aromatic |
| C22 | C14 | sing | 1.41Å | 1.39Å | Aromatic |
| C22 | N3 | sing | 1.36Å | 1.39Å | Aromatic |
| C14 | N2 | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | C15 | sing | 1.36Å | 1.35Å | Aromatic |
| N3 | C15 | doub | 1.31Å | 1.33Å | Aromatic |
| C15 | O1 | sing | 1.35Å | 1.33Å | |
| O1 | C16 | sing | 1.43Å | 1.46Å | |
| O4 | C20 | sing | 1.44Å | 1.44Å | |
| O4 | C21 | sing | 1.44Å | 1.43Å | |
| C16 | C21 | sing | 1.54Å | 1.54Å | |
| C16 | C17 | sing | 1.54Å | 1.52Å | |
| C20 | C19 | sing | 1.54Å | 1.52Å | |
| C21 | C18 | sing | 1.56Å | 1.54Å | |
| C17 | O2 | sing | 1.44Å | 1.44Å | |
| C19 | C18 | sing | 1.54Å | 1.54Å | |
| C19 | O3 | sing | 1.43Å | 1.43Å | |
| C18 | O2 | sing | 1.44Å | 1.43Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| N | H18 | sing | 0.97Å | 1.00Å | |
| C6 | H19 | sing | 1.08Å | 1.08Å | |
| C5 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| N2 | H23 | sing | 0.97Å | 1.00Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| O | H26 | sing | 0.97Å | 0.95Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| O3 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | S | O | 106.8° | 90.0° |
| C25 | S | N | 105.7° | 90.0° |
| C25 | S | C | 105.3° | 120.0° |
| S | C25 | H15 | 109.5° | 109.5° |
| S | C25 | H16 | 109.5° | 109.5° |
| S | C25 | H17 | 109.5° | 109.5° |
| O | S | N | 121.5° | 180.0° |
| O | S | C | 106.7° | 90.0° |
| S | O | H26 | 109.5° | 114.0° |
| N | S | C | 109.7° | 90.0° |
| S | N | C1 | 124.2° | 120.0° |
| S | N | H18 | 105.7° | 120.0° |
| S | C | H12 | 109.5° | 109.5° |
| S | C | H13 | 109.5° | 109.5° |
| S | C | H14 | 109.4° | 109.4° |
| N | C1 | C2 | 121.6° | 120.0° |
| N | C1 | C6 | 121.5° | 119.9° |
| C1 | N | H18 | 105.7° | 120.0° |
| C2 | C1 | C6 | 116.8° | 120.1° |
| C1 | C2 | C3 | 121.5° | 120.1° |
| C1 | C2 | H1 | 119.3° | 119.9° |
| C1 | C6 | C5 | 121.4° | 120.0° |
| C1 | C6 | H19 | 119.3° | 120.0° |
| C2 | C3 | C4 | 121.2° | 119.9° |
| C3 | C2 | H1 | 119.2° | 120.0° |
| C2 | C3 | H2 | 119.4° | 120.0° |
| C6 | C5 | C4 | 121.3° | 120.0° |
| C5 | C6 | H19 | 119.3° | 120.0° |
| C6 | C5 | H20 | 119.3° | 120.0° |
| C3 | C4 | C5 | 117.8° | 119.9° |
| C3 | C4 | C7 | 121.5° | 120.1° |
| C4 | C3 | H2 | 119.4° | 120.0° |
| C5 | C4 | C7 | 120.7° | 120.0° |
| C4 | C5 | H20 | 119.4° | 120.0° |
| C4 | C7 | C8 | 120.6° | 120.0° |
| C4 | C7 | C12 | 121.7° | 120.0° |
| C8 | C7 | C12 | 117.8° | 120.0° |
| C7 | C8 | C9 | 121.2° | 120.0° |
| C7 | C8 | H3 | 119.4° | 120.0° |
| C7 | C12 | C11 | 121.1° | 120.0° |
| C7 | C12 | H6 | 119.5° | 120.0° |
| C8 | C9 | C10 | 121.1° | 120.0° |
| C9 | C8 | H3 | 119.4° | 120.0° |
| C8 | C9 | H4 | 119.4° | 120.0° |
| C12 | C11 | C10 | 121.1° | 120.0° |
| C12 | C11 | H5 | 119.5° | 120.1° |
| C11 | C12 | H6 | 119.5° | 119.9° |
| C9 | C10 | C11 | 117.8° | 120.0° |
| C9 | C10 | C13 | 120.9° | 120.0° |
| C10 | C9 | H4 | 119.5° | 120.0° |
| CL | C24 | C13 | 121.8° | 120.3° |
| CL | C24 | C23 | 117.9° | 120.3° |
| C11 | C10 | C13 | 121.3° | 120.0° |
| C10 | C11 | H5 | 119.5° | 120.0° |
| C10 | C13 | C24 | 123.1° | 119.5° |
| C10 | C13 | N1 | 114.9° | 119.5° |
| C13 | C24 | C23 | 120.2° | 119.5° |
| C24 | C13 | N1 | 122.0° | 121.0° |
| C24 | C23 | C22 | 117.9° | 118.3° |
| C24 | C23 | H27 | 121.1° | 120.8° |
| C13 | N1 | C14 | 116.9° | 121.6° |
| C23 | C22 | C14 | 117.9° | 119.1° |
| C23 | C22 | N3 | 133.2° | 133.6° |
| C22 | C23 | H27 | 121.1° | 120.9° |
| N1 | C14 | C22 | 125.0° | 120.5° |
| N1 | C14 | N2 | 127.5° | 133.6° |
| C14 | C22 | N3 | 108.9° | 107.2° |
| C22 | C14 | N2 | 107.4° | 105.9° |
| C22 | N3 | C15 | 103.5° | 109.5° |
| C14 | N2 | C15 | 105.3° | 107.4° |
| C14 | N2 | H23 | 127.4° | 126.3° |
| N2 | C15 | N3 | 114.8° | 110.0° |
| N2 | C15 | O1 | 128.4° | 125.1° |
| C15 | N2 | H23 | 127.3° | 126.3° |
| N3 | C15 | O1 | 116.8° | 125.0° |
| C15 | O1 | C16 | 117.5° | 117.1° |
| O1 | C16 | C21 | 113.7° | 110.4° |
| O1 | C16 | C17 | 107.9° | 110.4° |
| O1 | C16 | H7 | 111.2° | 110.4° |
| C20 | O4 | C21 | 108.6° | 107.7° |
| O4 | C20 | C19 | 106.2° | 107.3° |
| O4 | C20 | H9 | 110.3° | 109.8° |
| O4 | C20 | H10 | 110.3° | 109.9° |
| O4 | C21 | C16 | 113.7° | 108.8° |
| O4 | C21 | C18 | 107.1° | 103.8° |
| O4 | C21 | H11 | 111.3° | 113.2° |
| C21 | C16 | C17 | 103.3° | 104.6° |
| C16 | C21 | C18 | 105.0° | 102.4° |
| C21 | C16 | H7 | 110.1° | 110.4° |
| C16 | C21 | H11 | 109.7° | 113.3° |
| C16 | C17 | O2 | 104.5° | 107.4° |
| C17 | C16 | H7 | 110.3° | 110.4° |
| C16 | C17 | H21 | 110.7° | 109.8° |
| C16 | C17 | H22 | 110.7° | 109.8° |
| C20 | C19 | C18 | 101.6° | 104.7° |
| C20 | C19 | O3 | 111.0° | 110.4° |
| C20 | C19 | H8 | 108.6° | 110.5° |
| C19 | C20 | H9 | 110.3° | 109.9° |
| C19 | C20 | H10 | 110.3° | 109.9° |
| C21 | C18 | C19 | 104.8° | 102.4° |
| C21 | C18 | O2 | 105.6° | 103.9° |
| C18 | C21 | H11 | 109.8° | 114.3° |
| C21 | C18 | H24 | 110.5° | 113.5° |
| C17 | O2 | C18 | 107.3° | 107.7° |
| O2 | C17 | H21 | 110.7° | 109.9° |
| O2 | C17 | H22 | 110.7° | 109.9° |
| C18 | C19 | O3 | 117.0° | 110.4° |
| C19 | C18 | O2 | 113.2° | 108.8° |
| C18 | C19 | H8 | 108.4° | 110.4° |
| C19 | C18 | H24 | 110.5° | 113.3° |
| O3 | C19 | H8 | 109.7° | 110.3° |
| C19 | O3 | H28 | 109.5° | 114.0° |
| O2 | C18 | H24 | 112.0° | 113.9° |
| H9 | C20 | H10 | 109.4° | 110.0° |
| H12 | C | H13 | 109.5° | 109.5° |
| H12 | C | H14 | 109.5° | 109.4° |
| H13 | C | H14 | 109.5° | 109.5° |
| H15 | C25 | H16 | 109.4° | 109.4° |
| H15 | C25 | H17 | 109.4° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | S | O | N | 121.1° | 154.3° |
| C25 | S | O | C | 112.2° | 120.0° |
| C25 | S | N | C | 113.0° | 120.0° |
| C25 | S | N | C1 | 160.4° | 60.0° |
| C25 | S | C | H12 | 180.0° | 180.0° |
| C25 | S | C | H13 | 60.0° | 59.9° |
| C25 | S | C | H14 | 60.0° | 60.0° |
| S | C25 | H15 | H16 | 120.0° | 120.0° |
| S | C25 | H15 | H17 | 120.0° | 120.0° |
| S | C25 | H16 | H17 | 120.0° | 120.1° |
| C25 | S | N | H18 | 77.6° | 120.0° |
| C25 | S | O | H26 | 180.0° | 60.0° |
| O | S | N | C | 125.3° | 34.3° |
| O | S | N | C1 | 78.0° | 145.7° |
| O | S | C | H12 | 66.8° | 90.0° |
| O | S | C | H13 | 173.2° | 150.0° |
| O | S | C | H14 | 53.3° | 30.0° |
| O | S | C25 | H15 | 180.0° | 90.0° |
| O | S | C25 | H16 | 60.0° | 30.0° |
| O | S | C25 | H17 | 60.0° | 150.0° |
| O | S | N | H18 | 44.0° | 34.3° |
| S | N | C1 | H18 | 122.0° | 180.0° |
| S | N | C1 | C2 | 65.3° | 135.0° |
| S | N | C1 | C6 | 115.0° | 44.7° |
| N | S | C | H12 | 66.7° | 90.0° |
| N | S | C | H13 | 53.3° | 30.0° |
| N | S | C | H14 | 173.3° | 150.0° |
| N | S | C25 | H15 | 49.3° | 90.0° |
| N | S | C25 | H16 | 70.7° | 150.0° |
| N | S | C25 | H17 | 169.3° | 30.0° |
| N | S | O | H26 | 58.9° | 145.7° |
| C | S | N | C1 | 47.4° | 180.0° |
| S | C | H12 | H13 | 120.0° | 120.1° |
| S | C | H12 | H14 | 120.0° | 120.0° |
| S | C | H13 | H14 | 120.0° | 120.0° |
| C | S | C25 | H15 | 66.8° | 180.0° |
| C | S | C25 | H16 | 173.2° | 60.1° |
| C | S | C25 | H17 | 53.2° | 60.0° |
| C | S | N | H18 | 169.4° | 0.0° |
| C | S | O | H26 | 67.8° | 180.0° |
| N | C1 | C2 | C6 | 179.7° | 179.7° |
| N | C1 | C2 | C3 | 179.7° | 179.7° |
| N | C1 | C6 | C5 | 179.8° | 179.8° |
| N | C1 | C2 | H1 | 0.3° | 0.2° |
| N | C1 | C6 | H19 | 0.2° | 0.3° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C1 | C2 | C3 | H2 | 179.4° | 180.0° |
| C2 | C1 | N | H18 | 56.7° | 45.0° |
| C2 | C1 | C6 | H19 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 0.0° | 0.1° |
| C1 | C6 | C5 | H19 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.4° | 0.1° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C6 | C1 | N | H18 | 123.0° | 135.2° |
| C1 | C6 | C5 | H20 | 179.6° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.0° | 0.0° |
| C2 | C3 | C4 | C7 | 179.3° | 180.0° |
| C6 | C5 | C4 | C3 | 0.9° | 0.1° |
| C6 | C5 | C4 | H20 | 180.0° | 179.9° |
| C6 | C5 | C4 | C7 | 179.2° | 180.0° |
| C3 | C4 | C5 | C7 | 178.3° | 179.9° |
| C3 | C4 | C7 | C8 | 42.4° | 180.0° |
| C3 | C4 | C7 | C12 | 139.4° | 0.3° |
| C4 | C3 | C2 | H1 | 179.4° | 180.0° |
| C3 | C4 | C5 | H20 | 179.1° | 180.0° |
| C5 | C4 | C7 | C8 | 135.9° | 0.1° |
| C5 | C4 | C7 | C12 | 42.3° | 179.8° |
| C5 | C4 | C3 | H2 | 179.0° | 179.9° |
| C4 | C5 | C6 | H19 | 179.6° | 180.0° |
| C4 | C7 | C8 | C12 | 178.3° | 179.7° |
| C4 | C7 | C8 | C9 | 179.1° | 179.7° |
| C4 | C7 | C12 | C11 | 179.0° | 179.7° |
| C7 | C4 | C3 | H2 | 0.7° | 0.0° |
| C4 | C7 | C8 | H3 | 0.9° | 0.3° |
| C4 | C7 | C12 | H6 | 1.0° | 0.3° |
| C7 | C4 | C5 | H20 | 0.8° | 0.1° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C8 | C7 | C12 | C11 | 0.8° | 0.0° |
| C7 | C8 | C9 | C10 | 0.4° | 0.0° |
| C7 | C8 | C9 | H4 | 179.6° | 180.0° |
| C8 | C7 | C12 | H6 | 179.3° | 180.0° |
| C12 | C7 | C8 | C9 | 0.8° | 0.0° |
| C7 | C12 | C11 | H6 | 180.0° | 180.0° |
| C7 | C12 | C11 | C10 | 0.3° | 0.1° |
| C12 | C7 | C8 | H3 | 179.2° | 180.0° |
| C7 | C12 | C11 | H5 | 179.7° | 180.0° |
| C8 | C9 | C10 | H4 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C8 | C9 | C10 | C13 | 179.9° | 179.9° |
| C12 | C11 | C10 | C9 | 0.2° | 0.1° |
| C12 | C11 | C10 | H5 | 180.0° | 179.9° |
| C12 | C11 | C10 | C13 | 179.9° | 180.0° |
| C9 | C10 | C11 | C13 | 179.7° | 179.9° |
| C9 | C10 | C13 | C24 | 36.2° | 145.3° |
| C9 | C10 | C13 | N1 | 144.2° | 35.0° |
| C10 | C9 | C8 | H3 | 179.6° | 180.0° |
| C9 | C10 | C11 | H5 | 179.8° | 180.0° |
| CL | C24 | C13 | C10 | 0.3° | 0.0° |
| CL | C24 | C13 | C23 | 179.7° | 180.0° |
| CL | C24 | C13 | N1 | 179.9° | 179.7° |
| CL | C24 | C23 | C22 | 179.8° | 179.9° |
| CL | C24 | C23 | H27 | 0.2° | 0.1° |
| C11 | C10 | C13 | C24 | 143.5° | 34.8° |
| C11 | C10 | C13 | N1 | 36.1° | 144.9° |
| C11 | C10 | C9 | H4 | 179.9° | 179.9° |
| C10 | C11 | C12 | H6 | 179.7° | 180.0° |
| C10 | C13 | C24 | N1 | 179.6° | 179.7° |
| C10 | C13 | C24 | C23 | 180.0° | 180.0° |
| C10 | C13 | N1 | C14 | 179.9° | 180.0° |
| C13 | C10 | C9 | H4 | 0.1° | 0.0° |
| C13 | C10 | C11 | H5 | 0.1° | 0.1° |
| C13 | C24 | C23 | C22 | 0.2° | 0.0° |
| C24 | C13 | N1 | C14 | 0.3° | 0.3° |
| C13 | C24 | C23 | H27 | 179.8° | 179.9° |
| C23 | C24 | C13 | N1 | 0.4° | 0.3° |
| C24 | C23 | C22 | H27 | 180.0° | 179.9° |
| C24 | C23 | C22 | C14 | 0.2° | 0.2° |
| C24 | C23 | C22 | N3 | 179.9° | 179.8° |
| C13 | N1 | C14 | C22 | 0.1° | 0.0° |
| C13 | N1 | C14 | N2 | 179.7° | 179.6° |
| C23 | C22 | C14 | N1 | 0.3° | 0.2° |
| C23 | C22 | C14 | N3 | 179.8° | 180.0° |
| C23 | C22 | C14 | N2 | 179.5° | 180.0° |
| C23 | C22 | N3 | C15 | 179.5° | 180.0° |
| N1 | C14 | C22 | N2 | 179.8° | 179.7° |
| N1 | C14 | C22 | N3 | 179.9° | 179.7° |
| N1 | C14 | N2 | C15 | 180.0° | 179.7° |
| N1 | C14 | N2 | H23 | 0.1° | 0.4° |
| C22 | C14 | N2 | C15 | 0.2° | 0.0° |
| C14 | C22 | N3 | C15 | 0.3° | 0.0° |
| C22 | C14 | N2 | H23 | 179.9° | 180.0° |
| C14 | C22 | C23 | H27 | 179.8° | 179.7° |
| N3 | C22 | C14 | N2 | 0.3° | 0.0° |
| C22 | N3 | C15 | N2 | 0.2° | 0.0° |
| C22 | N3 | C15 | O1 | 179.9° | 180.0° |
| N3 | C22 | C23 | H27 | 0.1° | 0.3° |
| C14 | N2 | C15 | H23 | 180.0° | 179.9° |
| C14 | N2 | C15 | N3 | 0.0° | 0.0° |
| C14 | N2 | C15 | O1 | 179.7° | 180.0° |
| N2 | C15 | N3 | O1 | 179.7° | 180.0° |
| N2 | C15 | O1 | C16 | 0.8° | 180.0° |
| N3 | C15 | O1 | C16 | 179.6° | 0.0° |
| N3 | C15 | N2 | H23 | 179.9° | 180.0° |
| C15 | O1 | C16 | C21 | 76.3° | 150.0° |
| C15 | O1 | C16 | C17 | 169.7° | 94.8° |
| C15 | O1 | C16 | H7 | 48.6° | 27.5° |
| O1 | C15 | N2 | H23 | 0.3° | 0.1° |
| O1 | C16 | C21 | O4 | 11.4° | 28.0° |
| O1 | C16 | C21 | C17 | 116.7° | 118.8° |
| O1 | C16 | C21 | H7 | 125.5° | 122.5° |
| O1 | C16 | C17 | H7 | 121.7° | 122.4° |
| O1 | C16 | C21 | C18 | 105.4° | 137.5° |
| O1 | C16 | C17 | O2 | 90.3° | 115.9° |
| O1 | C16 | C21 | H11 | 136.7° | 98.9° |
| O1 | C16 | C17 | H21 | 28.9° | 3.6° |
| O1 | C16 | C17 | H22 | 150.4° | 124.6° |
| C20 | O4 | C21 | C16 | 103.6° | 146.5° |
| O4 | C20 | C19 | H9 | 119.5° | 119.4° |
| O4 | C20 | C19 | H10 | 119.5° | 119.5° |
| C20 | O4 | C21 | C18 | 12.0° | 38.0° |
| O4 | C20 | C19 | C18 | 34.5° | 2.9° |
| O4 | C20 | C19 | O3 | 159.6° | 115.9° |
| O4 | C20 | C19 | H8 | 79.7° | 121.8° |
| O4 | C20 | H9 | H10 | 121.5° | 121.1° |
| C20 | O4 | C21 | H11 | 132.0° | 86.5° |
| O4 | C21 | C16 | C18 | 116.7° | 109.5° |
| O4 | C21 | C16 | H11 | 125.3° | 126.9° |
| O4 | C21 | C16 | C17 | 128.1° | 90.7° |
| C21 | O4 | C20 | C19 | 29.8° | 25.9° |
| O4 | C21 | C18 | H11 | 121.0° | 123.8° |
| O4 | C21 | C18 | C19 | 10.0° | 34.4° |
| O4 | C21 | C18 | O2 | 109.7° | 78.8° |
| O4 | C21 | C16 | H7 | 114.1° | 150.5° |
| C21 | O4 | C20 | H9 | 149.3° | 93.5° |
| C21 | O4 | C20 | H10 | 89.7° | 145.4° |
| O4 | C21 | C18 | H24 | 129.0° | 156.9° |
| C21 | C16 | C17 | H7 | 117.6° | 118.8° |
| C16 | C21 | C18 | H11 | 117.8° | 123.0° |
| C21 | C16 | C17 | O2 | 30.4° | 2.9° |
| C16 | C21 | C18 | C19 | 131.2° | 147.6° |
| C16 | C21 | C18 | O2 | 11.5° | 34.4° |
| C21 | C16 | C17 | H21 | 149.6° | 122.4° |
| C21 | C16 | C17 | H22 | 88.8° | 116.5° |
| C16 | C21 | C18 | H24 | 109.8° | 89.9° |
| C17 | C16 | C21 | C18 | 11.4° | 18.7° |
| C16 | C17 | O2 | H21 | 119.2° | 119.4° |
| C16 | C17 | O2 | H22 | 119.2° | 119.4° |
| C16 | C17 | O2 | C18 | 39.6° | 25.9° |
| C17 | C16 | C21 | H11 | 106.6° | 142.3° |
| C16 | C17 | H21 | H22 | 122.3° | 121.0° |
| C20 | C19 | C18 | C21 | 26.4° | 18.8° |
| C20 | C19 | C18 | O3 | 121.0° | 118.8° |
| C20 | C19 | C18 | H8 | 114.3° | 118.9° |
| C20 | C19 | O3 | H8 | 120.1° | 122.4° |
| C20 | C19 | C18 | O2 | 88.1° | 90.7° |
| C19 | C20 | H9 | H10 | 121.5° | 121.1° |
| C20 | C19 | C18 | H24 | 145.4° | 141.4° |
| C20 | C19 | O3 | H28 | 180.0° | 64.8° |
| C21 | C18 | O2 | C17 | 31.9° | 38.0° |
| C21 | C18 | C19 | O2 | 114.5° | 109.5° |
| C21 | C18 | C19 | H24 | 119.0° | 122.6° |
| C21 | C18 | C19 | O3 | 147.4° | 137.6° |
| C21 | C18 | O2 | H24 | 120.3° | 124.0° |
| C18 | C21 | C16 | H7 | 129.2° | 100.0° |
| C21 | C18 | C19 | H8 | 87.9° | 100.1° |
| C17 | O2 | C18 | C19 | 145.9° | 146.5° |
| O2 | C17 | C16 | H7 | 148.0° | 121.7° |
| O2 | C17 | H21 | H22 | 122.3° | 121.1° |
| C17 | O2 | C18 | H24 | 88.4° | 86.0° |
| C18 | C19 | O3 | H8 | 124.0° | 122.4° |
| C19 | C18 | O2 | H24 | 125.7° | 127.5° |
| C18 | C19 | C20 | H9 | 154.0° | 116.5° |
| C18 | C19 | C20 | H10 | 85.0° | 122.3° |
| C19 | C18 | C21 | H11 | 111.0° | 89.4° |
| C18 | C19 | O3 | H28 | 64.1° | 180.0° |
| O3 | C19 | C18 | O2 | 32.9° | 28.0° |
| O3 | C19 | C20 | H9 | 80.9° | 124.7° |
| O3 | C19 | C20 | H10 | 40.1° | 3.6° |
| O3 | C19 | C18 | H24 | 93.5° | 99.8° |
| O2 | C18 | C19 | H8 | 157.6° | 150.3° |
| O2 | C18 | C21 | H11 | 129.3° | 157.3° |
| C18 | O2 | C17 | H21 | 158.8° | 145.4° |
| C18 | O2 | C17 | H22 | 79.6° | 93.5° |
| H1 | C2 | C3 | H2 | 0.6° | 0.0° |
| H3 | C8 | C9 | H4 | 0.4° | 0.0° |
| H5 | C11 | C12 | H6 | 0.2° | 0.1° |
| H7 | C16 | C21 | H11 | 11.2° | 23.6° |
| H7 | C16 | C17 | H21 | 92.8° | 118.8° |
| H7 | C16 | C17 | H22 | 28.8° | 2.3° |
| H8 | C19 | C20 | H9 | 39.8° | 2.4° |
| H8 | C19 | C20 | H10 | 160.8° | 118.8° |
| H8 | C19 | C18 | H24 | 31.1° | 22.5° |
| H8 | C19 | O3 | H28 | 59.9° | 57.6° |
| H11 | C21 | C18 | H24 | 8.0° | 33.0° |
| H12 | C | H13 | H14 | 120.0° | 120.0° |
| H15 | C25 | H16 | H17 | 119.9° | 119.9° |
| H19 | C6 | C5 | H20 | 0.4° | 0.1° |
