A1JGL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O4 | doub | 1.42Å | 1.43Å | |
| S1 | C10 | sing | 1.76Å | 1.76Å | |
| S1 | N2 | sing | 1.66Å | 1.63Å | |
| C20 | N2 | sing | 1.47Å | 1.48Å | |
| C20 | C21 | sing | 1.55Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C19 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C9 | sing | 1.47Å | 1.48Å | |
| C21 | C8 | sing | 1.55Å | 1.54Å | |
| C23 | C24 | sing | 1.54Å | 1.56Å | |
| C23 | C26 | sing | 1.54Å | 1.56Å | |
| C18 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.54Å | 1.56Å | |
| C16 | C14 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.54Å | 1.53Å | |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C8 | C25 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.54Å | 1.56Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C28 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C17 | sing | 1.53Å | 1.53Å | |
| O2 | C7 | sing | 1.45Å | 1.45Å | |
| O2 | C6 | sing | 1.35Å | 1.35Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.36Å | |
| N1 | C5 | sing | 1.40Å | 1.41Å | |
| C30 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | O1 | doub | 1.21Å | 1.21Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C30 | H40 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | S1 | O4 | 120.3° | 123.1° |
| O3 | S1 | C10 | 107.4° | 106.4° |
| O3 | S1 | N2 | 106.8° | 106.4° |
| O4 | S1 | C10 | 109.4° | 106.4° |
| O4 | S1 | N2 | 107.6° | 106.4° |
| C10 | S1 | N2 | 104.2° | 107.3° |
| S1 | C10 | C19 | 120.8° | 120.0° |
| S1 | C10 | C11 | 118.9° | 120.0° |
| S1 | N2 | C20 | 119.2° | 125.7° |
| S1 | N2 | C9 | 120.1° | 125.7° |
| N2 | C20 | C21 | 104.9° | 104.9° |
| C20 | N2 | C9 | 110.6° | 108.7° |
| N2 | C20 | H24 | 110.6° | 110.3° |
| N2 | C20 | H25 | 110.6° | 110.4° |
| C20 | C21 | C22 | 109.4° | 107.6° |
| C20 | C21 | C8 | 108.4° | 101.3° |
| C21 | C20 | H24 | 110.6° | 110.3° |
| C21 | C20 | H25 | 110.6° | 110.3° |
| C20 | C21 | H26 | 107.2° | 112.5° |
| C21 | C22 | C23 | 114.0° | 109.7° |
| C22 | C21 | C8 | 117.1° | 109.6° |
| C22 | C21 | H26 | 107.3° | 112.7° |
| C21 | C22 | H27 | 108.3° | 109.4° |
| C21 | C22 | H28 | 108.3° | 109.4° |
| C22 | C23 | C24 | 109.7° | 110.9° |
| C22 | C23 | C26 | 112.1° | 111.7° |
| C23 | C22 | H27 | 108.3° | 109.5° |
| C23 | C22 | H28 | 108.3° | 109.4° |
| C22 | C23 | H29 | 115.6° | 114.0° |
| C10 | C19 | C18 | 119.2° | 120.0° |
| C19 | C10 | C11 | 120.3° | 120.0° |
| C10 | C19 | H23 | 120.4° | 120.0° |
| C19 | C18 | C13 | 122.1° | 120.0° |
| C19 | C18 | H22 | 119.0° | 120.0° |
| C18 | C19 | H23 | 120.4° | 120.0° |
| C10 | C11 | C12 | 119.5° | 120.0° |
| C10 | C11 | H11 | 120.3° | 120.0° |
| N2 | C9 | C8 | 105.2° | 107.1° |
| N2 | C9 | H9 | 110.5° | 109.9° |
| N2 | C9 | H10 | 110.5° | 110.0° |
| C21 | C8 | C9 | 104.9° | 103.6° |
| C21 | C8 | C25 | 110.2° | 109.6° |
| C21 | C8 | C7 | 113.0° | 110.9° |
| C8 | C21 | H26 | 107.1° | 112.4° |
| C24 | C23 | C26 | 86.1° | 86.1° |
| C23 | C24 | C25 | 85.7° | 85.4° |
| C24 | C23 | H29 | 114.9° | 115.1° |
| C23 | C24 | H31 | 115.0° | 113.9° |
| C23 | C24 | H30 | 115.1° | 113.9° |
| C23 | C26 | C25 | 85.6° | 85.2° |
| C23 | C26 | C27 | 116.6° | 114.0° |
| C23 | C26 | C28 | 112.3° | 113.9° |
| C26 | C23 | H29 | 114.9° | 116.0° |
| C18 | C13 | C12 | 117.2° | 119.9° |
| C18 | C13 | C14 | 121.6° | 120.0° |
| C13 | C18 | H22 | 119.0° | 120.0° |
| C11 | C12 | C13 | 121.8° | 120.0° |
| C12 | C11 | H11 | 120.3° | 120.0° |
| C11 | C12 | H12 | 119.1° | 120.0° |
| C24 | C25 | C8 | 110.1° | 112.4° |
| C24 | C25 | C26 | 85.8° | 86.0° |
| C25 | C24 | H31 | 115.0° | 113.9° |
| C25 | C24 | H30 | 115.0° | 113.9° |
| C24 | C25 | H32 | 113.7° | 114.8° |
| C16 | C14 | C13 | 108.5° | 109.5° |
| C16 | C14 | C15 | 109.2° | 109.4° |
| C16 | C14 | C17 | 107.5° | 109.5° |
| C14 | C16 | H16 | 109.5° | 109.4° |
| C14 | C16 | H17 | 109.5° | 109.4° |
| C14 | C16 | H18 | 109.5° | 109.5° |
| C9 | C8 | C25 | 110.3° | 110.5° |
| C9 | C8 | C7 | 106.9° | 111.3° |
| C8 | C9 | H9 | 110.5° | 109.9° |
| C8 | C9 | H10 | 110.5° | 109.9° |
| C12 | C13 | C14 | 121.1° | 120.0° |
| C13 | C12 | H12 | 119.1° | 120.0° |
| C13 | C14 | C15 | 111.7° | 109.4° |
| C13 | C14 | C17 | 113.2° | 109.5° |
| C25 | C8 | C7 | 111.3° | 110.8° |
| C8 | C25 | C26 | 116.2° | 111.0° |
| C8 | C25 | H32 | 114.2° | 114.5° |
| C8 | C7 | O2 | 111.0° | 109.4° |
| C8 | C7 | H8 | 109.1° | 109.5° |
| C8 | C7 | H7 | 109.1° | 109.4° |
| C25 | C26 | C27 | 119.8° | 113.9° |
| C25 | C26 | C28 | 113.5° | 113.9° |
| C26 | C25 | H32 | 113.7° | 114.9° |
| C27 | C26 | C28 | 107.8° | 113.1° |
| C26 | C27 | H34 | 109.5° | 109.4° |
| C26 | C27 | H35 | 109.5° | 109.5° |
| C26 | C27 | H33 | 109.5° | 109.5° |
| C26 | C28 | H38 | 109.5° | 109.5° |
| C26 | C28 | H36 | 109.5° | 109.5° |
| C26 | C28 | H37 | 109.5° | 109.5° |
| C15 | C14 | C17 | 106.7° | 109.5° |
| C14 | C15 | H14 | 109.5° | 109.5° |
| C14 | C15 | H15 | 109.4° | 109.4° |
| C14 | C15 | H13 | 109.5° | 109.4° |
| C14 | C17 | H20 | 109.5° | 109.5° |
| C14 | C17 | H21 | 109.5° | 109.5° |
| C14 | C17 | H19 | 109.5° | 109.5° |
| C7 | O2 | C6 | 116.9° | 116.9° |
| O2 | C7 | H8 | 109.1° | 109.5° |
| O2 | C7 | H7 | 109.1° | 109.5° |
| O2 | C6 | N1 | 108.8° | 120.0° |
| O2 | C6 | O1 | 125.3° | 120.0° |
| C30 | C29 | C5 | 120.2° | 119.9° |
| C29 | C30 | C2 | 121.5° | 120.1° |
| C30 | C29 | H39 | 119.9° | 120.0° |
| C29 | C30 | H40 | 119.3° | 120.0° |
| C29 | C5 | N1 | 118.2° | 120.1° |
| C29 | C5 | C4 | 119.1° | 119.9° |
| C5 | C29 | H39 | 119.9° | 120.0° |
| C6 | N1 | C5 | 128.5° | 120.0° |
| N1 | C6 | O1 | 125.9° | 120.0° |
| C6 | N1 | H6 | 115.8° | 120.0° |
| N1 | C5 | C4 | 122.8° | 120.1° |
| C5 | N1 | H6 | 115.8° | 120.0° |
| C30 | C2 | C1 | 121.0° | 120.0° |
| C30 | C2 | C3 | 117.8° | 120.1° |
| C2 | C30 | H40 | 119.2° | 119.9° |
| C5 | C4 | C3 | 119.8° | 120.0° |
| C5 | C4 | H5 | 120.1° | 120.0° |
| C1 | C2 | C3 | 121.2° | 119.9° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C3 | C4 | 121.6° | 120.0° |
| C2 | C3 | H4 | 119.2° | 119.9° |
| C4 | C3 | H4 | 119.2° | 120.0° |
| C3 | C4 | H5 | 120.1° | 120.0° |
| H3 | C1 | H1 | 109.5° | 109.4° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H13 | 109.5° | 109.5° |
| H15 | C15 | H13 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.4° | 109.4° |
| H16 | C16 | H18 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.6° |
| H20 | C17 | H21 | 109.5° | 109.4° |
| H20 | C17 | H19 | 109.5° | 109.5° |
| H21 | C17 | H19 | 109.4° | 109.5° |
| H24 | C20 | H25 | 109.5° | 110.4° |
| H27 | C22 | H28 | 109.5° | 109.4° |
| H31 | C24 | H30 | 109.4° | 113.1° |
| H34 | C27 | H35 | 109.5° | 109.5° |
| H34 | C27 | H33 | 109.4° | 109.4° |
| H35 | C27 | H33 | 109.5° | 109.5° |
| H38 | C28 | H36 | 109.4° | 109.5° |
| H38 | C28 | H37 | 109.5° | 109.5° |
| H36 | C28 | H37 | 109.5° | 109.4° |
| H8 | C7 | H7 | 109.4° | 109.5° |
| H9 | C9 | H10 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | S1 | O4 | C10 | 124.9° | 122.9° |
| O3 | S1 | O4 | N2 | 122.5° | 122.9° |
| O3 | S1 | C10 | N2 | 113.0° | 113.6° |
| O3 | S1 | N2 | C20 | 18.1° | 23.6° |
| O3 | S1 | C10 | C19 | 88.6° | 23.3° |
| O3 | S1 | C10 | C11 | 90.4° | 156.4° |
| O3 | S1 | N2 | C9 | 160.4° | 156.5° |
| O4 | S1 | C10 | N2 | 114.8° | 113.6° |
| O4 | S1 | N2 | C20 | 112.4° | 156.5° |
| O4 | S1 | C10 | C19 | 43.5° | 156.2° |
| O4 | S1 | C10 | C11 | 137.4° | 23.6° |
| O4 | S1 | N2 | C9 | 29.9° | 23.6° |
| C10 | S1 | N2 | C20 | 131.6° | 90.0° |
| S1 | C10 | C19 | C11 | 179.1° | 179.8° |
| S1 | C10 | C19 | C18 | 179.3° | 179.7° |
| C10 | S1 | N2 | C9 | 86.2° | 90.0° |
| S1 | C10 | C11 | C12 | 179.1° | 179.7° |
| S1 | C10 | C11 | H11 | 0.9° | 0.3° |
| S1 | C10 | C19 | H23 | 0.7° | 0.2° |
| S1 | N2 | C20 | C9 | 145.5° | 180.0° |
| S1 | N2 | C20 | C21 | 163.1° | 155.8° |
| N2 | S1 | C10 | C19 | 158.3° | 90.3° |
| N2 | S1 | C10 | C11 | 22.6° | 90.0° |
| S1 | N2 | C9 | C8 | 170.6° | 178.5° |
| S1 | N2 | C20 | H24 | 77.6° | 36.9° |
| S1 | N2 | C20 | H25 | 43.8° | 85.4° |
| S1 | N2 | C9 | H9 | 51.3° | 62.1° |
| S1 | N2 | C9 | H10 | 70.1° | 59.1° |
| N2 | C20 | C21 | H24 | 119.3° | 118.9° |
| N2 | C20 | C21 | H25 | 119.3° | 118.9° |
| N2 | C20 | C21 | C22 | 131.4° | 78.3° |
| N2 | C20 | C21 | C8 | 2.7° | 36.6° |
| C20 | N2 | C9 | C8 | 25.4° | 1.6° |
| N2 | C20 | H24 | H25 | 122.1° | 122.3° |
| N2 | C20 | C21 | H26 | 112.6° | 156.9° |
| C20 | N2 | C9 | H9 | 93.9° | 117.8° |
| C20 | N2 | C9 | H10 | 144.7° | 120.9° |
| C20 | C21 | C22 | C8 | 123.7° | 109.3° |
| C20 | C21 | C22 | H26 | 115.9° | 124.7° |
| C20 | C21 | C22 | C23 | 128.2° | 150.1° |
| C21 | C20 | N2 | C9 | 17.6° | 24.3° |
| C20 | C21 | C8 | H26 | 115.3° | 120.4° |
| C20 | C21 | C8 | C9 | 12.1° | 35.0° |
| C20 | C21 | C8 | C25 | 130.8° | 152.9° |
| C20 | C21 | C8 | C7 | 104.0° | 84.5° |
| C21 | C20 | H24 | H25 | 122.1° | 122.2° |
| C20 | C21 | C22 | H27 | 111.2° | 89.7° |
| C20 | C21 | C22 | H28 | 7.5° | 30.1° |
| C21 | C22 | C23 | H27 | 120.6° | 120.1° |
| C21 | C22 | C23 | H28 | 120.7° | 120.0° |
| C22 | C21 | C8 | H26 | 120.4° | 126.2° |
| C21 | C22 | C23 | C24 | 48.0° | 70.4° |
| C21 | C22 | C23 | C26 | 45.9° | 23.8° |
| C22 | C21 | C8 | C9 | 112.2° | 78.5° |
| C22 | C21 | C8 | C25 | 6.5° | 39.4° |
| C22 | C21 | C8 | C7 | 131.8° | 162.0° |
| C22 | C21 | C20 | H24 | 109.3° | 40.5° |
| C22 | C21 | C20 | H25 | 12.1° | 162.8° |
| C21 | C22 | H27 | H28 | 117.9° | 119.8° |
| C21 | C22 | C23 | H29 | 179.8° | 157.7° |
| C23 | C22 | C21 | C8 | 4.5° | 40.8° |
| C22 | C23 | C24 | C26 | 112.1° | 111.7° |
| C22 | C23 | C24 | H29 | 132.2° | 131.3° |
| C22 | C23 | C26 | H29 | 134.6° | 132.9° |
| C22 | C23 | C24 | C25 | 81.8° | 81.0° |
| C22 | C23 | C26 | C25 | 79.4° | 80.3° |
| C22 | C23 | C26 | C27 | 41.8° | 33.7° |
| C22 | C23 | C26 | C28 | 166.9° | 165.6° |
| C23 | C22 | C21 | H26 | 115.9° | 85.2° |
| C23 | C22 | H27 | H28 | 117.9° | 119.9° |
| C22 | C23 | C24 | H31 | 162.5° | 164.9° |
| C22 | C23 | C24 | H30 | 33.9° | 33.1° |
| C10 | C19 | C18 | H23 | 180.0° | 179.9° |
| C10 | C19 | C18 | C13 | 0.2° | 0.1° |
| C19 | C10 | C11 | C12 | 0.1° | 0.0° |
| C19 | C10 | C11 | H11 | 179.9° | 180.0° |
| C10 | C19 | C18 | H22 | 179.9° | 180.0° |
| C18 | C19 | C10 | C11 | 0.2° | 0.1° |
| C19 | C18 | C13 | H22 | 180.0° | 179.9° |
| C19 | C18 | C13 | C12 | 0.7° | 0.0° |
| C19 | C18 | C13 | C14 | 179.3° | 179.9° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.4° | 0.0° |
| C10 | C11 | C12 | H12 | 179.6° | 180.0° |
| C11 | C10 | C19 | H23 | 179.8° | 180.0° |
| N2 | C9 | C8 | C21 | 22.2° | 21.7° |
| N2 | C9 | C8 | H9 | 119.3° | 119.4° |
| N2 | C9 | C8 | H10 | 119.3° | 119.5° |
| N2 | C9 | C8 | C25 | 140.8° | 138.9° |
| N2 | C9 | C8 | C7 | 98.0° | 97.6° |
| C9 | N2 | C20 | H24 | 136.8° | 143.1° |
| C9 | N2 | C20 | H25 | 101.7° | 94.6° |
| N2 | C9 | H9 | H10 | 122.0° | 121.2° |
| C21 | C8 | C25 | C24 | 53.0° | 67.9° |
| C21 | C8 | C9 | C25 | 118.7° | 117.3° |
| C21 | C8 | C9 | C7 | 120.2° | 119.2° |
| C21 | C8 | C25 | C7 | 126.2° | 122.6° |
| C21 | C8 | C25 | C26 | 42.3° | 26.6° |
| C21 | C8 | C7 | O2 | 59.6° | 64.3° |
| C8 | C21 | C20 | H24 | 122.0° | 155.5° |
| C8 | C21 | C20 | H25 | 116.6° | 82.3° |
| C8 | C21 | C22 | H27 | 125.1° | 160.9° |
| C8 | C21 | C22 | H28 | 116.2° | 79.3° |
| C21 | C8 | C25 | H32 | 177.7° | 158.8° |
| C21 | C8 | C7 | H8 | 60.7° | 55.7° |
| C21 | C8 | C7 | H7 | 179.8° | 175.7° |
| C21 | C8 | C9 | H9 | 97.2° | 141.1° |
| C21 | C8 | C9 | H10 | 141.5° | 97.8° |
| C24 | C23 | C26 | H29 | 115.7° | 116.1° |
| C23 | C24 | C25 | H31 | 115.7° | 114.2° |
| C23 | C24 | C25 | H30 | 115.7° | 114.1° |
| C23 | C24 | C25 | C8 | 86.2° | 80.5° |
| C24 | C23 | C26 | C25 | 30.3° | 30.6° |
| C24 | C23 | C26 | C27 | 151.6° | 144.7° |
| C24 | C23 | C26 | C28 | 83.3° | 83.4° |
| C24 | C23 | C22 | H27 | 168.6° | 169.5° |
| C24 | C23 | C22 | H28 | 72.7° | 49.6° |
| C23 | C24 | H31 | H30 | 131.4° | 132.1° |
| C23 | C24 | C25 | H32 | 144.3° | 146.3° |
| C23 | C26 | C25 | C8 | 80.1° | 81.8° |
| C23 | C26 | C25 | C27 | 118.3° | 114.1° |
| C23 | C26 | C25 | C28 | 112.4° | 114.1° |
| C23 | C26 | C27 | C28 | 127.3° | 132.3° |
| C26 | C23 | C22 | H27 | 74.7° | 96.3° |
| C26 | C23 | C22 | H28 | 166.6° | 143.8° |
| C26 | C23 | C24 | H31 | 85.4° | 83.4° |
| C26 | C23 | C24 | H30 | 146.0° | 144.8° |
| C23 | C26 | C25 | H32 | 144.3° | 146.3° |
| C23 | C26 | C27 | H34 | 180.0° | 23.5° |
| C23 | C26 | C27 | H35 | 60.0° | 143.5° |
| C23 | C26 | C27 | H33 | 60.0° | 96.4° |
| C23 | C26 | C28 | H38 | 180.0° | 40.4° |
| C23 | C26 | C28 | H36 | 60.0° | 160.5° |
| C23 | C26 | C28 | H37 | 60.0° | 79.5° |
| C18 | C13 | C12 | C11 | 0.8° | 0.0° |
| C18 | C13 | C14 | C16 | 81.2° | 0.1° |
| C18 | C13 | C12 | C14 | 178.6° | 179.9° |
| C18 | C13 | C14 | C15 | 39.2° | 120.0° |
| C18 | C13 | C14 | C17 | 159.7° | 120.0° |
| C18 | C13 | C12 | H12 | 179.2° | 180.0° |
| C13 | C18 | C19 | H23 | 179.9° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 179.4° | 179.9° |
| C24 | C25 | C8 | C9 | 62.3° | 45.6° |
| C24 | C25 | C8 | C26 | 95.3° | 94.5° |
| C24 | C25 | C8 | H32 | 129.3° | 133.4° |
| C24 | C25 | C8 | C7 | 179.2° | 169.5° |
| C24 | C25 | C26 | H32 | 114.1° | 115.6° |
| C24 | C25 | C26 | C27 | 148.5° | 144.8° |
| C24 | C25 | C26 | C28 | 82.2° | 83.4° |
| C25 | C24 | C23 | H29 | 146.0° | 147.7° |
| C25 | C24 | H31 | H30 | 131.3° | 132.1° |
| C16 | C14 | C13 | C12 | 97.4° | 180.0° |
| C16 | C14 | C13 | C15 | 120.4° | 119.9° |
| C16 | C14 | C13 | C17 | 119.2° | 120.0° |
| C16 | C14 | C15 | C17 | 115.9° | 120.1° |
| C16 | C14 | C15 | H14 | 180.0° | 59.9° |
| C16 | C14 | C15 | H15 | 60.0° | 60.1° |
| C16 | C14 | C15 | H13 | 60.0° | 180.0° |
| C14 | C16 | H16 | H17 | 120.0° | 119.9° |
| C14 | C16 | H16 | H18 | 120.0° | 120.0° |
| C14 | C16 | H17 | H18 | 120.0° | 120.1° |
| C16 | C14 | C17 | H20 | 180.0° | 180.0° |
| C16 | C14 | C17 | H21 | 60.0° | 60.0° |
| C16 | C14 | C17 | H19 | 60.0° | 60.0° |
| C9 | C8 | C25 | C7 | 118.5° | 123.8° |
| C9 | C8 | C25 | C26 | 157.6° | 140.1° |
| C9 | C8 | C7 | O2 | 55.3° | 50.5° |
| C9 | C8 | C21 | H26 | 127.4° | 155.4° |
| C9 | C8 | C25 | H32 | 67.0° | 87.7° |
| C9 | C8 | C7 | H8 | 175.6° | 170.4° |
| C9 | C8 | C7 | H7 | 64.9° | 69.5° |
| C8 | C9 | H9 | H10 | 122.0° | 121.1° |
| C12 | C13 | C14 | C15 | 142.2° | 60.1° |
| C12 | C13 | C14 | C17 | 21.8° | 60.0° |
| C13 | C12 | C11 | H11 | 179.5° | 180.0° |
| C12 | C13 | C18 | H22 | 179.4° | 180.0° |
| C13 | C14 | C15 | C17 | 124.2° | 120.0° |
| C14 | C13 | C12 | H12 | 0.6° | 0.1° |
| C13 | C14 | C15 | H14 | 60.1° | 60.0° |
| C13 | C14 | C15 | H15 | 59.9° | 180.0° |
| C13 | C14 | C15 | H13 | 179.9° | 60.1° |
| C13 | C14 | C16 | H16 | 180.0° | 60.1° |
| C13 | C14 | C16 | H17 | 60.0° | 180.0° |
| C13 | C14 | C16 | H18 | 60.0° | 59.9° |
| C13 | C14 | C17 | H20 | 60.3° | 60.0° |
| C13 | C14 | C17 | H21 | 179.7° | 179.9° |
| C13 | C14 | C17 | H19 | 59.8° | 60.0° |
| C14 | C13 | C18 | H22 | 0.8° | 0.1° |
| C8 | C25 | C26 | H32 | 135.6° | 131.9° |
| C8 | C25 | C26 | C27 | 38.2° | 32.3° |
| C8 | C25 | C26 | C28 | 167.5° | 164.1° |
| C25 | C8 | C7 | O2 | 175.8° | 173.8° |
| C25 | C8 | C21 | H26 | 113.9° | 86.7° |
| C8 | C25 | C24 | H31 | 158.1° | 165.4° |
| C8 | C25 | C24 | H30 | 29.5° | 33.6° |
| C25 | C8 | C7 | H8 | 64.0° | 66.2° |
| C25 | C8 | C7 | H7 | 55.5° | 53.8° |
| C25 | C8 | C9 | H9 | 21.5° | 101.7° |
| C25 | C8 | C9 | H10 | 99.8° | 19.5° |
| C7 | C8 | C25 | C26 | 83.9° | 96.0° |
| C8 | C7 | O2 | H8 | 120.2° | 119.9° |
| C8 | C7 | O2 | H7 | 120.2° | 120.0° |
| C8 | C7 | O2 | C6 | 158.8° | 180.0° |
| C7 | C8 | C21 | H26 | 11.3° | 35.8° |
| C7 | C8 | C25 | H32 | 51.5° | 36.1° |
| C8 | C7 | H8 | H7 | 119.3° | 120.0° |
| C7 | C8 | C9 | H9 | 142.6° | 21.8° |
| C7 | C8 | C9 | H10 | 21.3° | 143.0° |
| C25 | C26 | C27 | C28 | 131.8° | 132.1° |
| C25 | C26 | C23 | H29 | 146.0° | 146.8° |
| C26 | C25 | C24 | H31 | 85.5° | 83.5° |
| C26 | C25 | C24 | H30 | 145.9° | 144.8° |
| C25 | C26 | C27 | H34 | 79.1° | 119.1° |
| C25 | C26 | C27 | H35 | 40.9° | 120.9° |
| C25 | C26 | C27 | H33 | 160.9° | 0.8° |
| C25 | C26 | C28 | H38 | 84.9° | 55.1° |
| C25 | C26 | C28 | H36 | 155.1° | 64.9° |
| C25 | C26 | C28 | H37 | 35.1° | 175.1° |
| C27 | C26 | C23 | H29 | 92.7° | 99.2° |
| C27 | C26 | C25 | H32 | 97.5° | 99.6° |
| C26 | C27 | H34 | H35 | 120.0° | 120.1° |
| C26 | C27 | H34 | H33 | 120.0° | 119.9° |
| C26 | C27 | H35 | H33 | 120.0° | 120.1° |
| C27 | C26 | C28 | H38 | 50.2° | 172.7° |
| C27 | C26 | C28 | H36 | 69.7° | 67.2° |
| C27 | C26 | C28 | H37 | 170.3° | 52.8° |
| C28 | C26 | C23 | H29 | 32.3° | 32.7° |
| C28 | C26 | C25 | H32 | 31.9° | 32.2° |
| C28 | C26 | C27 | H34 | 52.7° | 108.8° |
| C28 | C26 | C27 | H35 | 172.7° | 11.3° |
| C28 | C26 | C27 | H33 | 67.3° | 131.3° |
| C26 | C28 | H38 | H36 | 120.0° | 120.1° |
| C26 | C28 | H38 | H37 | 120.0° | 120.0° |
| C26 | C28 | H36 | H37 | 120.0° | 120.0° |
| C14 | C15 | H14 | H15 | 120.0° | 119.9° |
| C14 | C15 | H14 | H13 | 120.0° | 120.0° |
| C14 | C15 | H15 | H13 | 120.0° | 119.9° |
| C15 | C14 | C16 | H16 | 58.1° | 180.0° |
| C15 | C14 | C16 | H17 | 61.9° | 60.1° |
| C15 | C14 | C16 | H18 | 178.1° | 60.0° |
| C15 | C14 | C17 | H20 | 63.0° | 60.0° |
| C15 | C14 | C17 | H21 | 57.0° | 60.0° |
| C15 | C14 | C17 | H19 | 177.0° | 180.0° |
| C17 | C14 | C15 | H14 | 64.1° | 180.0° |
| C17 | C14 | C15 | H15 | 175.9° | 60.0° |
| C17 | C14 | C15 | H13 | 55.9° | 60.0° |
| C17 | C14 | C16 | H16 | 57.3° | 59.9° |
| C17 | C14 | C16 | H17 | 177.3° | 60.0° |
| C17 | C14 | C16 | H18 | 62.7° | 179.9° |
| C14 | C17 | H20 | H21 | 120.0° | 120.0° |
| C14 | C17 | H20 | H19 | 120.0° | 120.1° |
| C14 | C17 | H21 | H19 | 120.0° | 120.1° |
| C7 | O2 | C6 | N1 | 175.1° | 179.9° |
| C7 | O2 | C6 | O1 | 5.8° | 0.1° |
| O2 | C7 | H8 | H7 | 119.3° | 120.1° |
| O2 | C6 | N1 | O1 | 179.0° | 179.9° |
| O2 | C6 | N1 | C5 | 177.1° | 174.4° |
| C6 | O2 | C7 | H8 | 80.9° | 60.0° |
| C6 | O2 | C7 | H7 | 38.6° | 60.1° |
| O2 | C6 | N1 | H6 | 2.9° | 5.6° |
| C30 | C29 | C5 | H39 | 180.0° | 180.0° |
| C30 | C29 | C5 | N1 | 179.9° | 180.0° |
| C29 | C30 | C2 | H40 | 180.0° | 179.9° |
| C30 | C29 | C5 | C4 | 0.1° | 0.3° |
| C29 | C30 | C2 | C1 | 179.5° | 180.0° |
| C29 | C30 | C2 | C3 | 0.2° | 0.3° |
| C29 | C5 | N1 | C6 | 166.6° | 34.7° |
| C29 | C5 | N1 | C4 | 179.9° | 179.7° |
| C5 | C29 | C30 | C2 | 0.2° | 0.0° |
| C29 | C5 | C4 | C3 | 0.2° | 0.3° |
| C5 | C29 | C30 | H40 | 179.9° | 179.9° |
| C29 | C5 | C4 | H5 | 179.8° | 179.8° |
| C29 | C5 | N1 | H6 | 13.4° | 145.4° |
| C6 | N1 | C5 | H6 | 180.0° | 179.9° |
| C6 | N1 | C5 | C4 | 13.4° | 145.6° |
| C5 | N1 | C6 | O1 | 3.9° | 5.4° |
| N1 | C5 | C4 | C3 | 179.7° | 180.0° |
| N1 | C5 | C29 | H39 | 0.1° | 0.0° |
| N1 | C5 | C4 | H5 | 0.3° | 0.1° |
| C30 | C2 | C1 | C3 | 179.7° | 179.7° |
| C30 | C2 | C3 | C4 | 0.0° | 0.3° |
| C30 | C2 | C1 | H3 | 90.2° | 90.3° |
| C30 | C2 | C1 | H1 | 149.9° | 29.7° |
| C30 | C2 | C1 | H2 | 29.8° | 149.7° |
| C2 | C30 | C29 | H39 | 179.9° | 180.0° |
| C30 | C2 | C3 | H4 | 180.0° | 179.7° |
| O1 | C6 | N1 | H6 | 176.1° | 174.5° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C3 | H5 | 180.0° | 179.9° |
| C4 | C5 | C29 | H39 | 179.9° | 179.7° |
| C5 | C4 | C3 | H4 | 179.8° | 180.0° |
| C4 | C5 | N1 | H6 | 166.6° | 34.3° |
| C1 | C2 | C3 | C4 | 179.7° | 180.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.1° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 0.3° | 0.0° |
| C1 | C2 | C30 | H40 | 0.5° | 0.1° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C2 | C1 | H3 | 90.2° | 90.0° |
| C3 | C2 | C1 | H1 | 29.8° | 150.0° |
| C3 | C2 | C1 | H2 | 149.8° | 30.0° |
| C3 | C2 | C30 | H40 | 179.8° | 179.7° |
| C2 | C3 | C4 | H5 | 179.8° | 179.9° |
| H3 | C1 | H1 | H2 | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 0.5° | 0.0° |
| H14 | C15 | H15 | H13 | 120.0° | 120.1° |
| H16 | C16 | H17 | H18 | 120.0° | 120.0° |
| H20 | C17 | H21 | H19 | 120.0° | 120.0° |
| H22 | C18 | C19 | H23 | 0.1° | 0.1° |
| H24 | C20 | C21 | H26 | 6.7° | 84.2° |
| H25 | C20 | C21 | H26 | 128.1° | 38.0° |
| H26 | C21 | C22 | H27 | 4.8° | 34.9° |
| H26 | C21 | C22 | H28 | 123.4° | 154.7° |
| H27 | C22 | C23 | H29 | 59.5° | 37.6° |
| H28 | C22 | C23 | H29 | 59.2° | 82.3° |
| H29 | C23 | C24 | H31 | 30.3° | 33.5° |
| H29 | C23 | C24 | H30 | 98.3° | 98.2° |
| H31 | C24 | C25 | H32 | 28.6° | 32.2° |
| H30 | C24 | C25 | H32 | 100.0° | 99.6° |
| H34 | C27 | H35 | H33 | 120.0° | 120.0° |
| H38 | C28 | H36 | H37 | 120.0° | 120.0° |
| H39 | C29 | C30 | H40 | 0.1° | 0.0° |
| H4 | C3 | C4 | H5 | 0.2° | 0.1° |
