9JY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C8 | sing | 1.43Å | 1.42Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | N1 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| N1 | C9 | sing | 1.39Å | 1.35Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C22 | sing | 1.54Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| N4 | C14 | doub | 1.32Å | 1.33Å | Aromatic |
| N4 | C13 | sing | 1.33Å | 1.37Å | Aromatic |
| C9 | C14 | sing | 1.42Å | 1.47Å | Aromatic |
| C9 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | N3 | sing | 1.37Å | 1.39Å | Aromatic |
| N2 | C10 | sing | 1.34Å | 1.37Å | Aromatic |
| C22 | N | sing | 1.47Å | 1.48Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| N3 | C12 | sing | 1.37Å | 1.39Å | Aromatic |
| N3 | C11 | sing | 1.37Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.35Å | 1.35Å | Aromatic |
| C12 | C15 | sing | 1.48Å | 1.48Å | |
| N | C2 | sing | 1.47Å | 1.48Å | |
| N | S | sing | 1.66Å | 1.63Å | |
| C | C1 | sing | 1.53Å | 1.51Å | |
| O | S | doub | 1.42Å | 1.43Å | |
| C15 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | S | sing | 1.81Å | 1.78Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | 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 | |
| C5 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C8 | H29 | sing | 1.09Å | 1.10Å | |
| N1 | H30 | sing | 0.97Å | 1.00Å | |
| C10 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C8 | C7 | 110.6° | 109.5° |
| C8 | O2 | H7 | 109.5° | 114.0° |
| O2 | C8 | H28 | 109.2° | 109.5° |
| O2 | C8 | H29 | 109.2° | 109.5° |
| C8 | C7 | C6 | 111.2° | 109.5° |
| C8 | C7 | N1 | 111.4° | 109.4° |
| C8 | C7 | H27 | 108.0° | 109.5° |
| C7 | C8 | H28 | 109.2° | 109.4° |
| C7 | C8 | H29 | 109.2° | 109.5° |
| C6 | C7 | N1 | 109.5° | 109.5° |
| C7 | C6 | C5 | 122.7° | 109.5° |
| C7 | C6 | H25 | 106.1° | 109.5° |
| C7 | C6 | H26 | 106.1° | 109.5° |
| C6 | C7 | H27 | 107.9° | 109.5° |
| C7 | N1 | C9 | 128.5° | 120.0° |
| N1 | C7 | H27 | 108.7° | 109.5° |
| C7 | N1 | H30 | 104.5° | 120.0° |
| C6 | C5 | C4 | 110.9° | 109.5° |
| C6 | C5 | C22 | 114.3° | 109.6° |
| C6 | C5 | H22 | 107.4° | 109.5° |
| C5 | C6 | H25 | 106.1° | 109.4° |
| C5 | C6 | H26 | 106.1° | 109.5° |
| N1 | C9 | C14 | 115.2° | 120.2° |
| N1 | C9 | N2 | 123.8° | 120.2° |
| C9 | N1 | H30 | 104.5° | 120.0° |
| C4 | C5 | C22 | 109.1° | 109.4° |
| C5 | C4 | C3 | 111.7° | 109.5° |
| C4 | C5 | H22 | 107.5° | 109.5° |
| C5 | C4 | H23 | 108.9° | 109.5° |
| C5 | C4 | H24 | 108.9° | 109.5° |
| C5 | C22 | N | 113.1° | 108.7° |
| C5 | C22 | H17 | 108.5° | 109.5° |
| C5 | C22 | H18 | 108.6° | 109.9° |
| C22 | C5 | H22 | 107.4° | 109.4° |
| C4 | C3 | C2 | 110.5° | 109.3° |
| C4 | C3 | H5 | 109.2° | 109.5° |
| C4 | C3 | H6 | 109.2° | 109.5° |
| C3 | C4 | H23 | 108.9° | 109.5° |
| C3 | C4 | H24 | 108.9° | 109.4° |
| C14 | N4 | C13 | 105.7° | 109.6° |
| N4 | C14 | C9 | 133.2° | 133.0° |
| N4 | C14 | N3 | 110.8° | 108.4° |
| N4 | C13 | C12 | 111.5° | 108.2° |
| N4 | C13 | H9 | 124.2° | 125.9° |
| C14 | C9 | N2 | 121.0° | 119.6° |
| C9 | C14 | N3 | 116.0° | 118.6° |
| C9 | N2 | C10 | 119.0° | 121.3° |
| C14 | N3 | C12 | 107.1° | 107.1° |
| C14 | N3 | C11 | 121.7° | 119.3° |
| N2 | C10 | C11 | 123.6° | 121.3° |
| N2 | C10 | H31 | 118.2° | 119.3° |
| C22 | N | C2 | 113.3° | 118.7° |
| C22 | N | S | 118.8° | 120.6° |
| N | C22 | H17 | 108.6° | 109.6° |
| N | C22 | H18 | 108.5° | 109.6° |
| C13 | C12 | N3 | 104.8° | 106.6° |
| C13 | C12 | C15 | 130.0° | 126.7° |
| C12 | C13 | H9 | 124.2° | 125.9° |
| C3 | C2 | N | 114.2° | 108.9° |
| C3 | C2 | H3 | 108.3° | 109.6° |
| C3 | C2 | H4 | 108.3° | 109.6° |
| C2 | C3 | H5 | 109.2° | 109.5° |
| C2 | C3 | H6 | 109.2° | 109.4° |
| C12 | N3 | C11 | 131.2° | 133.6° |
| N3 | C12 | C15 | 125.3° | 126.7° |
| N3 | C11 | C10 | 118.8° | 119.9° |
| N3 | C11 | H8 | 120.6° | 120.1° |
| C10 | C11 | H8 | 120.6° | 120.0° |
| C11 | C10 | H31 | 118.2° | 119.4° |
| C12 | C15 | C21 | 121.5° | 120.2° |
| C12 | C15 | C16 | 120.0° | 120.1° |
| C2 | N | S | 116.6° | 120.7° |
| N | C2 | H3 | 108.3° | 109.6° |
| N | C2 | H4 | 108.3° | 109.6° |
| N | S | O | 107.3° | 104.3° |
| N | S | C1 | 104.7° | 104.4° |
| N | S | O1 | 107.0° | 104.3° |
| C | C1 | S | 116.3° | 109.5° |
| C | C1 | H1 | 107.7° | 109.5° |
| C | C1 | H2 | 107.7° | 109.5° |
| C1 | C | H19 | 109.5° | 109.5° |
| C1 | C | H20 | 109.5° | 109.5° |
| C1 | C | H21 | 109.5° | 109.5° |
| O | S | C1 | 109.7° | 110.5° |
| O | S | O1 | 118.8° | 121.0° |
| C21 | C15 | C16 | 118.3° | 119.7° |
| C15 | C21 | C20 | 120.5° | 119.9° |
| C15 | C21 | H16 | 119.7° | 120.0° |
| C15 | C16 | C17 | 120.6° | 119.8° |
| C15 | C16 | H10 | 119.7° | 120.1° |
| C1 | S | O1 | 108.4° | 110.6° |
| S | C1 | H1 | 107.8° | 109.4° |
| S | C1 | H2 | 107.8° | 109.5° |
| C21 | C20 | C18 | 121.4° | 120.1° |
| C21 | C20 | H15 | 119.3° | 119.9° |
| C20 | C21 | H16 | 119.8° | 120.1° |
| C16 | C17 | C18 | 121.4° | 120.1° |
| C17 | C16 | H10 | 119.7° | 120.1° |
| C16 | C17 | H11 | 119.3° | 119.9° |
| C20 | C18 | C17 | 117.9° | 120.4° |
| C20 | C18 | C19 | 121.1° | 119.8° |
| C18 | C20 | H15 | 119.3° | 120.0° |
| C17 | C18 | C19 | 121.0° | 119.9° |
| C18 | C17 | H11 | 119.3° | 120.0° |
| C18 | C19 | H12 | 109.5° | 109.4° |
| C18 | C19 | H13 | 109.5° | 109.5° |
| C18 | C19 | H14 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.6° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H12 | C19 | H14 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.4° |
| H17 | C22 | H18 | 109.5° | 109.6° |
| H19 | C | H20 | 109.5° | 109.4° |
| H19 | C | H21 | 109.4° | 109.5° |
| H20 | C | H21 | 109.5° | 109.5° |
| H23 | C4 | H24 | 109.5° | 109.4° |
| H25 | C6 | H26 | 109.5° | 109.5° |
| H28 | C8 | H29 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C8 | C7 | H28 | 120.2° | 120.0° |
| O2 | C8 | C7 | H29 | 120.2° | 120.1° |
| O2 | C8 | C7 | C6 | 179.3° | 54.9° |
| O2 | C8 | C7 | N1 | 58.2° | 65.0° |
| O2 | C8 | C7 | H27 | 61.1° | 174.9° |
| O2 | C8 | H28 | H29 | 119.5° | 120.0° |
| C8 | C7 | C6 | N1 | 123.6° | 120.0° |
| C8 | C7 | C6 | H27 | 118.3° | 120.0° |
| C8 | C7 | N1 | H27 | 118.9° | 120.0° |
| C8 | C7 | C6 | C5 | 148.9° | 175.0° |
| C8 | C7 | N1 | C9 | 121.4° | 85.0° |
| C7 | C8 | O2 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | H25 | 89.3° | 55.1° |
| C8 | C7 | C6 | H26 | 27.1° | 64.9° |
| C7 | C8 | H28 | H29 | 119.4° | 119.9° |
| C8 | C7 | N1 | H30 | 1.0° | 95.0° |
| C6 | C7 | N1 | H27 | 117.6° | 120.0° |
| C7 | C6 | C5 | H25 | 121.8° | 120.0° |
| C7 | C6 | C5 | H26 | 121.8° | 120.0° |
| C6 | C7 | N1 | C9 | 115.1° | 155.0° |
| C7 | C6 | C5 | C4 | 144.8° | 64.9° |
| C7 | C6 | C5 | C22 | 21.0° | 175.1° |
| C7 | C6 | C5 | H22 | 98.0° | 55.1° |
| C7 | C6 | H25 | H26 | 114.1° | 120.0° |
| C6 | C7 | C8 | H28 | 60.5° | 65.0° |
| C6 | C7 | C8 | H29 | 59.1° | 175.0° |
| C6 | C7 | N1 | H30 | 122.5° | 25.0° |
| N1 | C7 | C6 | C5 | 87.5° | 65.0° |
| C7 | N1 | C9 | H30 | 122.5° | 180.0° |
| C7 | N1 | C9 | C14 | 176.9° | 180.0° |
| C7 | N1 | C9 | N2 | 0.5° | 0.2° |
| N1 | C7 | C6 | H25 | 34.3° | 175.0° |
| N1 | C7 | C6 | H26 | 150.7° | 55.0° |
| N1 | C7 | C8 | H28 | 62.0° | 175.0° |
| N1 | C7 | C8 | H29 | 178.4° | 55.1° |
| C6 | C5 | C4 | C22 | 126.8° | 120.1° |
| C6 | C5 | C4 | H22 | 117.1° | 120.0° |
| C6 | C5 | C22 | H22 | 119.1° | 120.0° |
| C6 | C5 | C4 | C3 | 176.4° | 178.6° |
| C6 | C5 | C22 | N | 179.8° | 174.5° |
| C6 | C5 | C22 | H17 | 59.6° | 54.9° |
| C6 | C5 | C22 | H18 | 59.3° | 65.5° |
| C6 | C5 | C4 | H23 | 63.3° | 58.6° |
| C6 | C5 | C4 | H24 | 56.1° | 61.4° |
| C5 | C6 | H25 | H26 | 114.0° | 120.0° |
| C5 | C6 | C7 | H27 | 30.6° | 55.0° |
| N1 | C9 | C14 | N4 | 5.4° | 0.1° |
| N1 | C9 | C14 | N2 | 177.4° | 179.8° |
| N1 | C9 | C14 | N3 | 175.8° | 180.0° |
| N1 | C9 | N2 | C10 | 175.9° | 179.9° |
| C9 | N1 | C7 | H27 | 2.5° | 35.0° |
| C4 | C5 | C22 | H22 | 116.2° | 120.0° |
| C5 | C4 | C3 | H23 | 120.3° | 120.1° |
| C5 | C4 | C3 | H24 | 120.3° | 120.0° |
| C4 | C5 | C22 | N | 55.1° | 54.5° |
| C5 | C4 | C3 | C2 | 54.8° | 61.4° |
| C5 | C4 | C3 | H5 | 175.0° | 58.6° |
| C5 | C4 | C3 | H6 | 65.3° | 178.7° |
| C4 | C5 | C22 | H17 | 175.6° | 65.2° |
| C4 | C5 | C22 | H18 | 65.4° | 174.4° |
| C5 | C4 | H23 | H24 | 119.0° | 120.0° |
| C4 | C5 | C6 | H25 | 23.0° | 55.0° |
| C4 | C5 | C6 | H26 | 93.4° | 175.0° |
| C22 | C5 | C4 | C3 | 56.8° | 61.3° |
| C5 | C22 | N | H17 | 120.5° | 119.6° |
| C5 | C22 | N | H18 | 120.5° | 120.1° |
| C5 | C22 | N | C2 | 51.8° | 53.4° |
| C5 | C22 | N | S | 165.8° | 126.5° |
| C5 | C22 | H17 | H18 | 118.4° | 120.6° |
| C22 | C5 | C4 | H23 | 63.5° | 178.7° |
| C22 | C5 | C4 | H24 | 177.2° | 58.7° |
| C22 | C5 | C6 | H25 | 100.8° | 64.9° |
| C22 | C5 | C6 | H26 | 142.8° | 55.0° |
| C4 | C3 | C2 | H5 | 120.2° | 120.0° |
| C4 | C3 | C2 | H6 | 120.2° | 120.0° |
| C4 | C3 | C2 | N | 50.6° | 54.7° |
| C4 | C3 | C2 | H3 | 70.1° | 65.1° |
| C4 | C3 | C2 | H4 | 171.3° | 174.6° |
| C4 | C3 | H5 | H6 | 119.5° | 120.1° |
| C3 | C4 | C5 | H22 | 59.3° | 58.6° |
| C3 | C4 | H23 | H24 | 119.0° | 119.9° |
| N4 | C14 | C9 | N3 | 178.8° | 179.9° |
| N4 | C14 | C9 | N2 | 177.2° | 179.7° |
| C14 | N4 | C13 | C12 | 0.6° | 0.0° |
| N4 | C14 | N3 | C12 | 0.1° | 0.0° |
| N4 | C14 | N3 | C11 | 178.4° | 180.0° |
| C14 | N4 | C13 | H9 | 179.4° | 180.0° |
| C13 | N4 | C14 | C9 | 178.4° | 179.9° |
| C13 | N4 | C14 | N3 | 0.5° | 0.0° |
| N4 | C13 | C12 | H9 | 180.0° | 180.0° |
| N4 | C13 | C12 | N3 | 0.5° | 0.1° |
| N4 | C13 | C12 | C15 | 178.9° | 180.0° |
| C14 | C9 | N2 | C10 | 1.3° | 0.3° |
| C9 | C14 | N3 | C12 | 178.9° | 179.9° |
| C9 | C14 | N3 | C11 | 0.7° | 0.1° |
| C14 | C9 | N1 | H30 | 60.7° | 0.0° |
| N2 | C9 | C14 | N3 | 1.6° | 0.2° |
| C9 | N2 | C10 | C11 | 0.1° | 0.1° |
| N2 | C9 | N1 | H30 | 122.0° | 179.8° |
| C9 | N2 | C10 | H31 | 179.9° | 180.0° |
| C14 | N3 | C12 | C13 | 0.2° | 0.1° |
| C14 | N3 | C12 | C11 | 178.0° | 179.9° |
| C14 | N3 | C11 | C10 | 0.6° | 0.3° |
| C14 | N3 | C12 | C15 | 179.2° | 179.9° |
| C14 | N3 | C11 | H8 | 179.4° | 180.0° |
| N2 | C10 | C11 | N3 | 1.0° | 0.2° |
| N2 | C10 | C11 | H31 | 180.0° | 179.9° |
| N2 | C10 | C11 | H8 | 179.0° | 179.9° |
| C22 | N | C2 | C3 | 49.5° | 53.6° |
| C22 | N | C2 | S | 143.3° | 179.9° |
| C22 | N | S | O | 8.7° | 153.9° |
| C22 | N | S | C1 | 107.9° | 90.1° |
| C22 | N | S | O1 | 137.2° | 26.0° |
| C22 | N | C2 | H3 | 71.2° | 66.2° |
| C22 | N | C2 | H4 | 170.2° | 173.5° |
| N | C22 | H17 | H18 | 118.3° | 120.3° |
| N | C22 | C5 | H22 | 61.1° | 65.5° |
| C13 | C12 | N3 | C15 | 179.5° | 180.0° |
| C13 | C12 | N3 | C11 | 177.8° | 180.0° |
| C13 | C12 | C15 | C21 | 126.7° | 21.3° |
| C13 | C12 | C15 | C16 | 47.2° | 158.4° |
| C3 | C2 | N | H3 | 120.7° | 119.9° |
| C3 | C2 | N | H4 | 120.7° | 119.9° |
| C3 | C2 | N | S | 167.2° | 126.3° |
| C3 | C2 | H3 | H4 | 117.9° | 120.3° |
| C2 | C3 | H5 | H6 | 119.5° | 120.0° |
| C2 | C3 | C4 | H23 | 65.5° | 178.5° |
| C2 | C3 | C4 | H24 | 175.2° | 58.6° |
| C12 | N3 | C11 | C10 | 177.2° | 179.8° |
| N3 | C12 | C15 | C21 | 54.0° | 158.7° |
| N3 | C12 | C15 | C16 | 132.1° | 21.6° |
| C12 | N3 | C11 | H8 | 2.8° | 0.1° |
| N3 | C12 | C13 | H9 | 179.5° | 180.0° |
| N3 | C11 | C10 | H8 | 180.0° | 179.7° |
| C11 | N3 | C12 | C15 | 2.8° | 0.0° |
| N3 | C11 | C10 | H31 | 179.0° | 179.7° |
| C12 | C15 | C21 | C16 | 174.0° | 179.7° |
| C12 | C15 | C21 | C20 | 171.8° | 179.8° |
| C12 | C15 | C16 | C17 | 172.2° | 179.9° |
| C15 | C12 | C13 | H9 | 1.1° | 0.0° |
| C12 | C15 | C16 | H10 | 7.9° | 0.1° |
| C12 | C15 | C21 | H16 | 8.2° | 0.0° |
| C2 | N | S | O | 132.5° | 26.0° |
| C2 | N | S | C1 | 110.9° | 90.0° |
| C2 | N | S | O1 | 3.9° | 153.9° |
| N | C2 | H3 | H4 | 117.8° | 120.3° |
| N | C2 | C3 | H5 | 170.7° | 65.3° |
| N | C2 | C3 | H6 | 69.6° | 174.7° |
| C2 | N | C22 | H17 | 172.3° | 66.2° |
| C2 | N | C22 | H18 | 68.8° | 173.5° |
| N | S | C1 | C | 118.1° | 180.0° |
| N | S | O | C1 | 113.2° | 111.7° |
| N | S | O | O1 | 121.4° | 116.8° |
| N | S | C1 | O1 | 113.9° | 111.7° |
| N | S | C1 | H1 | 2.8° | 60.0° |
| N | S | C1 | H2 | 120.9° | 59.9° |
| S | N | C2 | H3 | 72.1° | 113.8° |
| S | N | C2 | H4 | 46.5° | 6.4° |
| S | N | C22 | H17 | 45.3° | 113.8° |
| S | N | C22 | H18 | 73.7° | 6.4° |
| C | C1 | S | O | 3.2° | 68.4° |
| C | C1 | S | H1 | 121.0° | 120.0° |
| C | C1 | S | H2 | 121.0° | 120.0° |
| C | C1 | S | O1 | 128.0° | 68.3° |
| C | C1 | H1 | H2 | 116.9° | 120.0° |
| C1 | C | H19 | H20 | 120.0° | 120.0° |
| C1 | C | H19 | H21 | 120.0° | 120.0° |
| C1 | C | H20 | H21 | 120.0° | 120.0° |
| O | S | C1 | O1 | 131.2° | 136.7° |
| O | S | C1 | H1 | 117.8° | 171.6° |
| O | S | C1 | H2 | 124.2° | 51.6° |
| C15 | C21 | C20 | H16 | 180.0° | 179.7° |
| C21 | C15 | C16 | C17 | 1.9° | 0.3° |
| C15 | C21 | C20 | C18 | 0.8° | 0.5° |
| C21 | C15 | C16 | H10 | 178.1° | 179.8° |
| C15 | C21 | C20 | H15 | 179.2° | 179.7° |
| C16 | C15 | C21 | C20 | 2.1° | 0.5° |
| C15 | C16 | C17 | H10 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C15 | C16 | C17 | H11 | 179.7° | 179.9° |
| C16 | C15 | C21 | H16 | 177.8° | 179.7° |
| S | C1 | H1 | H2 | 116.9° | 120.0° |
| S | C1 | C | H19 | 180.0° | 60.0° |
| S | C1 | C | H20 | 60.0° | 179.9° |
| S | C1 | C | H21 | 60.0° | 60.0° |
| O1 | S | C1 | H1 | 111.0° | 51.7° |
| O1 | S | C1 | H2 | 7.0° | 171.6° |
| C21 | C20 | C18 | H15 | 180.0° | 179.8° |
| C21 | C20 | C18 | C17 | 0.7° | 0.2° |
| C21 | C20 | C18 | C19 | 178.4° | 179.7° |
| C16 | C17 | C18 | C20 | 1.0° | 0.1° |
| C16 | C17 | C18 | H11 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 178.1° | 180.0° |
| C20 | C18 | C17 | C19 | 179.1° | 179.9° |
| C20 | C18 | C17 | H11 | 179.0° | 180.0° |
| C20 | C18 | C19 | H12 | 89.6° | 90.0° |
| C20 | C18 | C19 | H13 | 150.4° | 30.1° |
| C20 | C18 | C19 | H14 | 30.4° | 150.0° |
| C18 | C20 | C21 | H16 | 179.1° | 179.8° |
| C18 | C17 | C16 | H10 | 179.6° | 179.9° |
| C17 | C18 | C19 | H12 | 89.5° | 90.0° |
| C17 | C18 | C19 | H13 | 30.5° | 150.0° |
| C17 | C18 | C19 | H14 | 150.5° | 30.0° |
| C17 | C18 | C20 | H15 | 179.3° | 180.0° |
| C19 | C18 | C17 | H11 | 1.9° | 0.1° |
| C18 | C19 | H12 | H13 | 120.0° | 120.0° |
| C18 | C19 | H12 | H14 | 120.0° | 120.0° |
| C18 | C19 | H13 | H14 | 120.0° | 120.0° |
| C19 | C18 | C20 | H15 | 1.6° | 0.0° |
| H1 | C1 | C | H19 | 59.0° | 60.0° |
| H1 | C1 | C | H20 | 61.0° | 60.0° |
| H1 | C1 | C | H21 | 179.0° | 180.0° |
| H2 | C1 | C | H19 | 59.0° | 180.0° |
| H2 | C1 | C | H20 | 179.0° | 60.0° |
| H2 | C1 | C | H21 | 61.0° | 60.0° |
| H3 | C2 | C3 | H5 | 50.0° | 174.9° |
| H3 | C2 | C3 | H6 | 169.7° | 54.9° |
| H4 | C2 | C3 | H5 | 68.5° | 54.6° |
| H4 | C2 | C3 | H6 | 51.1° | 65.4° |
| H5 | C3 | C4 | H23 | 54.7° | 61.5° |
| H5 | C3 | C4 | H24 | 64.7° | 178.6° |
| H6 | C3 | C4 | H23 | 174.3° | 58.6° |
| H6 | C3 | C4 | H24 | 55.0° | 61.3° |
| H7 | O2 | C8 | H28 | 59.8° | 60.1° |
| H7 | O2 | C8 | H29 | 59.8° | 59.9° |
| H8 | C11 | C10 | H31 | 1.0° | 0.0° |
| H10 | C16 | C17 | H11 | 0.4° | 0.0° |
| H12 | C19 | H13 | H14 | 120.0° | 120.0° |
| H15 | C20 | C21 | H16 | 0.8° | 0.0° |
| H17 | C22 | C5 | H22 | 59.4° | 174.9° |
| H18 | C22 | C5 | H22 | 178.4° | 54.5° |
| H19 | C | H20 | H21 | 119.9° | 120.0° |
| H22 | C5 | C4 | H23 | 179.7° | 61.5° |
| H22 | C5 | C4 | H24 | 61.0° | 178.5° |
| H22 | C5 | C6 | H25 | 140.1° | 175.1° |
| H22 | C5 | C6 | H26 | 23.8° | 64.9° |
| H25 | C6 | C7 | H27 | 152.4° | 65.0° |
| H26 | C6 | C7 | H27 | 91.2° | 175.0° |
| H27 | C7 | C8 | H28 | 178.7° | 54.9° |
| H27 | C7 | C8 | H29 | 59.1° | 65.0° |
| H27 | C7 | N1 | H30 | 119.9° | 145.0° |
