A1AMW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.56Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| N | C3 | sing | 1.46Å | 1.46Å | |
| C4 | N | sing | 1.38Å | 1.34Å | |
| C4 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C5 | sing | 1.32Å | 1.33Å | Aromatic |
| C5 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| N2 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| N3 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.42Å | 1.42Å | |
| C9 | C10 | doub | 1.35Å | 1.35Å | |
| C10 | N4 | sing | 1.36Å | 1.36Å | |
| C11 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C12 | sing | 1.35Å | 1.40Å | |
| O | C12 | doub | 1.22Å | 1.23Å | |
| C12 | C13 | sing | 1.40Å | 1.45Å | |
| C13 | C8 | doub | 1.39Å | 1.37Å | |
| C7 | C14 | doub | 1.36Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.43Å | Aromatic |
| C15 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
| C6 | C15 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | S | sing | 1.77Å | 1.73Å | |
| O1 | S | doub | 1.42Å | 1.44Å | |
| S | O2 | doub | 1.42Å | 1.44Å | |
| C22 | S | sing | 1.82Å | 1.76Å | |
| C23 | C22 | sing | 1.54Å | 1.52Å | |
| C24 | C23 | sing | 1.52Å | 1.52Å | |
| C19 | C24 | sing | 1.50Å | 1.51Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C3 | H | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 110.7° | 109.4° |
| C | C1 | C3 | 111.0° | 109.5° |
| C | C1 | H5 | 107.5° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.4° |
| C1 | C | H2 | 109.5° | 109.5° |
| C2 | C1 | C3 | 111.9° | 109.5° |
| C2 | C1 | H5 | 108.0° | 109.5° |
| C1 | C2 | H7 | 109.5° | 109.5° |
| C1 | C2 | H6 | 109.5° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.5° |
| C1 | C3 | N | 108.7° | 109.5° |
| C1 | C3 | C16 | 112.6° | 109.5° |
| C1 | C3 | H | 107.2° | 109.5° |
| C3 | C1 | H5 | 107.7° | 109.5° |
| C3 | N | C4 | 125.2° | 120.0° |
| N | C3 | C16 | 112.5° | 109.5° |
| N | C3 | H | 108.2° | 109.5° |
| C3 | N | H9 | 105.4° | 120.0° |
| N | C4 | N1 | 118.3° | 120.8° |
| N | C4 | C15 | 121.8° | 120.8° |
| C4 | N | H9 | 105.4° | 120.0° |
| C4 | N1 | C5 | 117.6° | 121.2° |
| N1 | C4 | C15 | 119.6° | 118.4° |
| N1 | C5 | N2 | 129.2° | 122.6° |
| N1 | C5 | H10 | 115.4° | 118.7° |
| C5 | N2 | C6 | 112.2° | 120.8° |
| N2 | C5 | H10 | 115.4° | 118.6° |
| N2 | C6 | N3 | 126.1° | 134.0° |
| N2 | C6 | C15 | 125.6° | 118.7° |
| C6 | N3 | C7 | 108.3° | 108.9° |
| N3 | C6 | C15 | 108.3° | 107.3° |
| C6 | N3 | H1 | 125.9° | 125.6° |
| N3 | C7 | C8 | 123.4° | 125.4° |
| N3 | C7 | C14 | 109.1° | 109.1° |
| C7 | N3 | H1 | 125.8° | 125.5° |
| C7 | C8 | C9 | 116.7° | 120.5° |
| C7 | C8 | C13 | 124.0° | 120.6° |
| C8 | C7 | C14 | 127.4° | 125.4° |
| C8 | C9 | C10 | 119.5° | 119.7° |
| C9 | C8 | C13 | 119.2° | 118.8° |
| C8 | C9 | H11 | 120.3° | 120.2° |
| C9 | C10 | N4 | 121.8° | 121.0° |
| C9 | C10 | H12 | 119.1° | 119.4° |
| C10 | C9 | H11 | 120.2° | 120.2° |
| C10 | N4 | C11 | 119.6° | 119.4° |
| C10 | N4 | C12 | 122.3° | 121.3° |
| N4 | C10 | H12 | 119.1° | 119.6° |
| C11 | N4 | C12 | 117.9° | 119.4° |
| N4 | C11 | H14 | 109.5° | 109.5° |
| N4 | C11 | H13 | 109.5° | 109.4° |
| N4 | C11 | H15 | 109.5° | 109.4° |
| N4 | C12 | O | 119.3° | 119.9° |
| N4 | C12 | C13 | 115.6° | 120.2° |
| O | C12 | C13 | 125.0° | 119.9° |
| C12 | C13 | C8 | 121.4° | 119.0° |
| C12 | C13 | H16 | 119.3° | 120.5° |
| C8 | C13 | H16 | 119.3° | 120.5° |
| C7 | C14 | C15 | 107.1° | 107.5° |
| C7 | C14 | H17 | 126.5° | 126.2° |
| C14 | C15 | C4 | 137.2° | 134.5° |
| C14 | C15 | C6 | 107.1° | 107.1° |
| C15 | C14 | H17 | 126.5° | 126.2° |
| C4 | C15 | C6 | 115.7° | 118.3° |
| C3 | C16 | C17 | 121.3° | 120.3° |
| C3 | C16 | C21 | 120.8° | 120.3° |
| C16 | C3 | H | 107.5° | 109.5° |
| C16 | C17 | C18 | 121.1° | 119.9° |
| C17 | C16 | C21 | 117.9° | 119.4° |
| C16 | C17 | H18 | 119.5° | 120.0° |
| C17 | C18 | C19 | 122.0° | 121.0° |
| C18 | C17 | H18 | 119.4° | 120.1° |
| C17 | C18 | H19 | 119.0° | 119.5° |
| C18 | C19 | C20 | 116.8° | 118.8° |
| C18 | C19 | C24 | 118.7° | 116.5° |
| C19 | C18 | H19 | 119.0° | 119.5° |
| C19 | C20 | C21 | 121.6° | 120.2° |
| C19 | C20 | S | 121.0° | 121.9° |
| C20 | C19 | C24 | 124.5° | 124.7° |
| C20 | C21 | C16 | 120.6° | 120.7° |
| C21 | C20 | S | 117.3° | 117.9° |
| C20 | C21 | H20 | 119.7° | 119.7° |
| C16 | C21 | H20 | 119.7° | 119.7° |
| C20 | S | O1 | 106.0° | 104.4° |
| C20 | S | O2 | 108.9° | 104.4° |
| C20 | S | C22 | 105.2° | 103.7° |
| O1 | S | O2 | 117.4° | 121.2° |
| O1 | S | C22 | 110.6° | 110.6° |
| O2 | S | C22 | 107.9° | 110.7° |
| S | C22 | C23 | 110.1° | 107.0° |
| S | C22 | H21 | 109.3° | 110.0° |
| S | C22 | H22 | 109.3° | 110.0° |
| C22 | C23 | C24 | 110.0° | 109.1° |
| C23 | C22 | H21 | 109.3° | 109.9° |
| C23 | C22 | H22 | 109.3° | 110.0° |
| C22 | C23 | H24 | 109.3° | 109.5° |
| C22 | C23 | H23 | 109.3° | 109.5° |
| C23 | C24 | C19 | 113.2° | 113.9° |
| C23 | C24 | H25 | 108.5° | 108.6° |
| C23 | C24 | H26 | 108.6° | 108.6° |
| C24 | C23 | H24 | 109.3° | 109.6° |
| C24 | C23 | H23 | 109.3° | 109.6° |
| C19 | C24 | H25 | 108.5° | 108.6° |
| C19 | C24 | H26 | 108.5° | 108.7° |
| H21 | C22 | H22 | 109.5° | 109.9° |
| H25 | C24 | H26 | 109.5° | 108.4° |
| H24 | C23 | H23 | 109.5° | 109.6° |
| H7 | C2 | H6 | 109.5° | 109.5° |
| H7 | C2 | H8 | 109.4° | 109.4° |
| H6 | C2 | H8 | 109.5° | 109.5° |
| H4 | C | H3 | 109.5° | 109.5° |
| H4 | C | H2 | 109.5° | 109.5° |
| H3 | C | H2 | 109.5° | 109.4° |
| H14 | C11 | H13 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.4° | 109.5° |
| H13 | C11 | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C3 | 124.3° | 120.0° |
| C | C1 | C2 | H5 | 117.4° | 120.0° |
| C | C1 | C3 | H5 | 117.4° | 120.0° |
| C | C1 | C3 | N | 54.6° | 175.0° |
| C | C1 | C3 | C16 | 179.9° | 65.0° |
| C | C1 | C3 | H | 62.1° | 55.0° |
| C | C1 | C2 | H7 | 180.0° | 60.0° |
| C | C1 | C2 | H6 | 60.0° | 60.0° |
| C | C1 | C2 | H8 | 60.0° | 180.0° |
| C1 | C | H4 | H3 | 120.0° | 120.0° |
| C1 | C | H4 | H2 | 120.0° | 120.0° |
| C1 | C | H3 | H2 | 120.0° | 120.0° |
| C2 | C1 | C3 | H5 | 118.5° | 120.0° |
| C2 | C1 | C3 | N | 178.8° | 65.0° |
| C2 | C1 | C3 | C16 | 55.9° | 55.0° |
| C2 | C1 | C3 | H | 62.1° | 175.0° |
| C1 | C2 | H7 | H6 | 120.0° | 120.0° |
| C1 | C2 | H7 | H8 | 120.0° | 120.0° |
| C1 | C2 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | C | H4 | 180.0° | 60.0° |
| C2 | C1 | C | H3 | 60.0° | 180.0° |
| C2 | C1 | C | H2 | 60.0° | 60.0° |
| C1 | C3 | N | C16 | 125.4° | 120.0° |
| C1 | C3 | N | H | 116.1° | 120.0° |
| C1 | C3 | N | C4 | 148.7° | 85.0° |
| C1 | C3 | C16 | H | 117.8° | 120.0° |
| C1 | C3 | C16 | C17 | 110.2° | 80.0° |
| C1 | C3 | C16 | C21 | 70.9° | 100.0° |
| C3 | C1 | C2 | H7 | 55.7° | 60.0° |
| C3 | C1 | C2 | H6 | 64.3° | 180.0° |
| C3 | C1 | C2 | H8 | 175.7° | 60.0° |
| C3 | C1 | C | H4 | 55.2° | 60.0° |
| C3 | C1 | C | H3 | 175.2° | 60.0° |
| C3 | C1 | C | H2 | 64.8° | 180.0° |
| C1 | C3 | N | H9 | 89.2° | 95.0° |
| C3 | N | C4 | H9 | 122.1° | 180.0° |
| C3 | N | C4 | N1 | 23.7° | 0.1° |
| C3 | N | C4 | C15 | 162.2° | 180.0° |
| N | C3 | C16 | H | 119.0° | 120.0° |
| N | C3 | C16 | C17 | 126.6° | 40.0° |
| N | C3 | C16 | C21 | 52.3° | 140.0° |
| N | C3 | C1 | H5 | 62.7° | 55.0° |
| N | C4 | N1 | C15 | 174.3° | 179.9° |
| N | C4 | N1 | C5 | 172.3° | 180.0° |
| N | C4 | C15 | C14 | 7.3° | 0.0° |
| N | C4 | C15 | C6 | 171.4° | 179.9° |
| C4 | N | C3 | C16 | 85.9° | 155.0° |
| C4 | N | C3 | H | 32.6° | 35.0° |
| C4 | N1 | C5 | N2 | 1.2° | 0.0° |
| N1 | C4 | C15 | C14 | 178.6° | 179.9° |
| N1 | C4 | C15 | C6 | 2.7° | 0.0° |
| C4 | N1 | C5 | H10 | 178.8° | 180.0° |
| N1 | C4 | N | H9 | 145.8° | 179.9° |
| N1 | C5 | N2 | H10 | 180.0° | 180.0° |
| N1 | C5 | N2 | C6 | 3.2° | 0.1° |
| C5 | N1 | C4 | C15 | 2.0° | 0.1° |
| C5 | N2 | C6 | N3 | 179.3° | 179.9° |
| C5 | N2 | C6 | C15 | 2.1° | 0.1° |
| N2 | C6 | N3 | C15 | 178.8° | 179.8° |
| N2 | C6 | N3 | C7 | 178.4° | 180.0° |
| N2 | C6 | C15 | C14 | 179.7° | 180.0° |
| N2 | C6 | C15 | C4 | 0.6° | 0.1° |
| N2 | C6 | N3 | H1 | 1.5° | 0.2° |
| C6 | N2 | C5 | H10 | 176.8° | 179.9° |
| C6 | N3 | C7 | H1 | 180.0° | 179.8° |
| C6 | N3 | C7 | C8 | 176.0° | 179.9° |
| C6 | N3 | C7 | C14 | 1.5° | 0.1° |
| N3 | C6 | C15 | C14 | 0.9° | 0.1° |
| N3 | C6 | C15 | C4 | 178.2° | 179.9° |
| N3 | C7 | C8 | C14 | 177.0° | 180.0° |
| N3 | C7 | C8 | C9 | 172.6° | 65.0° |
| N3 | C7 | C8 | C13 | 3.9° | 115.2° |
| N3 | C7 | C14 | C15 | 2.0° | 0.1° |
| C7 | N3 | C6 | C15 | 0.3° | 0.2° |
| N3 | C7 | C14 | H17 | 178.1° | 179.9° |
| C7 | C8 | C9 | C13 | 176.7° | 179.7° |
| C7 | C8 | C9 | C10 | 179.5° | 179.7° |
| C7 | C8 | C13 | C12 | 179.6° | 180.0° |
| C8 | C7 | C14 | C15 | 175.4° | 180.0° |
| C8 | C7 | N3 | H1 | 4.0° | 0.1° |
| C7 | C8 | C13 | H16 | 0.4° | 0.1° |
| C8 | C7 | C14 | H17 | 4.6° | 0.1° |
| C7 | C8 | C9 | H11 | 0.5° | 0.0° |
| C8 | C9 | C10 | H11 | 180.0° | 179.8° |
| C8 | C9 | C10 | N4 | 0.6° | 0.6° |
| C9 | C8 | C13 | C12 | 3.9° | 0.2° |
| C9 | C8 | C7 | C14 | 10.4° | 114.9° |
| C8 | C9 | C10 | H12 | 179.4° | 179.7° |
| C9 | C8 | C13 | H16 | 176.1° | 179.8° |
| C9 | C10 | N4 | H12 | 180.0° | 179.7° |
| C9 | C10 | N4 | C11 | 172.0° | 180.0° |
| C9 | C10 | N4 | C12 | 2.4° | 0.3° |
| C10 | C9 | C8 | C13 | 3.7° | 0.5° |
| C10 | N4 | C11 | C12 | 174.6° | 179.7° |
| C10 | N4 | C12 | O | 175.4° | 180.0° |
| C10 | N4 | C12 | C13 | 2.2° | 0.0° |
| C10 | N4 | C11 | H14 | 180.0° | 90.0° |
| C10 | N4 | C11 | H13 | 60.0° | 150.0° |
| C10 | N4 | C11 | H15 | 60.0° | 30.0° |
| N4 | C10 | C9 | H11 | 179.3° | 179.7° |
| C11 | N4 | C12 | O | 10.1° | 0.3° |
| C11 | N4 | C12 | C13 | 172.3° | 179.7° |
| C11 | N4 | C10 | H12 | 8.0° | 0.3° |
| N4 | C11 | H14 | H13 | 120.0° | 120.0° |
| N4 | C11 | H14 | H15 | 120.0° | 120.0° |
| N4 | C11 | H13 | H15 | 120.0° | 119.9° |
| N4 | C12 | O | C13 | 177.4° | 180.0° |
| N4 | C12 | C13 | C8 | 1.0° | 0.0° |
| C12 | N4 | C10 | H12 | 177.6° | 180.0° |
| N4 | C12 | C13 | H16 | 179.0° | 180.0° |
| C12 | N4 | C11 | H14 | 5.3° | 89.7° |
| C12 | N4 | C11 | H13 | 125.4° | 30.3° |
| C12 | N4 | C11 | H15 | 114.6° | 150.3° |
| O | C12 | C13 | C8 | 178.5° | 180.0° |
| O | C12 | C13 | H16 | 1.5° | 0.0° |
| C12 | C13 | C8 | H16 | 180.0° | 180.0° |
| C13 | C8 | C7 | C14 | 173.0° | 64.8° |
| C13 | C8 | C9 | H11 | 176.3° | 179.7° |
| C7 | C14 | C15 | H17 | 180.0° | 180.0° |
| C7 | C14 | C15 | C4 | 177.1° | 180.0° |
| C7 | C14 | C15 | C6 | 1.7° | 0.0° |
| C14 | C7 | N3 | H1 | 178.6° | 179.9° |
| C14 | C15 | C4 | C6 | 178.7° | 179.9° |
| C15 | C4 | N | H9 | 40.1° | 0.1° |
| C4 | C15 | C14 | H17 | 2.9° | 0.0° |
| C15 | C6 | N3 | H1 | 179.7° | 179.9° |
| C6 | C15 | C14 | H17 | 178.3° | 180.0° |
| C3 | C16 | C17 | C21 | 178.9° | 180.0° |
| C3 | C16 | C17 | C18 | 177.4° | 179.7° |
| C3 | C16 | C21 | C20 | 177.1° | 179.9° |
| C3 | C16 | C17 | H18 | 2.6° | 0.5° |
| C3 | C16 | C21 | H20 | 2.9° | 0.4° |
| C16 | C3 | C1 | H5 | 62.6° | 175.0° |
| C16 | C3 | N | H9 | 36.2° | 25.0° |
| C16 | C17 | C18 | H18 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 1.4° | 0.3° |
| C17 | C16 | C21 | C20 | 1.9° | 0.1° |
| C17 | C16 | C21 | H20 | 178.1° | 179.6° |
| C16 | C17 | C18 | H19 | 178.6° | 179.7° |
| C17 | C16 | C3 | H | 7.6° | 160.0° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 1.5° | 1.0° |
| C18 | C17 | C16 | C21 | 1.5° | 0.3° |
| C17 | C18 | C19 | C24 | 176.4° | 179.0° |
| C18 | C19 | C20 | C24 | 177.7° | 179.9° |
| C18 | C19 | C20 | C21 | 1.8° | 1.2° |
| C18 | C19 | C20 | S | 175.7° | 178.8° |
| C18 | C19 | C24 | C23 | 155.1° | 156.2° |
| C19 | C18 | C17 | H18 | 178.6° | 180.0° |
| C18 | C19 | C24 | H25 | 84.3° | 35.1° |
| C18 | C19 | C24 | H26 | 34.6° | 82.6° |
| C19 | C20 | C21 | S | 177.6° | 180.0° |
| C19 | C20 | C21 | C16 | 2.1° | 0.7° |
| C19 | C20 | S | O1 | 103.1° | 127.9° |
| C19 | C20 | S | O2 | 129.7° | 104.0° |
| C19 | C20 | S | C22 | 14.2° | 12.0° |
| C20 | C19 | C24 | C23 | 27.2° | 23.7° |
| C19 | C20 | C21 | H20 | 177.9° | 179.6° |
| C20 | C19 | C24 | H25 | 93.4° | 144.8° |
| C20 | C19 | C24 | H26 | 147.7° | 97.5° |
| C20 | C19 | C18 | H19 | 178.5° | 178.9° |
| C20 | C21 | C16 | H20 | 180.0° | 179.7° |
| C21 | C20 | S | O1 | 74.6° | 52.1° |
| C21 | C20 | S | O2 | 52.7° | 76.0° |
| C21 | C20 | S | C22 | 168.2° | 168.0° |
| C21 | C20 | C19 | C24 | 175.9° | 178.9° |
| C16 | C21 | C20 | S | 175.5° | 179.3° |
| C21 | C16 | C17 | H18 | 178.5° | 179.5° |
| C21 | C16 | C3 | H | 171.3° | 20.0° |
| C20 | S | O1 | O2 | 121.9° | 117.1° |
| C20 | S | O1 | C22 | 113.6° | 110.9° |
| C20 | S | O2 | C22 | 113.7° | 110.9° |
| C20 | S | C22 | C23 | 43.7° | 44.9° |
| S | C20 | C19 | C24 | 6.6° | 1.2° |
| S | C20 | C21 | H20 | 4.5° | 0.4° |
| C20 | S | C22 | H21 | 76.4° | 164.3° |
| C20 | S | C22 | H22 | 163.8° | 74.5° |
| O1 | S | O2 | C22 | 125.8° | 132.0° |
| O1 | S | C22 | C23 | 70.4° | 156.3° |
| O1 | S | C22 | H21 | 169.5° | 84.3° |
| O1 | S | C22 | H22 | 49.7° | 36.9° |
| O2 | S | C22 | C23 | 159.8° | 66.5° |
| O2 | S | C22 | H21 | 39.8° | 52.9° |
| O2 | S | C22 | H22 | 80.1° | 174.1° |
| S | C22 | C23 | H21 | 120.1° | 119.4° |
| S | C22 | C23 | H22 | 120.1° | 119.4° |
| S | C22 | C23 | C24 | 68.3° | 71.5° |
| S | C22 | H21 | H22 | 119.7° | 121.3° |
| S | C22 | C23 | H24 | 171.6° | 48.3° |
| S | C22 | C23 | H23 | 51.8° | 168.6° |
| C22 | C23 | C24 | H24 | 120.1° | 119.8° |
| C22 | C23 | C24 | H23 | 120.1° | 119.9° |
| C22 | C23 | C24 | C19 | 58.9° | 61.2° |
| C23 | C22 | H21 | H22 | 119.7° | 121.2° |
| C22 | C23 | C24 | H25 | 61.7° | 177.6° |
| C22 | C23 | C24 | H26 | 179.4° | 60.0° |
| C22 | C23 | H24 | H23 | 119.8° | 120.1° |
| C23 | C24 | C19 | H25 | 120.5° | 121.1° |
| C23 | C24 | C19 | H26 | 120.6° | 121.2° |
| C24 | C23 | C22 | H21 | 51.7° | 169.1° |
| C24 | C23 | C22 | H22 | 171.5° | 47.9° |
| C23 | C24 | H25 | H26 | 118.3° | 117.8° |
| C24 | C23 | H24 | H23 | 119.7° | 120.3° |
| C19 | C24 | H25 | H26 | 118.3° | 117.9° |
| C19 | C24 | C23 | H24 | 178.9° | 58.6° |
| C19 | C24 | C23 | H23 | 61.3° | 178.9° |
| C24 | C19 | C18 | H19 | 3.6° | 1.0° |
| H12 | C10 | C9 | H11 | 0.7° | 0.0° |
| H18 | C17 | C18 | H19 | 1.4° | 0.0° |
| H21 | C22 | C23 | H24 | 68.3° | 71.0° |
| H21 | C22 | C23 | H23 | 171.8° | 49.2° |
| H22 | C22 | C23 | H24 | 51.5° | 167.8° |
| H22 | C22 | C23 | H23 | 68.4° | 72.0° |
| H25 | C24 | C23 | H24 | 58.4° | 62.5° |
| H25 | C24 | C23 | H23 | 178.2° | 57.8° |
| H26 | C24 | C23 | H24 | 60.5° | 179.8° |
| H26 | C24 | C23 | H23 | 59.3° | 59.9° |
| H | C3 | C1 | H5 | 179.5° | 65.0° |
| H | C3 | N | H9 | 154.8° | 145.0° |
| H5 | C1 | C2 | H7 | 62.6° | 180.0° |
| H5 | C1 | C2 | H6 | 177.4° | 60.0° |
| H5 | C1 | C2 | H8 | 57.4° | 60.0° |
| H5 | C1 | C | H4 | 62.3° | NaN° |
| H5 | C1 | C | H3 | 57.7° | 60.0° |
| H5 | C1 | C | H2 | 177.7° | 60.0° |
| H7 | C2 | H6 | H8 | 120.0° | 120.0° |
| H4 | C | H3 | H2 | 120.0° | 120.0° |
| H14 | C11 | H13 | H15 | 120.0° | 120.1° |
