A1JLA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | S1 | doub | 1.42Å | 1.43Å | |
| C21 | C20 | sing | 1.51Å | 1.53Å | |
| S1 | O4 | doub | 1.42Å | 1.43Å | |
| S1 | C11 | sing | 1.76Å | 1.76Å | |
| S1 | N2 | sing | 1.66Å | 1.63Å | |
| C22 | N2 | sing | 1.47Å | 1.48Å | |
| C22 | C23 | sing | 1.55Å | 1.54Å | |
| C20 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C10 | sing | 1.47Å | 1.49Å | |
| C19 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.54Å | 1.55Å | |
| C25 | C28 | sing | 1.54Å | 1.56Å | |
| C23 | C9 | sing | 1.55Å | 1.55Å | |
| C26 | C27 | sing | 1.54Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| O6 | C18 | doub | 1.21Å | 1.24Å | |
| C10 | C9 | sing | 1.54Å | 1.54Å | |
| C9 | C27 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C28 | C30 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.54Å | 1.57Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C15 | C18 | sing | 1.51Å | 1.54Å | |
| C15 | C17 | sing | 1.53Å | 1.55Å | |
| C18 | O5 | sing | 1.34Å | 1.25Å | |
| O2 | C8 | sing | 1.45Å | 1.45Å | |
| O2 | C7 | sing | 1.35Å | 1.34Å | |
| C5 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | C6 | sing | 1.40Å | 1.41Å | |
| N1 | C7 | sing | 1.35Å | 1.35Å | |
| C4 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | O1 | doub | 1.21Å | 1.21Å | |
| C3 | C2 | sing | 1.43Å | 1.45Å | |
| C3 | C32 | doub | 1.40Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | trip | 1.17Å | 1.17Å | |
| C1 | H1 | sing | 1.05Å | 1.06Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | 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 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | 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 | |
| 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) |
| O3 | S1 | O4 | 119.7° | 123.2° |
| O3 | S1 | C11 | 109.1° | 106.4° |
| O3 | S1 | N2 | 107.0° | 106.4° |
| C21 | C20 | C11 | 122.0° | 120.0° |
| C21 | C20 | C19 | 120.3° | 120.0° |
| C20 | C21 | H18 | 109.5° | 109.5° |
| C20 | C21 | H19 | 109.4° | 109.5° |
| C20 | C21 | H20 | 109.5° | 109.5° |
| O4 | S1 | C11 | 108.8° | 106.4° |
| O4 | S1 | N2 | 107.9° | 106.4° |
| C11 | S1 | N2 | 103.0° | 107.2° |
| S1 | C11 | C20 | 121.2° | 120.0° |
| S1 | C11 | C12 | 118.0° | 120.0° |
| S1 | N2 | C22 | 123.4° | 125.7° |
| S1 | N2 | C10 | 121.9° | 125.7° |
| N2 | C22 | C23 | 105.1° | 105.0° |
| C22 | N2 | C10 | 112.6° | 108.6° |
| N2 | C22 | H21 | 110.5° | 110.3° |
| N2 | C22 | H22 | 110.5° | 110.4° |
| C22 | C23 | C24 | 109.4° | 107.6° |
| C22 | C23 | C9 | 108.1° | 101.3° |
| C23 | C22 | H21 | 110.5° | 110.3° |
| C23 | C22 | H22 | 110.5° | 110.3° |
| C22 | C23 | H23 | 107.7° | 112.5° |
| C11 | C20 | C19 | 117.6° | 120.0° |
| C20 | C11 | C12 | 120.8° | 120.0° |
| C20 | C19 | C14 | 122.7° | 120.0° |
| C20 | C19 | H17 | 118.7° | 120.0° |
| C25 | C24 | C23 | 114.0° | 109.7° |
| C24 | C25 | C26 | 110.1° | 110.9° |
| C24 | C25 | C28 | 111.5° | 111.7° |
| C25 | C24 | H25 | 108.3° | 109.5° |
| C25 | C24 | H24 | 108.3° | 109.5° |
| C24 | C25 | H26 | 115.4° | 114.0° |
| C24 | C23 | C9 | 115.9° | 109.6° |
| C24 | C23 | H23 | 107.9° | 112.8° |
| C23 | C24 | H25 | 108.3° | 109.4° |
| C23 | C24 | H24 | 108.3° | 109.4° |
| C11 | C12 | C13 | 119.4° | 120.0° |
| C11 | C12 | H9 | 120.3° | 120.0° |
| N2 | C10 | C9 | 106.3° | 107.2° |
| N2 | C10 | H7 | 110.3° | 109.8° |
| N2 | C10 | H8 | 110.3° | 110.0° |
| C19 | C14 | C13 | 117.2° | 120.0° |
| C19 | C14 | C15 | 121.3° | 120.0° |
| C14 | C19 | H17 | 118.7° | 120.0° |
| C26 | C25 | C28 | 87.0° | 86.1° |
| C25 | C26 | C27 | 85.5° | 85.3° |
| C26 | C25 | H26 | 114.8° | 115.1° |
| C25 | C26 | H28 | 115.1° | 113.9° |
| C25 | C26 | H27 | 115.1° | 113.9° |
| C25 | C28 | C30 | 114.8° | 113.9° |
| C25 | C28 | C27 | 85.0° | 85.2° |
| C25 | C28 | C29 | 112.4° | 113.9° |
| C28 | C25 | H26 | 114.7° | 116.0° |
| C23 | C9 | C10 | 105.6° | 103.6° |
| C23 | C9 | C27 | 110.5° | 109.6° |
| C23 | C9 | C8 | 111.2° | 110.8° |
| C9 | C23 | H23 | 107.6° | 112.4° |
| C26 | C27 | C9 | 109.7° | 112.4° |
| C26 | C27 | C28 | 86.4° | 86.1° |
| C27 | C26 | H28 | 115.1° | 113.9° |
| C27 | C26 | H27 | 115.1° | 113.9° |
| C26 | C27 | H29 | 114.0° | 114.8° |
| C16 | C15 | C14 | 109.0° | 109.4° |
| C16 | C15 | C18 | 107.1° | 109.5° |
| C16 | C15 | C17 | 108.7° | 109.5° |
| C15 | C16 | H13 | 109.5° | 109.5° |
| C15 | C16 | H11 | 109.5° | 109.5° |
| C15 | C16 | H12 | 109.5° | 109.5° |
| C12 | C13 | C14 | 122.2° | 120.0° |
| C13 | C12 | H9 | 120.3° | 120.0° |
| C12 | C13 | H10 | 118.9° | 120.0° |
| C13 | C14 | C15 | 121.4° | 120.0° |
| C14 | C13 | H10 | 118.9° | 120.0° |
| C14 | C15 | C18 | 110.7° | 109.5° |
| C14 | C15 | C17 | 111.7° | 109.5° |
| O6 | C18 | C15 | 119.1° | 120.0° |
| O6 | C18 | O5 | 118.5° | 120.0° |
| C10 | C9 | C27 | 110.6° | 110.5° |
| C10 | C9 | C8 | 109.0° | 110.9° |
| C9 | C10 | H7 | 110.3° | 109.9° |
| C9 | C10 | H8 | 110.2° | 109.9° |
| C27 | C9 | C8 | 110.0° | 111.3° |
| C9 | C27 | C28 | 115.4° | 111.1° |
| C9 | C27 | H29 | 114.4° | 114.4° |
| C9 | C8 | O2 | 107.0° | 109.5° |
| C9 | C8 | H6 | 110.1° | 109.5° |
| C9 | C8 | H5 | 110.1° | 109.4° |
| C30 | C28 | C27 | 122.4° | 113.9° |
| C30 | C28 | C29 | 107.4° | 113.1° |
| C28 | C30 | H35 | 109.5° | 109.5° |
| C28 | C30 | H33 | 109.5° | 109.4° |
| C28 | C30 | H34 | 109.5° | 109.5° |
| C27 | C28 | C29 | 113.4° | 114.1° |
| C28 | C27 | H29 | 113.8° | 114.9° |
| C28 | C29 | H30 | 109.5° | 109.5° |
| C28 | C29 | H31 | 109.5° | 109.5° |
| C28 | C29 | H32 | 109.5° | 109.5° |
| C18 | C15 | C17 | 109.4° | 109.5° |
| C15 | C18 | O5 | 122.4° | 120.0° |
| C15 | C17 | H15 | 109.5° | 109.5° |
| C15 | C17 | H16 | 109.5° | 109.5° |
| C15 | C17 | H14 | 109.5° | 109.5° |
| C18 | O5 | H38 | 109.5° | 117.0° |
| C8 | O2 | C7 | 115.9° | 117.0° |
| O2 | C8 | H6 | 110.1° | 109.5° |
| O2 | C8 | H5 | 110.1° | 109.5° |
| O2 | C7 | N1 | 108.3° | 120.0° |
| O2 | C7 | O1 | 125.1° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.1° |
| C5 | C4 | C3 | 120.6° | 119.9° |
| C5 | C4 | H2 | 119.7° | 120.0° |
| C4 | C5 | H3 | 119.9° | 120.0° |
| C5 | C6 | N1 | 118.3° | 120.0° |
| C5 | C6 | C31 | 119.7° | 120.1° |
| C6 | C5 | H3 | 119.9° | 119.9° |
| C6 | N1 | C7 | 128.1° | 120.0° |
| N1 | C6 | C31 | 122.0° | 119.9° |
| C6 | N1 | H4 | 115.9° | 120.0° |
| N1 | C7 | O1 | 126.6° | 120.0° |
| C7 | N1 | H4 | 115.9° | 120.0° |
| C4 | C3 | C2 | 121.3° | 120.0° |
| C4 | C3 | C32 | 118.6° | 119.9° |
| C3 | C4 | H2 | 119.7° | 120.1° |
| C6 | C31 | C32 | 119.5° | 120.1° |
| C6 | C31 | H36 | 120.2° | 119.9° |
| C2 | C3 | C32 | 120.0° | 120.1° |
| C3 | C2 | C1 | 175.2° | 180.0° |
| C3 | C32 | C31 | 121.3° | 120.0° |
| C3 | C32 | H37 | 119.3° | 120.0° |
| C32 | C31 | H36 | 120.2° | 120.0° |
| C31 | C32 | H37 | 119.3° | 120.0° |
| C2 | C1 | H1 | 180.0° | 180.0° |
| H7 | C10 | H8 | 109.4° | 109.9° |
| H13 | C16 | H11 | 109.5° | 109.4° |
| H13 | C16 | H12 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H15 | C17 | H14 | 109.5° | 109.5° |
| H16 | C17 | H14 | 109.4° | 109.4° |
| H18 | C21 | H19 | 109.5° | 109.4° |
| H18 | C21 | H20 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.5° | 110.4° |
| H25 | C24 | H24 | 109.5° | 109.4° |
| H28 | C26 | H27 | 109.5° | 113.2° |
| H30 | C29 | H31 | 109.4° | 109.4° |
| H30 | C29 | H32 | 109.5° | 109.5° |
| H31 | C29 | H32 | 109.5° | 109.5° |
| H35 | C30 | H33 | 109.5° | 109.4° |
| H35 | C30 | H34 | 109.4° | 109.5° |
| H33 | C30 | H34 | 109.5° | 109.5° |
| H6 | C8 | H5 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | S1 | O4 | C11 | 126.4° | 123.0° |
| O3 | S1 | O4 | N2 | 122.6° | 122.9° |
| O3 | S1 | C11 | N2 | 113.4° | 113.5° |
| O3 | S1 | N2 | C22 | 4.2° | 16.9° |
| O3 | S1 | C11 | C20 | 61.6° | 49.2° |
| O3 | S1 | C11 | C12 | 116.1° | 130.5° |
| O3 | S1 | N2 | C10 | 158.0° | 163.1° |
| C21 | C20 | C11 | S1 | 2.5° | 0.3° |
| C21 | C20 | C11 | C19 | 177.4° | 180.0° |
| C21 | C20 | C11 | C12 | 179.8° | 180.0° |
| C21 | C20 | C19 | C14 | 178.9° | 180.0° |
| C21 | C20 | C19 | H17 | 1.2° | 0.1° |
| C20 | C21 | H18 | H19 | 120.0° | 120.0° |
| C20 | C21 | H18 | H20 | 120.0° | 120.0° |
| C20 | C21 | H19 | H20 | 120.0° | 120.0° |
| O4 | S1 | C11 | N2 | 114.3° | 113.5° |
| O4 | S1 | N2 | C22 | 134.3° | 149.9° |
| O4 | S1 | C11 | C20 | 70.7° | 177.8° |
| O4 | S1 | C11 | C12 | 111.6° | 2.5° |
| O4 | S1 | N2 | C10 | 28.0° | 30.2° |
| C11 | S1 | N2 | C22 | 110.7° | 96.6° |
| S1 | C11 | C20 | C12 | 177.6° | 179.7° |
| S1 | C11 | C20 | C19 | 179.9° | 179.7° |
| C11 | S1 | N2 | C10 | 87.0° | 83.4° |
| S1 | C11 | C12 | C13 | 178.3° | 179.7° |
| S1 | C11 | C12 | H9 | 1.7° | 0.3° |
| S1 | N2 | C22 | C10 | 163.7° | 180.0° |
| S1 | N2 | C22 | C23 | 158.1° | 155.8° |
| N2 | S1 | C11 | C20 | 175.0° | 64.3° |
| N2 | S1 | C11 | C12 | 2.7° | 116.0° |
| S1 | N2 | C10 | C9 | 168.0° | 178.5° |
| S1 | N2 | C10 | H7 | 48.4° | 62.1° |
| S1 | N2 | C10 | H8 | 72.5° | 59.0° |
| S1 | N2 | C22 | H21 | 82.6° | 37.0° |
| S1 | N2 | C22 | H22 | 38.8° | 85.3° |
| N2 | C22 | C23 | H21 | 119.3° | 118.8° |
| N2 | C22 | C23 | H22 | 119.3° | 118.9° |
| N2 | C22 | C23 | C24 | 114.0° | 78.3° |
| N2 | C22 | C23 | C9 | 13.0° | 36.6° |
| C22 | N2 | C10 | C9 | 4.0° | 1.5° |
| C22 | N2 | C10 | H7 | 115.6° | 117.8° |
| C22 | N2 | C10 | H8 | 123.5° | 121.1° |
| N2 | C22 | H21 | H22 | 122.0° | 122.3° |
| N2 | C22 | C23 | H23 | 128.9° | 156.9° |
| C22 | C23 | C24 | C25 | 132.1° | 150.1° |
| C22 | C23 | C24 | C9 | 122.5° | 109.4° |
| C22 | C23 | C24 | H23 | 117.0° | 124.7° |
| C23 | C22 | N2 | C10 | 5.6° | 24.2° |
| C22 | C23 | C9 | H23 | 116.0° | 120.3° |
| C22 | C23 | C9 | C10 | 15.4° | 35.0° |
| C22 | C23 | C9 | C27 | 135.0° | 152.9° |
| C22 | C23 | C9 | C8 | 102.6° | 84.0° |
| C23 | C22 | H21 | H22 | 122.0° | 122.2° |
| C22 | C23 | C24 | H25 | 11.4° | 89.8° |
| C22 | C23 | C24 | H24 | 107.2° | 30.0° |
| C11 | C20 | C19 | C14 | 1.4° | 0.0° |
| C20 | C11 | C12 | C13 | 0.6° | 0.0° |
| C20 | C11 | C12 | H9 | 179.4° | 180.0° |
| C11 | C20 | C19 | H17 | 178.6° | 179.9° |
| C11 | C20 | C21 | H18 | 91.4° | 94.6° |
| C11 | C20 | C21 | H19 | 148.6° | 145.5° |
| C11 | C20 | C21 | H20 | 28.6° | 25.5° |
| C19 | C20 | C11 | C12 | 2.5° | 0.0° |
| C20 | C19 | C14 | H17 | 180.0° | 180.0° |
| C20 | C19 | C14 | C13 | 1.4° | 0.1° |
| C20 | C19 | C14 | C15 | 178.0° | 180.0° |
| C19 | C20 | C21 | H18 | 91.3° | 85.4° |
| C19 | C20 | C21 | H19 | 28.7° | 34.5° |
| C19 | C20 | C21 | H20 | 148.7° | 154.6° |
| C25 | C24 | C23 | H25 | 120.7° | 120.1° |
| C25 | C24 | C23 | H24 | 120.7° | 120.1° |
| C24 | C25 | C26 | C28 | 111.9° | 111.8° |
| C24 | C25 | C26 | H26 | 132.2° | 131.3° |
| C24 | C25 | C28 | H26 | 133.5° | 132.9° |
| C25 | C24 | C23 | C9 | 9.6° | 40.8° |
| C24 | C25 | C26 | C27 | 82.1° | 81.0° |
| C24 | C25 | C28 | C30 | 42.6° | 33.7° |
| C24 | C25 | C28 | C27 | 80.9° | 80.3° |
| C24 | C25 | C28 | C29 | 165.8° | 165.5° |
| C25 | C24 | C23 | H23 | 110.9° | 85.2° |
| C25 | C24 | H25 | H24 | 117.9° | 119.9° |
| C24 | C25 | C26 | H28 | 162.3° | 164.9° |
| C24 | C25 | C26 | H27 | 33.6° | 33.0° |
| C23 | C24 | C25 | C26 | 50.8° | 70.4° |
| C23 | C24 | C25 | C28 | 44.0° | 23.8° |
| C24 | C23 | C9 | H23 | 120.8° | 126.2° |
| C24 | C23 | C9 | C10 | 107.8° | 78.5° |
| C24 | C23 | C9 | C27 | 11.8° | 39.4° |
| C24 | C23 | C9 | C8 | 134.2° | 162.6° |
| C24 | C23 | C22 | H21 | 126.7° | 40.5° |
| C24 | C23 | C22 | H22 | 5.3° | 162.8° |
| C23 | C24 | H25 | H24 | 117.9° | 119.8° |
| C23 | C24 | C25 | H26 | 177.2° | 157.7° |
| C11 | C12 | C13 | H9 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 2.4° | 0.0° |
| C11 | C12 | C13 | H10 | 177.6° | 180.0° |
| N2 | C10 | C9 | C23 | 11.8° | 21.7° |
| N2 | C10 | C9 | H7 | 119.5° | 119.3° |
| N2 | C10 | C9 | H8 | 119.5° | 119.6° |
| N2 | C10 | C9 | C27 | 131.3° | 138.9° |
| N2 | C10 | C9 | C8 | 107.7° | 97.2° |
| N2 | C10 | H7 | H8 | 121.5° | 121.2° |
| C10 | N2 | C22 | H21 | 113.7° | 143.1° |
| C10 | N2 | C22 | H22 | 124.9° | 94.6° |
| C19 | C14 | C15 | C16 | 75.3° | 60.0° |
| C19 | C14 | C13 | C12 | 3.4° | 0.1° |
| C19 | C14 | C13 | C15 | 176.6° | 179.9° |
| C19 | C14 | C15 | C18 | 42.3° | 60.0° |
| C19 | C14 | C15 | C17 | 164.6° | 180.0° |
| C19 | C14 | C13 | H10 | 176.6° | 180.0° |
| C26 | C25 | C28 | H26 | 116.0° | 116.1° |
| C25 | C26 | C27 | H28 | 115.7° | 114.1° |
| C25 | C26 | C27 | H27 | 115.6° | 114.1° |
| C25 | C26 | C27 | C9 | 86.2° | 80.6° |
| C26 | C25 | C28 | C30 | 153.1° | 144.7° |
| C26 | C25 | C28 | C27 | 29.6° | 30.7° |
| C26 | C25 | C28 | C29 | 83.8° | 83.6° |
| C26 | C25 | C24 | H25 | 69.8° | 169.5° |
| C26 | C25 | C24 | H24 | 171.5° | 49.7° |
| C25 | C26 | H28 | H27 | 131.4° | 132.2° |
| C25 | C26 | C27 | H29 | 144.1° | 146.4° |
| C25 | C28 | C27 | C9 | 80.7° | 81.8° |
| C25 | C28 | C30 | C27 | 100.4° | 95.5° |
| C25 | C28 | C30 | C29 | 125.8° | 132.2° |
| C25 | C28 | C27 | C29 | 112.3° | 114.1° |
| C28 | C25 | C24 | H25 | 164.7° | 96.2° |
| C28 | C25 | C24 | H24 | 76.6° | 143.9° |
| C28 | C25 | C26 | H28 | 85.9° | 83.3° |
| C28 | C25 | C26 | H27 | 145.4° | 144.8° |
| C25 | C28 | C27 | H29 | 144.2° | 146.3° |
| C25 | C28 | C29 | H30 | 180.0° | 40.5° |
| C25 | C28 | C29 | H31 | 60.0° | 160.4° |
| C25 | C28 | C29 | H32 | 60.0° | 79.5° |
| C25 | C28 | C30 | H35 | 180.0° | 22.9° |
| C25 | C28 | C30 | H33 | 60.0° | 142.8° |
| C25 | C28 | C30 | H34 | 60.0° | 97.1° |
| C23 | C9 | C27 | C26 | 56.0° | 67.9° |
| C23 | C9 | C10 | C27 | 119.5° | 117.2° |
| C23 | C9 | C10 | C8 | 119.5° | 118.9° |
| C23 | C9 | C27 | C8 | 123.1° | 122.9° |
| C23 | C9 | C27 | C28 | 39.5° | 26.7° |
| C23 | C9 | C8 | O2 | 51.2° | 55.2° |
| C23 | C9 | C10 | H7 | 107.8° | 141.0° |
| C23 | C9 | C10 | H8 | 131.3° | 97.9° |
| C9 | C23 | C22 | H21 | 106.3° | 155.5° |
| C9 | C23 | C22 | H22 | 132.3° | 82.3° |
| C9 | C23 | C24 | H25 | 111.0° | 160.9° |
| C9 | C23 | C24 | H24 | 130.3° | 79.3° |
| C23 | C9 | C27 | H29 | 174.4° | 158.8° |
| C23 | C9 | C8 | H6 | 68.5° | 64.9° |
| C23 | C9 | C8 | H5 | 170.8° | 175.2° |
| C26 | C27 | C9 | C10 | 60.5° | 45.5° |
| C26 | C27 | C9 | C28 | 95.5° | 94.6° |
| C26 | C27 | C9 | H29 | 129.6° | 133.3° |
| C26 | C27 | C9 | C8 | 179.1° | 169.2° |
| C26 | C27 | C28 | C30 | 145.8° | 144.8° |
| C26 | C27 | C28 | H29 | 114.7° | 115.6° |
| C26 | C27 | C28 | C29 | 82.8° | 83.4° |
| C27 | C26 | C25 | H26 | 145.7° | 147.7° |
| C27 | C26 | H28 | H27 | 131.4° | 132.1° |
| C16 | C15 | C14 | C13 | 101.2° | 120.1° |
| C16 | C15 | C14 | C18 | 117.6° | 120.0° |
| C16 | C15 | C14 | C17 | 120.2° | 120.0° |
| C16 | C15 | C18 | O6 | 6.4° | 119.9° |
| C16 | C15 | C18 | C17 | 117.7° | 120.1° |
| C16 | C15 | C18 | O5 | 173.8° | 60.0° |
| C15 | C16 | H13 | H11 | 120.0° | 120.0° |
| C15 | C16 | H13 | H12 | 120.0° | 120.1° |
| C15 | C16 | H11 | H12 | 120.0° | 120.1° |
| C16 | C15 | C17 | H15 | 180.0° | 180.0° |
| C16 | C15 | C17 | H16 | 60.0° | 60.0° |
| C16 | C15 | C17 | H14 | 60.0° | 60.0° |
| C12 | C13 | C14 | H10 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 180.0° | 180.0° |
| C13 | C14 | C15 | C18 | 141.2° | 120.0° |
| C13 | C14 | C15 | C17 | 19.0° | 0.0° |
| C14 | C13 | C12 | H9 | 177.6° | 179.9° |
| C13 | C14 | C19 | H17 | 178.6° | 179.9° |
| C14 | C15 | C18 | O6 | 112.3° | 0.0° |
| C14 | C15 | C18 | C17 | 123.5° | 120.0° |
| C14 | C15 | C18 | O5 | 67.4° | 180.0° |
| C15 | C14 | C13 | H10 | 0.1° | 0.0° |
| C14 | C15 | C16 | H13 | 180.0° | 60.1° |
| C14 | C15 | C16 | H11 | 60.0° | 180.0° |
| C14 | C15 | C16 | H12 | 60.0° | 60.0° |
| C14 | C15 | C17 | H15 | 59.6° | 60.0° |
| C14 | C15 | C17 | H16 | 179.6° | 180.0° |
| C14 | C15 | C17 | H14 | 60.4° | 60.0° |
| C15 | C14 | C19 | H17 | 2.0° | 0.1° |
| O6 | C18 | C15 | O5 | 179.7° | 179.9° |
| O6 | C18 | C15 | C17 | 124.1° | 120.0° |
| O6 | C18 | O5 | H38 | 0.0° | 0.1° |
| C10 | C9 | C27 | C8 | 120.4° | 123.6° |
| C10 | C9 | C27 | C28 | 156.0° | 140.1° |
| C10 | C9 | C8 | O2 | 64.8° | 59.3° |
| C9 | C10 | H7 | H8 | 121.4° | 121.1° |
| C10 | C9 | C23 | H23 | 131.5° | 155.3° |
| C10 | C9 | C27 | H29 | 69.1° | 87.7° |
| C10 | C9 | C8 | H6 | 175.6° | 179.3° |
| C10 | C9 | C8 | H5 | 54.8° | 60.7° |
| C9 | C27 | C28 | C30 | 35.6° | 32.2° |
| C9 | C27 | C28 | H29 | 135.1° | 131.9° |
| C9 | C27 | C28 | C29 | 167.0° | 164.1° |
| C27 | C9 | C8 | O2 | 173.9° | 177.3° |
| C27 | C9 | C10 | H7 | 11.8° | 101.7° |
| C27 | C9 | C10 | H8 | 109.2° | 19.3° |
| C27 | C9 | C23 | H23 | 109.0° | 86.8° |
| C9 | C27 | C26 | H28 | 158.2° | 165.3° |
| C9 | C27 | C26 | H27 | 29.5° | 33.5° |
| C27 | C9 | C8 | H6 | 54.2° | 57.3° |
| C27 | C9 | C8 | H5 | 66.5° | 62.6° |
| C8 | C9 | C27 | C28 | 83.6° | 96.2° |
| C9 | C8 | O2 | H6 | 119.6° | 120.0° |
| C9 | C8 | O2 | H5 | 119.6° | 120.0° |
| C9 | C8 | O2 | C7 | 150.7° | 180.0° |
| C8 | C9 | C10 | H7 | 132.8° | 22.1° |
| C8 | C9 | C10 | H8 | 11.8° | 143.2° |
| C8 | C9 | C23 | H23 | 13.4° | 36.4° |
| C8 | C9 | C27 | H29 | 51.3° | 35.9° |
| C9 | C8 | H6 | H5 | 121.1° | 120.0° |
| C30 | C28 | C27 | C29 | 131.4° | 131.9° |
| C30 | C28 | C25 | H26 | 90.9° | 99.2° |
| C30 | C28 | C27 | H29 | 99.5° | 99.7° |
| C30 | C28 | C29 | H30 | 52.8° | 172.6° |
| C30 | C28 | C29 | H31 | 67.2° | 67.4° |
| C30 | C28 | C29 | H32 | 172.8° | 52.7° |
| C28 | C30 | H35 | H33 | 120.0° | 119.9° |
| C28 | C30 | H35 | H34 | 120.0° | 120.1° |
| C28 | C30 | H33 | H34 | 120.0° | 120.1° |
| C27 | C28 | C25 | H26 | 145.6° | 146.8° |
| C28 | C27 | C26 | H28 | 86.1° | 83.4° |
| C28 | C27 | C26 | H27 | 145.2° | 144.7° |
| C27 | C28 | C29 | H30 | 85.6° | 55.1° |
| C27 | C28 | C29 | H31 | 154.4° | 64.8° |
| C27 | C28 | C29 | H32 | 34.4° | 175.1° |
| C27 | C28 | C30 | H35 | 79.7° | 118.4° |
| C27 | C28 | C30 | H33 | 40.4° | 121.7° |
| C27 | C28 | C30 | H34 | 160.4° | 1.6° |
| C29 | C28 | C25 | H26 | 32.3° | 32.5° |
| C29 | C28 | C27 | H29 | 31.9° | 32.2° |
| C28 | C29 | H30 | H31 | 120.0° | 120.0° |
| C28 | C29 | H30 | H32 | 120.0° | 120.0° |
| C28 | C29 | H31 | H32 | 120.0° | 120.1° |
| C29 | C28 | C30 | H35 | 54.2° | 109.2° |
| C29 | C28 | C30 | H33 | 174.2° | 10.7° |
| C29 | C28 | C30 | H34 | 65.8° | 130.7° |
| C18 | C15 | C16 | H13 | 60.2° | 180.0° |
| C18 | C15 | C16 | H11 | 59.8° | 60.1° |
| C18 | C15 | C16 | H12 | 179.8° | 60.0° |
| C18 | C15 | C17 | H15 | 63.3° | 60.0° |
| C18 | C15 | C17 | H16 | 56.7° | 60.1° |
| C18 | C15 | C17 | H14 | 176.7° | 180.0° |
| C15 | C18 | O5 | H38 | 179.7° | 180.0° |
| C17 | C15 | C18 | O5 | 56.1° | 60.1° |
| C17 | C15 | C16 | H13 | 58.0° | 59.9° |
| C17 | C15 | C16 | H11 | 178.0° | 60.0° |
| C17 | C15 | C16 | H12 | 62.0° | 180.0° |
| C15 | C17 | H15 | H16 | 120.0° | 120.0° |
| C15 | C17 | H15 | H14 | 120.0° | 120.0° |
| C15 | C17 | H16 | H14 | 120.0° | 120.0° |
| C8 | O2 | C7 | N1 | 178.2° | 180.0° |
| C8 | O2 | C7 | O1 | 2.6° | 0.0° |
| O2 | C8 | H6 | H5 | 121.1° | 120.0° |
| O2 | C7 | N1 | C6 | 172.0° | 175.3° |
| O2 | C7 | N1 | O1 | 179.2° | 180.0° |
| C7 | O2 | C8 | H6 | 89.7° | 60.0° |
| C7 | O2 | C8 | H5 | 31.1° | 60.0° |
| O2 | C7 | N1 | H4 | 8.0° | 4.7° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 179.1° | 180.0° |
| C5 | C4 | C3 | H2 | 180.0° | 179.9° |
| C4 | C5 | C6 | C31 | 0.2° | 0.3° |
| C5 | C4 | C3 | C2 | 178.7° | 180.0° |
| C5 | C4 | C3 | C32 | 0.9° | 0.2° |
| C5 | C6 | N1 | C31 | 179.3° | 179.7° |
| C5 | C6 | N1 | C7 | 163.7° | 144.8° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C5 | C6 | C31 | C32 | 0.3° | 0.3° |
| C5 | C6 | C31 | H36 | 179.7° | 179.7° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C5 | C6 | N1 | H4 | 16.3° | 35.2° |
| C6 | N1 | C7 | H4 | 180.0° | 180.0° |
| C6 | N1 | C7 | O1 | 7.3° | 4.8° |
| N1 | C6 | C31 | C32 | 179.6° | 180.0° |
| N1 | C6 | C31 | H36 | 0.4° | 0.0° |
| N1 | C6 | C5 | H3 | 0.9° | 0.0° |
| C7 | N1 | C6 | C31 | 15.7° | 35.5° |
| C4 | C3 | C2 | C32 | 177.8° | 179.8° |
| C4 | C3 | C32 | C31 | 1.4° | 0.2° |
| C4 | C3 | C2 | C1 | 177.2° | 92.8° |
| C4 | C3 | C32 | H37 | 178.6° | 179.8° |
| C3 | C4 | C5 | H3 | 179.9° | 179.9° |
| C6 | C31 | C32 | C3 | 1.1° | 0.1° |
| C6 | C31 | C32 | H36 | 180.0° | 180.0° |
| C6 | C31 | C32 | H37 | 178.9° | 180.0° |
| C31 | C6 | C5 | H3 | 179.8° | 179.7° |
| C31 | C6 | N1 | H4 | 164.4° | 144.5° |
| O1 | C7 | N1 | H4 | 172.7° | 175.3° |
| C2 | C3 | C32 | C31 | 179.3° | 180.0° |
| C3 | C2 | C1 | H1 | 68.2° | 83.6° |
| C2 | C3 | C32 | H37 | 0.7° | 0.0° |
| C2 | C3 | C4 | H2 | 1.3° | 0.1° |
| C3 | C32 | C31 | H37 | 180.0° | 180.0° |
| C32 | C3 | C2 | C1 | 0.6° | 87.0° |
| C3 | C32 | C31 | H36 | 178.9° | 179.9° |
| C32 | C3 | C4 | H2 | 179.1° | 179.7° |
| H9 | C12 | C13 | H10 | 2.4° | 0.0° |
| H13 | C16 | H11 | H12 | 120.0° | 120.0° |
| H15 | C17 | H16 | H14 | 120.0° | 120.0° |
| H18 | C21 | H19 | H20 | 120.0° | 120.0° |
| H21 | C22 | C23 | H23 | 9.6° | 84.3° |
| H22 | C22 | C23 | H23 | 111.8° | 38.0° |
| H23 | C23 | C24 | H25 | 128.4° | 34.9° |
| H23 | C23 | C24 | H24 | 9.7° | 154.7° |
| H25 | C24 | C25 | H26 | 62.1° | 37.7° |
| H24 | C24 | C25 | H26 | 56.6° | 82.2° |
| H26 | C25 | C26 | H28 | 30.1° | 33.6° |
| H26 | C25 | C26 | H27 | 98.6° | 98.2° |
| H28 | C26 | C27 | H29 | 28.4° | 32.2° |
| H27 | C26 | C27 | H29 | 100.3° | 99.6° |
| H30 | C29 | H31 | H32 | 120.0° | 120.0° |
| H35 | C30 | H33 | H34 | 120.0° | 120.0° |
| H36 | C31 | C32 | H37 | 1.1° | 0.0° |
| H2 | C4 | C5 | H3 | 0.0° | 0.0° |
