A1JLB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O3 | doub | 1.42Å | 1.43Å | |
| S1 | N2 | sing | 1.66Å | 1.62Å | |
| S1 | C12 | sing | 1.76Å | 1.76Å | |
| C22 | N2 | sing | 1.49Å | 1.48Å | |
| C22 | C23 | sing | 1.55Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| N2 | C11 | sing | 1.48Å | 1.49Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C10 | sing | 1.55Å | 1.55Å | |
| C25 | C26 | sing | 1.54Å | 1.56Å | |
| C25 | C28 | sing | 1.54Å | 1.56Å | |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C11 | C10 | sing | 1.54Å | 1.54Å | |
| C20 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.55Å | |
| C10 | C27 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.54Å | 1.56Å | |
| C28 | C30 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C16 | C19 | sing | 1.51Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.48Å | |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C31 | C32 | doub | 1.38Å | 1.37Å | Aromatic |
| C31 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.40Å | 1.42Å | |
| N1 | C7 | sing | 1.35Å | 1.35Å | |
| O4 | C19 | doub | 1.21Å | 1.26Å | |
| C19 | O5 | sing | 1.34Å | 1.26Å | |
| C32 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | O1 | doub | 1.21Å | 1.24Å | |
| C3 | C2 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | trip | 1.17Å | 1.16Å | |
| C1 | H1 | sing | 1.05Å | 1.06Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | 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 | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.08Å | 1.08Å | |
| C32 | H37 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| O5 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S1 | O3 | 119.3° | 123.2° |
| O2 | S1 | N2 | 105.7° | 106.4° |
| O2 | S1 | C12 | 108.0° | 106.4° |
| O3 | S1 | N2 | 107.0° | 106.4° |
| O3 | S1 | C12 | 106.4° | 106.4° |
| N2 | S1 | C12 | 110.3° | 107.2° |
| S1 | N2 | C22 | 122.0° | 125.7° |
| S1 | N2 | C11 | 117.9° | 125.8° |
| S1 | C12 | C13 | 119.7° | 120.0° |
| S1 | C12 | C21 | 119.8° | 120.0° |
| N2 | C22 | C23 | 100.0° | 107.2° |
| C22 | N2 | C11 | 107.5° | 108.5° |
| N2 | C22 | H21 | 111.8° | 109.8° |
| N2 | C22 | H22 | 111.8° | 109.9° |
| C22 | C23 | C24 | 113.6° | 107.7° |
| C22 | C23 | C10 | 105.5° | 102.5° |
| C23 | C22 | H21 | 111.8° | 109.9° |
| C23 | C22 | H22 | 111.8° | 109.9° |
| C22 | C23 | H23 | 107.4° | 112.0° |
| C23 | C24 | C25 | 114.7° | 109.9° |
| C24 | C23 | C10 | 115.1° | 109.4° |
| C24 | C23 | H23 | 107.6° | 112.4° |
| C23 | C24 | H24 | 108.2° | 109.4° |
| C23 | C24 | H25 | 108.1° | 109.4° |
| C24 | C25 | C26 | 111.1° | 110.8° |
| C24 | C25 | C28 | 111.6° | 111.8° |
| C25 | C24 | H24 | 108.1° | 109.4° |
| C25 | C24 | H25 | 108.1° | 109.4° |
| C24 | C25 | H26 | 115.4° | 114.0° |
| N2 | C11 | C10 | 105.1° | 104.7° |
| N2 | C11 | H9 | 110.6° | 110.4° |
| N2 | C11 | H10 | 110.6° | 110.5° |
| C13 | C12 | C21 | 120.5° | 120.0° |
| C12 | C13 | C14 | 119.2° | 120.0° |
| C12 | C13 | H11 | 120.4° | 120.0° |
| C12 | C21 | C20 | 119.3° | 120.0° |
| C12 | C21 | H20 | 120.3° | 120.0° |
| C13 | C14 | C15 | 122.4° | 120.0° |
| C14 | C13 | H11 | 120.4° | 120.0° |
| C13 | C14 | H12 | 118.8° | 120.0° |
| C23 | C10 | C11 | 104.2° | 102.9° |
| C23 | C10 | C27 | 110.1° | 109.8° |
| C23 | C10 | C9 | 113.4° | 111.2° |
| C10 | C23 | H23 | 107.3° | 112.3° |
| C26 | C25 | C28 | 86.2° | 86.1° |
| C25 | C26 | C27 | 85.0° | 85.2° |
| C26 | C25 | H26 | 114.5° | 115.1° |
| C25 | C26 | H28 | 115.2° | 113.9° |
| C25 | C26 | H27 | 115.2° | 113.9° |
| C25 | C28 | C27 | 85.0° | 84.7° |
| C25 | C28 | C30 | 117.5° | 114.0° |
| C25 | C28 | C29 | 115.0° | 113.9° |
| C28 | C25 | H26 | 114.5° | 116.0° |
| C21 | C20 | C15 | 122.0° | 120.0° |
| C21 | C20 | H19 | 119.0° | 120.0° |
| C20 | C21 | H20 | 120.4° | 120.0° |
| C14 | C15 | C20 | 116.6° | 120.0° |
| C14 | C15 | C16 | 121.3° | 120.0° |
| C15 | C14 | H12 | 118.8° | 120.0° |
| C26 | C27 | C10 | 107.8° | 112.7° |
| C26 | C27 | C28 | 85.9° | 86.7° |
| C27 | C26 | H28 | 115.2° | 113.9° |
| C27 | C26 | H27 | 115.2° | 113.9° |
| C26 | C27 | H29 | 113.5° | 114.4° |
| C17 | C16 | C15 | 107.4° | 109.5° |
| C17 | C16 | C19 | 110.8° | 109.5° |
| C17 | C16 | C18 | 107.2° | 109.5° |
| C16 | C17 | H14 | 109.5° | 109.5° |
| C16 | C17 | H13 | 109.5° | 109.5° |
| C16 | C17 | H15 | 109.5° | 109.5° |
| C11 | C10 | C27 | 113.5° | 110.4° |
| C11 | C10 | C9 | 105.1° | 111.2° |
| C10 | C11 | H9 | 110.6° | 110.4° |
| C10 | C11 | H10 | 110.6° | 110.4° |
| C20 | C15 | C16 | 122.0° | 120.0° |
| C15 | C20 | H19 | 119.0° | 120.0° |
| C15 | C16 | C19 | 108.7° | 109.5° |
| C15 | C16 | C18 | 112.9° | 109.5° |
| C27 | C10 | C9 | 110.4° | 111.1° |
| C10 | C27 | C28 | 118.7° | 111.1° |
| C10 | C27 | H29 | 114.0° | 113.8° |
| C10 | C9 | C8 | 109.2° | 109.5° |
| C10 | C9 | H8 | 109.5° | 109.5° |
| C10 | C9 | H7 | 109.6° | 109.5° |
| C27 | C28 | C30 | 119.5° | 114.3° |
| C27 | C28 | C29 | 111.5° | 113.9° |
| C28 | C27 | H29 | 113.5° | 115.5° |
| C30 | C28 | C29 | 107.4° | 113.1° |
| C28 | C30 | H34 | 109.5° | 109.5° |
| C28 | C30 | H35 | 109.5° | 109.5° |
| C28 | C30 | H33 | 109.5° | 109.5° |
| C28 | C29 | H31 | 109.5° | 109.5° |
| C28 | C29 | H32 | 109.4° | 109.5° |
| C28 | C29 | H30 | 109.5° | 109.5° |
| C19 | C16 | C18 | 109.8° | 109.4° |
| C16 | C19 | O4 | 122.2° | 120.0° |
| C16 | C19 | O5 | 116.4° | 120.0° |
| C16 | C18 | H17 | 109.5° | 109.5° |
| C16 | C18 | H18 | 109.5° | 109.5° |
| C16 | C18 | H16 | 109.5° | 109.5° |
| C9 | C8 | C7 | 115.1° | 109.5° |
| C9 | C8 | H6 | 108.1° | 109.5° |
| C9 | C8 | H5 | 108.0° | 109.4° |
| C8 | C9 | H8 | 109.6° | 109.5° |
| C8 | C9 | H7 | 109.5° | 109.4° |
| C8 | C7 | N1 | 111.2° | 120.0° |
| C8 | C7 | O1 | 123.8° | 120.0° |
| C7 | C8 | H6 | 108.1° | 109.4° |
| C7 | C8 | H5 | 108.1° | 109.5° |
| C32 | C31 | C6 | 120.0° | 120.1° |
| C31 | C32 | C3 | 120.4° | 119.9° |
| C32 | C31 | H36 | 120.0° | 120.0° |
| C31 | C32 | H37 | 119.8° | 120.0° |
| C31 | C6 | N1 | 119.1° | 119.9° |
| C31 | C6 | C5 | 119.7° | 120.1° |
| C6 | C31 | H36 | 120.0° | 120.0° |
| C6 | N1 | C7 | 130.9° | 120.0° |
| N1 | C6 | C5 | 121.2° | 120.0° |
| C6 | N1 | H4 | 114.6° | 120.1° |
| N1 | C7 | O1 | 125.1° | 120.0° |
| C7 | N1 | H4 | 114.5° | 119.9° |
| O4 | C19 | O5 | 121.3° | 120.0° |
| C19 | O5 | H38 | 109.5° | 117.0° |
| C32 | C3 | C2 | 121.3° | 120.0° |
| C32 | C3 | C4 | 119.0° | 119.9° |
| C3 | C32 | H37 | 119.8° | 120.1° |
| C6 | C5 | C4 | 119.8° | 120.1° |
| C6 | C5 | H3 | 120.1° | 120.0° |
| C2 | C3 | C4 | 119.6° | 120.1° |
| C3 | C2 | C1 | 176.3° | 180.0° |
| C3 | C4 | C5 | 121.0° | 119.9° |
| C3 | C4 | H2 | 119.5° | 120.0° |
| C5 | C4 | H2 | 119.5° | 120.0° |
| C4 | C5 | H3 | 120.1° | 119.9° |
| C2 | C1 | H1 | 180.0° | 180.0° |
| H9 | C11 | H10 | 109.5° | 110.4° |
| H14 | C17 | H13 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H13 | C17 | H15 | 109.5° | 109.4° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H17 | C18 | H16 | 109.5° | 109.4° |
| H18 | C18 | H16 | 109.4° | 109.4° |
| H21 | C22 | H22 | 109.5° | 110.0° |
| H24 | C24 | H25 | 109.5° | 109.3° |
| H28 | C26 | H27 | 109.5° | 113.1° |
| H31 | C29 | H32 | 109.5° | 109.4° |
| H31 | C29 | H30 | 109.4° | 109.5° |
| H32 | C29 | H30 | 109.5° | 109.5° |
| H34 | C30 | H35 | 109.5° | 109.5° |
| H34 | C30 | H33 | 109.5° | 109.4° |
| H35 | C30 | H33 | 109.4° | 109.4° |
| H6 | C8 | H5 | 109.4° | 109.5° |
| H8 | C9 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S1 | O3 | N2 | 119.8° | 123.0° |
| O2 | S1 | O3 | C12 | 122.2° | 122.9° |
| O2 | S1 | N2 | C12 | 116.5° | 113.5° |
| O2 | S1 | N2 | C22 | 30.3° | 161.5° |
| O2 | S1 | N2 | C11 | 167.3° | 18.5° |
| O2 | S1 | C12 | C13 | 102.2° | 151.4° |
| O2 | S1 | C12 | C21 | 77.6° | 28.4° |
| O3 | S1 | N2 | C12 | 115.3° | 113.5° |
| O3 | S1 | N2 | C22 | 158.5° | 28.6° |
| O3 | S1 | N2 | C11 | 64.5° | 151.5° |
| O3 | S1 | C12 | C13 | 27.0° | 18.5° |
| O3 | S1 | C12 | C21 | 153.3° | 161.3° |
| S1 | N2 | C22 | C11 | 140.8° | 180.0° |
| S1 | N2 | C22 | C23 | 177.1° | 179.4° |
| N2 | S1 | C12 | C13 | 142.7° | 95.1° |
| N2 | S1 | C12 | C21 | 37.5° | 85.2° |
| S1 | N2 | C11 | C10 | 172.5° | 156.8° |
| S1 | N2 | C11 | H9 | 68.2° | 38.0° |
| S1 | N2 | C11 | H10 | 53.2° | 84.4° |
| S1 | N2 | C22 | H21 | 64.5° | 61.2° |
| S1 | N2 | C22 | H22 | 58.6° | 59.9° |
| C12 | S1 | N2 | C22 | 86.2° | 85.0° |
| C12 | S1 | N2 | C11 | 50.8° | 95.0° |
| S1 | C12 | C13 | C21 | 179.7° | 179.8° |
| S1 | C12 | C13 | C14 | 179.3° | 179.7° |
| S1 | C12 | C21 | C20 | 179.6° | 179.6° |
| S1 | C12 | C13 | H11 | 0.7° | 0.3° |
| S1 | C12 | C21 | H20 | 0.4° | 0.2° |
| N2 | C22 | C23 | H21 | 118.4° | 119.4° |
| N2 | C22 | C23 | H22 | 118.4° | 119.4° |
| N2 | C22 | C23 | C24 | 88.9° | 93.5° |
| N2 | C22 | C23 | C10 | 38.1° | 21.9° |
| C22 | N2 | C11 | C10 | 29.9° | 23.2° |
| C22 | N2 | C11 | H9 | 149.2° | 142.0° |
| C22 | N2 | C11 | H10 | 89.4° | 95.6° |
| N2 | C22 | H21 | H22 | 124.4° | 121.0° |
| N2 | C22 | C23 | H23 | 152.3° | 142.5° |
| C22 | C23 | C24 | C10 | 121.7° | 110.7° |
| C22 | C23 | C24 | H23 | 118.7° | 123.8° |
| C22 | C23 | C24 | C25 | 133.1° | 150.8° |
| C23 | C22 | N2 | C11 | 42.1° | 0.7° |
| C22 | C23 | C10 | H23 | 114.3° | 120.4° |
| C22 | C23 | C10 | C11 | 20.9° | 35.2° |
| C22 | C23 | C10 | C27 | 142.9° | 152.6° |
| C22 | C23 | C10 | C9 | 92.8° | 84.0° |
| C23 | C22 | H21 | H22 | 124.4° | 121.2° |
| C22 | C23 | C24 | H24 | 106.2° | 89.0° |
| C22 | C23 | C24 | H25 | 12.3° | 30.7° |
| C23 | C24 | C25 | H24 | 120.8° | 120.1° |
| C23 | C24 | C25 | H25 | 120.8° | 120.1° |
| C24 | C23 | C10 | H23 | 119.7° | 125.5° |
| C23 | C24 | C25 | C26 | 49.3° | 70.1° |
| C23 | C24 | C25 | C28 | 45.1° | 24.1° |
| C24 | C23 | C10 | C11 | 105.1° | 78.9° |
| C24 | C23 | C10 | C27 | 16.9° | 38.6° |
| C24 | C23 | C10 | C9 | 141.2° | 161.9° |
| C24 | C23 | C22 | H21 | 152.7° | 25.9° |
| C24 | C23 | C22 | H22 | 29.6° | 147.1° |
| C23 | C24 | H24 | H25 | 117.6° | 119.8° |
| C23 | C24 | C25 | H26 | 178.2° | 158.0° |
| C25 | C24 | C23 | C10 | 11.3° | 40.1° |
| C24 | C25 | C26 | C28 | 111.8° | 111.8° |
| C24 | C25 | C26 | H26 | 132.9° | 131.2° |
| C24 | C25 | C28 | H26 | 133.5° | 133.0° |
| C24 | C25 | C26 | C27 | 80.6° | 81.1° |
| C24 | C25 | C28 | C27 | 80.0° | 80.5° |
| C24 | C25 | C28 | C30 | 40.8° | 33.8° |
| C24 | C25 | C28 | C29 | 168.6° | 165.7° |
| C25 | C24 | C23 | H23 | 108.2° | 85.3° |
| C25 | C24 | H24 | H25 | 117.6° | 119.7° |
| C24 | C25 | C26 | H28 | 163.9° | 164.9° |
| C24 | C25 | C26 | H27 | 35.0° | 33.0° |
| N2 | C11 | C10 | C23 | 4.5° | 36.5° |
| N2 | C11 | C10 | H9 | 119.3° | 118.8° |
| N2 | C11 | C10 | H10 | 119.3° | 118.9° |
| N2 | C11 | C10 | C27 | 115.2° | 153.6° |
| N2 | C11 | C10 | C9 | 124.1° | 82.7° |
| N2 | C11 | H9 | H10 | 122.0° | 122.4° |
| C11 | N2 | C22 | H21 | 76.3° | 118.8° |
| C11 | N2 | C22 | H22 | 160.6° | 120.1° |
| C12 | C13 | C14 | H11 | 180.0° | 180.0° |
| C13 | C12 | C21 | C20 | 0.6° | 0.1° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | H12 | 179.7° | 180.0° |
| C13 | C12 | C21 | H20 | 179.3° | 180.0° |
| C21 | C12 | C13 | C14 | 1.0° | 0.0° |
| C12 | C21 | C20 | H20 | 180.0° | 179.8° |
| C12 | C21 | C20 | C15 | 0.4° | 0.2° |
| C21 | C12 | C13 | H11 | 179.0° | 179.9° |
| C12 | C21 | C20 | H19 | 179.6° | 179.9° |
| C13 | C14 | C15 | H12 | 180.0° | 180.0° |
| C13 | C14 | C15 | C20 | 0.7° | 0.0° |
| C13 | C14 | C15 | C16 | 176.7° | 180.0° |
| C23 | C10 | C27 | C26 | 61.6° | 67.8° |
| C23 | C10 | C11 | C27 | 119.8° | 117.1° |
| C23 | C10 | C11 | C9 | 119.5° | 119.2° |
| C23 | C10 | C27 | C9 | 126.0° | 123.5° |
| C23 | C10 | C27 | C28 | 33.6° | 27.5° |
| C23 | C10 | C9 | C8 | 43.4° | 172.0° |
| C23 | C10 | C11 | H9 | 123.8° | 155.2° |
| C23 | C10 | C11 | H10 | 114.8° | 82.4° |
| C10 | C23 | C22 | H21 | 80.3° | 141.3° |
| C10 | C23 | C22 | H22 | 156.5° | 97.5° |
| C10 | C23 | C24 | H24 | 132.1° | 160.3° |
| C10 | C23 | C24 | H25 | 109.4° | 80.0° |
| C23 | C10 | C27 | H29 | 171.4° | 159.9° |
| C23 | C10 | C9 | H8 | 76.6° | 52.0° |
| C23 | C10 | C9 | H7 | 163.3° | 68.0° |
| C26 | C25 | C28 | H26 | 115.3° | 116.1° |
| C25 | C26 | C27 | H28 | 115.5° | 114.1° |
| C25 | C26 | C27 | H27 | 115.6° | 114.1° |
| C25 | C26 | C27 | C10 | 87.7° | 80.7° |
| C26 | C25 | C28 | C27 | 31.2° | 30.4° |
| C26 | C25 | C28 | C30 | 152.0° | 144.7° |
| C26 | C25 | C28 | C29 | 80.2° | 83.4° |
| C26 | C25 | C24 | H24 | 170.1° | 169.7° |
| C26 | C25 | C24 | H25 | 71.5° | 50.0° |
| C25 | C26 | H28 | H27 | 131.7° | 132.2° |
| C25 | C26 | C27 | H29 | 145.0° | 147.3° |
| C25 | C28 | C27 | C10 | 77.0° | 82.3° |
| C25 | C28 | C27 | C30 | 118.8° | 113.9° |
| C25 | C28 | C27 | C29 | 114.9° | 113.8° |
| C25 | C28 | C30 | C29 | 131.4° | 132.2° |
| C28 | C25 | C24 | H24 | 75.6° | 96.0° |
| C28 | C25 | C24 | H25 | 165.9° | 144.3° |
| C28 | C25 | C26 | H28 | 84.3° | 83.3° |
| C28 | C25 | C26 | H27 | 146.7° | 144.8° |
| C25 | C28 | C27 | H29 | 145.0° | 146.3° |
| C25 | C28 | C29 | H31 | 180.0° | 40.5° |
| C25 | C28 | C29 | H32 | 60.0° | 160.5° |
| C25 | C28 | C29 | H30 | 60.0° | 79.5° |
| C25 | C28 | C30 | H34 | 180.0° | 22.2° |
| C25 | C28 | C30 | H35 | 60.0° | 142.3° |
| C25 | C28 | C30 | H33 | 60.0° | 97.7° |
| C21 | C20 | C15 | C14 | 1.1° | 0.1° |
| C21 | C20 | C15 | H19 | 180.0° | 179.9° |
| C21 | C20 | C15 | C16 | 177.1° | 179.9° |
| C14 | C15 | C16 | C17 | 77.2° | 59.5° |
| C14 | C15 | C20 | C16 | 176.0° | 180.0° |
| C14 | C15 | C16 | C19 | 42.7° | 60.5° |
| C14 | C15 | C16 | C18 | 164.8° | 179.6° |
| C15 | C14 | C13 | H11 | 179.7° | 180.0° |
| C14 | C15 | C20 | H19 | 178.9° | 180.0° |
| C26 | C27 | C10 | C11 | 54.7° | 44.9° |
| C26 | C27 | C10 | C28 | 95.2° | 95.4° |
| C26 | C27 | C10 | H29 | 127.0° | 132.3° |
| C26 | C27 | C10 | C9 | 172.4° | 168.7° |
| C26 | C27 | C28 | H29 | 113.9° | 115.5° |
| C26 | C27 | C28 | C30 | 149.9° | 144.7° |
| C26 | C27 | C28 | C29 | 83.8° | 83.1° |
| C27 | C26 | C25 | H26 | 146.5° | 147.7° |
| C27 | C26 | H28 | H27 | 131.7° | 132.2° |
| C17 | C16 | C15 | C20 | 98.6° | 120.4° |
| C17 | C16 | C15 | C19 | 119.9° | 120.0° |
| C17 | C16 | C15 | C18 | 118.0° | 120.0° |
| C17 | C16 | C19 | C18 | 118.2° | 120.0° |
| C17 | C16 | C19 | O4 | 11.7° | 120.0° |
| C17 | C16 | C19 | O5 | 164.7° | 60.0° |
| C16 | C17 | H14 | H13 | 120.0° | 120.0° |
| C16 | C17 | H14 | H15 | 120.0° | 120.0° |
| C16 | C17 | H13 | H15 | 120.0° | 120.0° |
| C17 | C16 | C18 | H17 | 180.0° | 176.2° |
| C17 | C16 | C18 | H18 | 60.0° | 63.7° |
| C17 | C16 | C18 | H16 | 60.0° | 56.3° |
| C11 | C10 | C27 | C9 | 117.7° | 123.8° |
| C11 | C10 | C27 | C28 | 149.9° | 140.2° |
| C11 | C10 | C9 | C8 | 69.8° | 58.0° |
| C10 | C11 | H9 | H10 | 122.1° | 122.3° |
| C11 | C10 | C23 | H23 | 135.2° | 155.6° |
| C11 | C10 | C27 | H29 | 72.2° | 87.4° |
| C11 | C10 | C9 | H8 | 170.2° | 62.0° |
| C11 | C10 | C9 | H7 | 50.2° | 178.0° |
| C20 | C15 | C16 | C19 | 141.5° | 119.5° |
| C20 | C15 | C16 | C18 | 19.4° | 0.4° |
| C20 | C15 | C14 | H12 | 179.3° | 180.0° |
| C15 | C20 | C21 | H20 | 179.6° | 180.0° |
| C15 | C16 | C19 | C18 | 124.0° | 120.0° |
| C15 | C16 | C19 | O4 | 129.5° | 0.1° |
| C15 | C16 | C19 | O5 | 46.9° | 180.0° |
| C16 | C15 | C14 | H12 | 3.3° | 0.0° |
| C15 | C16 | C17 | H14 | 180.0° | 60.0° |
| C15 | C16 | C17 | H13 | 60.0° | 180.0° |
| C15 | C16 | C17 | H15 | 60.0° | 60.0° |
| C15 | C16 | C18 | H17 | 61.8° | 56.2° |
| C15 | C16 | C18 | H18 | 178.1° | 176.2° |
| C15 | C16 | C18 | H16 | 58.2° | 63.8° |
| C16 | C15 | C20 | H19 | 3.0° | 0.0° |
| C10 | C27 | C28 | H29 | 138.0° | 131.5° |
| C10 | C27 | C28 | C30 | 41.8° | 31.7° |
| C10 | C27 | C28 | C29 | 168.1° | 163.9° |
| C27 | C10 | C9 | C8 | 167.5° | 65.4° |
| C27 | C10 | C11 | H9 | 4.0° | 87.7° |
| C27 | C10 | C11 | H10 | 125.4° | 34.7° |
| C27 | C10 | C23 | H23 | 102.8° | 86.9° |
| C10 | C27 | C26 | H28 | 156.7° | 165.2° |
| C10 | C27 | C26 | H27 | 27.8° | 33.4° |
| C27 | C10 | C9 | H8 | 47.5° | 174.6° |
| C27 | C10 | C9 | H7 | 72.5° | 54.6° |
| C9 | C10 | C27 | C28 | 92.4° | 95.9° |
| C10 | C9 | C8 | H8 | 120.0° | 120.0° |
| C10 | C9 | C8 | H7 | 120.0° | 120.0° |
| C10 | C9 | C8 | C7 | 155.1° | 178.1° |
| C9 | C10 | C11 | H9 | 116.6° | 36.1° |
| C9 | C10 | C11 | H10 | 4.8° | 158.4° |
| C9 | C10 | C23 | H23 | 21.5° | 36.5° |
| C9 | C10 | C27 | H29 | 45.4° | 36.4° |
| C10 | C9 | C8 | H6 | 34.2° | 61.9° |
| C10 | C9 | C8 | H5 | 84.1° | 58.1° |
| C10 | C9 | H8 | H7 | 120.1° | 120.0° |
| C27 | C28 | C30 | C29 | 128.2° | 132.6° |
| C27 | C28 | C25 | H26 | 146.5° | 146.6° |
| C28 | C27 | C26 | H28 | 84.4° | 83.3° |
| C28 | C27 | C26 | H27 | 146.7° | 144.8° |
| C27 | C28 | C29 | H31 | 85.4° | 54.5° |
| C27 | C28 | C29 | H32 | 154.6° | 65.5° |
| C27 | C28 | C29 | H30 | 34.6° | 174.5° |
| C27 | C28 | C30 | H34 | 79.6° | 117.4° |
| C27 | C28 | C30 | H35 | 40.4° | 122.5° |
| C27 | C28 | C30 | H33 | 160.4° | 2.5° |
| C30 | C28 | C25 | H26 | 92.8° | 99.2° |
| C30 | C28 | C27 | H29 | 96.2° | 99.8° |
| C30 | C28 | C29 | H31 | 47.3° | 172.8° |
| C30 | C28 | C29 | H32 | 72.7° | 67.3° |
| C30 | C28 | C29 | H30 | 167.2° | 52.7° |
| C28 | C30 | H34 | H35 | 120.0° | 120.1° |
| C28 | C30 | H34 | H33 | 120.0° | 120.0° |
| C28 | C30 | H35 | H33 | 120.0° | 120.0° |
| C29 | C28 | C25 | H26 | 35.1° | 32.7° |
| C29 | C28 | C27 | H29 | 30.1° | 32.4° |
| C28 | C29 | H31 | H32 | 120.0° | 120.0° |
| C28 | C29 | H31 | H30 | 120.0° | 120.0° |
| C28 | C29 | H32 | H30 | 120.0° | 120.0° |
| C29 | C28 | C30 | H34 | 48.6° | 110.0° |
| C29 | C28 | C30 | H35 | 168.6° | 10.1° |
| C29 | C28 | C30 | H33 | 71.4° | 130.1° |
| C16 | C19 | O4 | O5 | 176.3° | 179.9° |
| C19 | C16 | C17 | H14 | 61.4° | 180.0° |
| C19 | C16 | C17 | H13 | 58.6° | 59.9° |
| C19 | C16 | C17 | H15 | 178.6° | 60.0° |
| C19 | C16 | C18 | H17 | 59.6° | 63.8° |
| C19 | C16 | C18 | H18 | 60.4° | 56.3° |
| C19 | C16 | C18 | H16 | 179.6° | 176.2° |
| C16 | C19 | O5 | H38 | 176.5° | 180.0° |
| C18 | C16 | C19 | O4 | 106.5° | 120.1° |
| C18 | C16 | C19 | O5 | 77.1° | 60.0° |
| C18 | C16 | C17 | H14 | 58.3° | 60.0° |
| C18 | C16 | C17 | H13 | 178.3° | 60.0° |
| C18 | C16 | C17 | H15 | 61.7° | 180.0° |
| C16 | C18 | H17 | H18 | 120.0° | 120.1° |
| C16 | C18 | H17 | H16 | 120.0° | 120.0° |
| C16 | C18 | H18 | H16 | 120.0° | 120.0° |
| C9 | C8 | C7 | H6 | 120.8° | 120.0° |
| C9 | C8 | C7 | H5 | 120.8° | 120.0° |
| C9 | C8 | C7 | N1 | 173.0° | 174.6° |
| C9 | C8 | C7 | O1 | 7.6° | 5.3° |
| C9 | C8 | H6 | H5 | 117.4° | 120.0° |
| C8 | C9 | H8 | H7 | 120.1° | 120.0° |
| C8 | C7 | N1 | C6 | 169.6° | 175.7° |
| C8 | C7 | N1 | O1 | 179.4° | 179.9° |
| C7 | C8 | H6 | H5 | 117.5° | 120.0° |
| C7 | C8 | C9 | H8 | 85.0° | 61.9° |
| C7 | C8 | C9 | H7 | 35.1° | 58.1° |
| C8 | C7 | N1 | H4 | 10.4° | 4.2° |
| C32 | C31 | C6 | H36 | 180.0° | 179.9° |
| C32 | C31 | C6 | N1 | 179.7° | 180.0° |
| C31 | C32 | C3 | H37 | 180.0° | 179.9° |
| C32 | C31 | C6 | C5 | 0.9° | 0.3° |
| C31 | C32 | C3 | C2 | 179.9° | 180.0° |
| C31 | C32 | C3 | C4 | 1.0° | 0.3° |
| C31 | C6 | N1 | C5 | 179.4° | 179.7° |
| C31 | C6 | N1 | C7 | 162.4° | 146.2° |
| C6 | C31 | C32 | C3 | 0.3° | 0.1° |
| C31 | C6 | C5 | C4 | 0.1° | 0.3° |
| C6 | C31 | C32 | H37 | 179.7° | 180.0° |
| C31 | C6 | C5 | H3 | 179.8° | 179.7° |
| C31 | C6 | N1 | H4 | 17.6° | 33.8° |
| C6 | N1 | C7 | H4 | 180.0° | 179.9° |
| C6 | N1 | C7 | O1 | 9.8° | 4.4° |
| N1 | C6 | C5 | C4 | 179.5° | 180.0° |
| N1 | C6 | C31 | H36 | 0.3° | 0.0° |
| N1 | C6 | C5 | H3 | 0.4° | 0.0° |
| C7 | N1 | C6 | C5 | 18.2° | 34.1° |
| N1 | C7 | C8 | H6 | 52.2° | 54.6° |
| N1 | C7 | C8 | H5 | 66.1° | 65.4° |
| O4 | C19 | O5 | H38 | 0.0° | 0.1° |
| C32 | C3 | C2 | C4 | 179.1° | 179.6° |
| C32 | C3 | C4 | C5 | 1.8° | 0.3° |
| C32 | C3 | C2 | C1 | 133.1° | 136.5° |
| C3 | C32 | C31 | H36 | 179.7° | 180.0° |
| C32 | C3 | C4 | H2 | 178.2° | 179.7° |
| C6 | C5 | C4 | C3 | 1.2° | 0.0° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C5 | C6 | C31 | H36 | 179.1° | 179.7° |
| C6 | C5 | C4 | H2 | 178.8° | 180.0° |
| C5 | C6 | N1 | H4 | 161.8° | 145.9° |
| O1 | C7 | C8 | H6 | 128.4° | 125.3° |
| O1 | C7 | C8 | H5 | 113.3° | 114.7° |
| O1 | C7 | N1 | H4 | 170.2° | 175.7° |
| C2 | C3 | C4 | C5 | 179.1° | 180.0° |
| C3 | C2 | C1 | H1 | 82.7° | 125.9° |
| C2 | C3 | C32 | H37 | 0.1° | 0.1° |
| C2 | C3 | C4 | H2 | 0.9° | 0.0° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 47.8° | 43.8° |
| C4 | C3 | C32 | H37 | 179.0° | 179.7° |
| C3 | C4 | C5 | H3 | 178.8° | 180.0° |
| H11 | C13 | C14 | H12 | 0.3° | 0.0° |
| H14 | C17 | H13 | H15 | 120.0° | 120.0° |
| H17 | C18 | H18 | H16 | 120.0° | 119.9° |
| H19 | C20 | C21 | H20 | 0.4° | 0.1° |
| H21 | C22 | C23 | H23 | 33.9° | 98.1° |
| H22 | C22 | C23 | H23 | 89.3° | 23.1° |
| H23 | C23 | C24 | H24 | 12.6° | 34.8° |
| H23 | C23 | C24 | H25 | 131.1° | 154.6° |
| H24 | C24 | C25 | H26 | 57.5° | 37.9° |
| H25 | C24 | C25 | H26 | 61.0° | 81.8° |
| H26 | C25 | C26 | H28 | 31.0° | 33.6° |
| H26 | C25 | C26 | H27 | 98.0° | 98.2° |
| H28 | C26 | C27 | H29 | 29.4° | 33.2° |
| H27 | C26 | C27 | H29 | 99.5° | 98.6° |
| H31 | C29 | H32 | H30 | 120.0° | 120.0° |
| H34 | C30 | H35 | H33 | 120.0° | 119.9° |
| H36 | C31 | C32 | H37 | 0.3° | 0.1° |
| H2 | C4 | C5 | H3 | 1.2° | 0.0° |
| H6 | C8 | C9 | H8 | 154.2° | 58.1° |
| H6 | C8 | C9 | H7 | 85.7° | 178.0° |
| H5 | C8 | C9 | H8 | 35.8° | 178.1° |
| H5 | C8 | C9 | H7 | 155.9° | 61.9° |
