N0S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C27 | sing | 1.43Å | 1.43Å | |
| C27 | C22 | sing | 1.53Å | 1.53Å | |
| C27 | C23 | sing | 1.51Å | 1.52Å | |
| O2 | C17 | doub | 1.22Å | 1.23Å | |
| C18 | C12 | sing | 1.53Å | 1.54Å | |
| C18 | C8 | sing | 1.52Å | 1.54Å | |
| C12 | C11 | sing | 1.52Å | 1.51Å | |
| C22 | C21 | sing | 1.54Å | 1.52Å | |
| C22 | C29 | sing | 1.54Å | 1.54Å | |
| C20 | N1 | sing | 1.43Å | 1.49Å | |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C24 | C23 | doub | 1.31Å | 1.39Å | |
| C24 | C25 | sing | 1.51Å | 1.40Å | |
| O4 | S1 | doub | 1.42Å | 1.50Å | |
| N1 | C1 | sing | 1.39Å | 1.35Å | |
| N1 | C7 | sing | 1.43Å | 1.49Å | |
| C11 | C10 | sing | 1.50Å | 1.53Å | |
| C6 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| C17 | C5 | sing | 1.46Å | 1.50Å | |
| C17 | N2 | sing | 1.36Å | 1.33Å | |
| C21 | C28 | sing | 1.54Å | 1.55Å | |
| C31 | C26 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | S1 | sing | 1.82Å | 1.82Å | |
| C26 | C30 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.56Å | |
| C9 | O1 | sing | 1.43Å | 1.46Å | |
| C29 | C28 | sing | 1.55Å | 1.53Å | |
| C8 | C7 | sing | 1.51Å | 1.54Å | |
| C8 | C19 | sing | 1.51Å | 1.56Å | |
| C25 | C30 | sing | 1.53Å | 1.52Å | |
| S1 | N2 | sing | 1.68Å | 1.61Å | |
| S1 | O3 | doub | 1.42Å | 1.50Å | |
| C2 | O1 | sing | 1.36Å | 1.35Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C19 | doub | 1.37Å | 1.39Å | Aromatic |
| C10 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | CL1 | sing | 1.74Å | 1.72Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| C6 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.11Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| O5 | H26 | sing | 0.97Å | 0.95Å | |
| C23 | H27 | sing | 1.09Å | 1.08Å | |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| N2 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C27 | C22 | 107.3° | 109.6° |
| O5 | C27 | C23 | 107.7° | 109.6° |
| O5 | C27 | H25 | 109.9° | 109.7° |
| C27 | O5 | H26 | 109.5° | 114.0° |
| C22 | C27 | C23 | 114.6° | 108.6° |
| C27 | C22 | C21 | 114.3° | 113.9° |
| C27 | C22 | C29 | 114.9° | 114.6° |
| C27 | C22 | H24 | 112.1° | 112.4° |
| C22 | C27 | H25 | 108.6° | 109.7° |
| C27 | C23 | C24 | 121.2° | 121.3° |
| C23 | C27 | H25 | 108.7° | 109.6° |
| C27 | C23 | H27 | 119.4° | 119.5° |
| O2 | C17 | C5 | 121.3° | 118.3° |
| O2 | C17 | N2 | 125.8° | 118.3° |
| C12 | C18 | C8 | 111.8° | 108.9° |
| C18 | C12 | C11 | 108.6° | 109.2° |
| C12 | C18 | H1 | 108.9° | 109.6° |
| C12 | C18 | H2 | 108.9° | 109.5° |
| C18 | C12 | H3 | 109.7° | 109.6° |
| C18 | C12 | H4 | 109.7° | 109.6° |
| C18 | C8 | C9 | 107.5° | 109.6° |
| C18 | C8 | C7 | 109.0° | 110.3° |
| C18 | C8 | C19 | 111.7° | 109.7° |
| C8 | C18 | H1 | 108.9° | 109.6° |
| C8 | C18 | H2 | 108.9° | 109.6° |
| C12 | C11 | C10 | 111.2° | 111.5° |
| C11 | C12 | H3 | 109.7° | 109.5° |
| C11 | C12 | H4 | 109.7° | 109.5° |
| C12 | C11 | H5 | 109.0° | 109.1° |
| C12 | C11 | H6 | 109.0° | 109.1° |
| C21 | C22 | C29 | 89.7° | 88.8° |
| C22 | C21 | C20 | 108.5° | 114.8° |
| C22 | C21 | C28 | 86.2° | 88.8° |
| C22 | C21 | H19 | 115.2° | 110.8° |
| C21 | C22 | H24 | 112.2° | 113.3° |
| C22 | C29 | C28 | 86.4° | 88.1° |
| C22 | C29 | H22 | 114.9° | 113.5° |
| C22 | C29 | H23 | 114.9° | 113.4° |
| C29 | C22 | H24 | 111.9° | 111.7° |
| N1 | C20 | C21 | 119.2° | 121.0° |
| C20 | N1 | C1 | 119.8° | 109.7° |
| C20 | N1 | C7 | 111.0° | 117.4° |
| N1 | C20 | H17 | 107.0° | 107.1° |
| N1 | C20 | H18 | 107.0° | 107.1° |
| C20 | C21 | C28 | 113.8° | 117.5° |
| C21 | C20 | H17 | 107.0° | 107.1° |
| C21 | C20 | H18 | 107.0° | 107.0° |
| C20 | C21 | H19 | 115.0° | 112.4° |
| C23 | C24 | C25 | 118.7° | 119.8° |
| C24 | C23 | H27 | 119.4° | 119.2° |
| C23 | C24 | H28 | 120.6° | 120.6° |
| C24 | C25 | C30 | 112.6° | 109.2° |
| C25 | C24 | H28 | 120.6° | 119.6° |
| C24 | C25 | H29 | 108.7° | 109.6° |
| C24 | C25 | H30 | 108.7° | 109.5° |
| O4 | S1 | C26 | 111.2° | 110.7° |
| O4 | S1 | N2 | 109.4° | 104.5° |
| O4 | S1 | O3 | 111.6° | 121.3° |
| C1 | N1 | C7 | 115.2° | 114.2° |
| N1 | C1 | C6 | 120.2° | 116.3° |
| N1 | C1 | C2 | 123.4° | 125.6° |
| N1 | C7 | C8 | 109.8° | 115.2° |
| N1 | C7 | H10 | 109.4° | 108.3° |
| N1 | C7 | H11 | 109.4° | 108.2° |
| C11 | C10 | C19 | 124.1° | 122.8° |
| C11 | C10 | C16 | 117.0° | 117.5° |
| C10 | C11 | H5 | 109.0° | 109.1° |
| C10 | C11 | H6 | 109.0° | 109.1° |
| C1 | C6 | C5 | 120.6° | 121.5° |
| C6 | C1 | C2 | 116.4° | 118.0° |
| C1 | C6 | H16 | 119.7° | 119.2° |
| C6 | C5 | C17 | 118.2° | 115.5° |
| C6 | C5 | C4 | 122.4° | 119.2° |
| C5 | C6 | H16 | 119.7° | 119.2° |
| C5 | C17 | N2 | 112.8° | 123.4° |
| C17 | C5 | C4 | 119.4° | 125.0° |
| C17 | N2 | S1 | 121.2° | 113.9° |
| C17 | N2 | H37 | 119.4° | 123.1° |
| C21 | C28 | C29 | 89.1° | 88.5° |
| C28 | C21 | H19 | 114.7° | 110.4° |
| C21 | C28 | H20 | 114.3° | 113.4° |
| C21 | C28 | H21 | 114.3° | 113.5° |
| C31 | C26 | S1 | 113.1° | 109.4° |
| C31 | C26 | C30 | 112.5° | 109.4° |
| C31 | C26 | H33 | 108.9° | 109.3° |
| C26 | C31 | H34 | 109.5° | 109.5° |
| C26 | C31 | H35 | 109.4° | 109.5° |
| C26 | C31 | H36 | 109.5° | 109.5° |
| C1 | C2 | O1 | 126.8° | 120.4° |
| C1 | C2 | C3 | 123.0° | 120.5° |
| C5 | C4 | C3 | 118.3° | 119.1° |
| C5 | C4 | H15 | 120.8° | 120.4° |
| S1 | C26 | C30 | 107.7° | 109.8° |
| C26 | S1 | N2 | 106.4° | 103.3° |
| C26 | S1 | O3 | 110.3° | 110.6° |
| S1 | C26 | H33 | 105.7° | 109.4° |
| C26 | C30 | C25 | 111.9° | 109.8° |
| C26 | C30 | H31 | 108.9° | 109.4° |
| C26 | C30 | H32 | 108.8° | 109.3° |
| C30 | C26 | H33 | 108.6° | 109.5° |
| C8 | C9 | O1 | 112.7° | 110.0° |
| C9 | C8 | C7 | 108.5° | 110.0° |
| C9 | C8 | C19 | 109.6° | 108.3° |
| C8 | C9 | H12 | 108.6° | 109.4° |
| C8 | C9 | H13 | 108.6° | 109.4° |
| C9 | O1 | C2 | 113.4° | 115.9° |
| O1 | C9 | H12 | 108.7° | 109.4° |
| O1 | C9 | H13 | 108.7° | 109.3° |
| C29 | C28 | H20 | 114.3° | 113.3° |
| C29 | C28 | H21 | 114.3° | 113.4° |
| C28 | C29 | H22 | 114.9° | 113.5° |
| C28 | C29 | H23 | 114.9° | 113.4° |
| C7 | C8 | C19 | 110.5° | 108.8° |
| C8 | C7 | H10 | 109.4° | 108.4° |
| C8 | C7 | H11 | 109.4° | 108.4° |
| C8 | C19 | C10 | 120.0° | 122.7° |
| C8 | C19 | C13 | 119.5° | 117.6° |
| C30 | C25 | H29 | 108.7° | 109.5° |
| C30 | C25 | H30 | 108.7° | 109.5° |
| C25 | C30 | H31 | 108.9° | 109.5° |
| C25 | C30 | H32 | 108.9° | 109.5° |
| N2 | S1 | O3 | 107.7° | 104.4° |
| S1 | N2 | H37 | 119.4° | 123.0° |
| O1 | C2 | C3 | 110.2° | 119.1° |
| C2 | C3 | C4 | 119.3° | 121.5° |
| C2 | C3 | H14 | 120.3° | 119.3° |
| C4 | C3 | H14 | 120.4° | 119.2° |
| C3 | C4 | H15 | 120.9° | 120.5° |
| C19 | C10 | C16 | 118.9° | 119.7° |
| C10 | C19 | C13 | 120.6° | 119.7° |
| C10 | C16 | C15 | 120.2° | 120.4° |
| C10 | C16 | H7 | 119.9° | 119.8° |
| C19 | C13 | C14 | 120.8° | 120.7° |
| C19 | C13 | H9 | 119.6° | 119.6° |
| C16 | C15 | C14 | 121.4° | 119.9° |
| C16 | C15 | CL1 | 119.9° | 120.0° |
| C15 | C16 | H7 | 119.9° | 119.8° |
| C13 | C14 | C15 | 118.3° | 119.6° |
| C13 | C14 | H8 | 120.9° | 120.2° |
| C14 | C13 | H9 | 119.6° | 119.7° |
| C14 | C15 | CL1 | 118.7° | 120.1° |
| C15 | C14 | H8 | 120.9° | 120.2° |
| H1 | C18 | H2 | 109.5° | 109.6° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 108.9° |
| H10 | C7 | H11 | 109.5° | 108.3° |
| H12 | C9 | H13 | 109.5° | 109.3° |
| H17 | C20 | H18 | 109.5° | 106.7° |
| H20 | C28 | H21 | 109.4° | 112.6° |
| H22 | C29 | H23 | 109.5° | 112.7° |
| H29 | C25 | H30 | 109.5° | 109.5° |
| H31 | C30 | H32 | 109.5° | 109.4° |
| H34 | C31 | H35 | 109.5° | 109.5° |
| H34 | C31 | H36 | 109.4° | 109.5° |
| H35 | C31 | H36 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C27 | C22 | C23 | 119.5° | 119.7° |
| O5 | C27 | C22 | H25 | 118.8° | 120.5° |
| O5 | C27 | C23 | H25 | 119.0° | 120.5° |
| O5 | C27 | C22 | C21 | 176.1° | 1.5° |
| O5 | C27 | C22 | C29 | 74.4° | 101.8° |
| O5 | C27 | C23 | C24 | 107.5° | 10.3° |
| O5 | C27 | C22 | H24 | 54.8° | 129.2° |
| O5 | C27 | C23 | H27 | 72.5° | 170.2° |
| C22 | C27 | C23 | H25 | 121.7° | 119.8° |
| C27 | C22 | C21 | C29 | 117.3° | 116.5° |
| C27 | C22 | C21 | H24 | 129.0° | 130.2° |
| C27 | C22 | C29 | H24 | 129.3° | 129.4° |
| C27 | C22 | C21 | C20 | 107.0° | 105.5° |
| C22 | C27 | C23 | C24 | 133.2° | 109.4° |
| C27 | C22 | C21 | C28 | 139.2° | 134.6° |
| C27 | C22 | C29 | C28 | 139.0° | 133.8° |
| C27 | C22 | C21 | H19 | 23.6° | 23.2° |
| C27 | C22 | C29 | H22 | 23.2° | 111.4° |
| C27 | C22 | C29 | H23 | 105.2° | 19.0° |
| C22 | C27 | O5 | H26 | 180.0° | 180.0° |
| C22 | C27 | C23 | H27 | 46.8° | 70.1° |
| C23 | C27 | C22 | C21 | 56.6° | 121.2° |
| C23 | C27 | C22 | C29 | 45.1° | 138.5° |
| C27 | C23 | C24 | H27 | 180.0° | 179.5° |
| C27 | C23 | C24 | C25 | 176.5° | 178.6° |
| C23 | C27 | C22 | H24 | 174.3° | 9.5° |
| C23 | C27 | O5 | H26 | 56.2° | 60.9° |
| C27 | C23 | C24 | H28 | 3.4° | 2.2° |
| O2 | C17 | C5 | C6 | 42.8° | 39.4° |
| O2 | C17 | C5 | N2 | 176.8° | 179.9° |
| O2 | C17 | C5 | C4 | 138.6° | 146.0° |
| O2 | C17 | N2 | S1 | 3.3° | 22.1° |
| O2 | C17 | N2 | H37 | 176.7° | 157.9° |
| C12 | C18 | C8 | H1 | 120.3° | 119.8° |
| C12 | C18 | C8 | H2 | 120.3° | 119.8° |
| C18 | C12 | C11 | H3 | 119.9° | 120.0° |
| C18 | C12 | C11 | H4 | 119.8° | 120.0° |
| C18 | C12 | C11 | C10 | 51.8° | 47.1° |
| C12 | C18 | C8 | C9 | 164.4° | 171.5° |
| C12 | C18 | C8 | C7 | 78.2° | 67.2° |
| C12 | C18 | C8 | C19 | 44.2° | 52.7° |
| C12 | C18 | H1 | H2 | 118.9° | 120.2° |
| C18 | C12 | H3 | H4 | 120.4° | 120.2° |
| C18 | C12 | C11 | H5 | 172.0° | 167.7° |
| C18 | C12 | C11 | H6 | 68.4° | 73.5° |
| C8 | C18 | C12 | C11 | 66.6° | 68.6° |
| C18 | C8 | C7 | N1 | 65.4° | 51.6° |
| C18 | C8 | C9 | C7 | 117.8° | 121.5° |
| C18 | C8 | C9 | C19 | 121.5° | 119.7° |
| C18 | C8 | C9 | O1 | 155.6° | 50.4° |
| C18 | C8 | C7 | C19 | 123.1° | 120.4° |
| C18 | C8 | C19 | C10 | 10.8° | 20.0° |
| C18 | C8 | C19 | C13 | 168.7° | 159.8° |
| C8 | C18 | H1 | H2 | 118.9° | 120.4° |
| C8 | C18 | C12 | H3 | 53.3° | 51.4° |
| C8 | C18 | C12 | H4 | 173.5° | 171.5° |
| C18 | C8 | C7 | H10 | 174.6° | 69.8° |
| C18 | C8 | C7 | H11 | 54.7° | 172.9° |
| C18 | C8 | C9 | H12 | 83.9° | 170.6° |
| C18 | C8 | C9 | H13 | 35.1° | 69.7° |
| C12 | C11 | C10 | H5 | 120.3° | 120.5° |
| C12 | C11 | C10 | H6 | 120.2° | 120.6° |
| C12 | C11 | C10 | C19 | 19.9° | 14.2° |
| C12 | C11 | C10 | C16 | 158.8° | 166.3° |
| C11 | C12 | C18 | H1 | 53.8° | 51.3° |
| C11 | C12 | C18 | H2 | 173.1° | 171.6° |
| C11 | C12 | H3 | H4 | 120.4° | 120.0° |
| C12 | C11 | H5 | H6 | 119.2° | 118.9° |
| C21 | C22 | C29 | H24 | 113.9° | 114.7° |
| C22 | C21 | C20 | N1 | 178.3° | 96.4° |
| C22 | C21 | C20 | C28 | 94.1° | 102.5° |
| C22 | C21 | C20 | H19 | 130.7° | 127.8° |
| C22 | C21 | C28 | H19 | 116.1° | 111.8° |
| C21 | C22 | C29 | C28 | 22.2° | 17.9° |
| C22 | C21 | C20 | H17 | 56.9° | 140.6° |
| C22 | C21 | C20 | H18 | 60.4° | 26.5° |
| C22 | C21 | C28 | H20 | 94.4° | 96.9° |
| C22 | C21 | C28 | H21 | 138.4° | 132.9° |
| C21 | C22 | C29 | H22 | 93.6° | 132.7° |
| C21 | C22 | C29 | H23 | 138.0° | 96.9° |
| C21 | C22 | C27 | H25 | 65.1° | 119.1° |
| C29 | C22 | C21 | C20 | 135.7° | 138.0° |
| C22 | C29 | C28 | H22 | 115.8° | 114.8° |
| C22 | C29 | C28 | H23 | 115.8° | 114.8° |
| C29 | C22 | C21 | H19 | 93.8° | 93.4° |
| C22 | C29 | C28 | H20 | 94.6° | 97.1° |
| C22 | C29 | C28 | H21 | 138.2° | 132.8° |
| C22 | C29 | H22 | H23 | 131.0° | 130.7° |
| C29 | C22 | C27 | H25 | 166.8° | 18.8° |
| N1 | C20 | C21 | H17 | 121.4° | 123.0° |
| N1 | C20 | C21 | H18 | 121.4° | 122.9° |
| C20 | N1 | C1 | C7 | 136.6° | 134.2° |
| C20 | N1 | C1 | C6 | 12.0° | 11.1° |
| N1 | C20 | C21 | C28 | 87.6° | 6.1° |
| C20 | N1 | C1 | C2 | 169.4° | 167.0° |
| C20 | N1 | C7 | C8 | 130.7° | 153.4° |
| C20 | N1 | C7 | H10 | 109.2° | 31.9° |
| C20 | N1 | C7 | H11 | 10.7° | 85.2° |
| N1 | C20 | H17 | H18 | 115.6° | 114.4° |
| N1 | C20 | C21 | H19 | 47.6° | 135.8° |
| C21 | C20 | N1 | C1 | 59.8° | 148.7° |
| C21 | C20 | N1 | C7 | 78.5° | 78.7° |
| C20 | C21 | C28 | H19 | 135.3° | 130.6° |
| C20 | C21 | C28 | C29 | 130.6° | 135.5° |
| C21 | C20 | H17 | H18 | 115.6° | 114.3° |
| C20 | C21 | C28 | H20 | 14.2° | 20.7° |
| C20 | C21 | C28 | H21 | 113.0° | 109.5° |
| C20 | C21 | C22 | H24 | 22.0° | 24.8° |
| C23 | C24 | C25 | H28 | 180.0° | 179.2° |
| C23 | C24 | C25 | C30 | 129.1° | 147.0° |
| C24 | C23 | C27 | H25 | 11.5° | 130.8° |
| C23 | C24 | C25 | H29 | 110.4° | 27.1° |
| C23 | C24 | C25 | H30 | 8.7° | 93.1° |
| C24 | C25 | C30 | C26 | 70.2° | 129.0° |
| C24 | C25 | C30 | H29 | 120.5° | 120.0° |
| C24 | C25 | C30 | H30 | 120.5° | 119.9° |
| C25 | C24 | C23 | H27 | 3.5° | 0.9° |
| C24 | C25 | H29 | H30 | 118.6° | 120.2° |
| C24 | C25 | C30 | H31 | 50.1° | 110.9° |
| C24 | C25 | C30 | H32 | 169.4° | 9.1° |
| O4 | S1 | N2 | C17 | 59.6° | 160.6° |
| O4 | S1 | C26 | C31 | 64.0° | 19.5° |
| O4 | S1 | C26 | N2 | 119.1° | 111.3° |
| O4 | S1 | C26 | O3 | 124.4° | 137.4° |
| O4 | S1 | C26 | C30 | 171.0° | 139.6° |
| O4 | S1 | N2 | O3 | 121.5° | 128.4° |
| O4 | S1 | C26 | H33 | 55.0° | 100.3° |
| O4 | S1 | N2 | H37 | 120.4° | 19.3° |
| N1 | C1 | C6 | C2 | 178.7° | 178.2° |
| N1 | C1 | C6 | C5 | 179.6° | 175.2° |
| C1 | N1 | C7 | C8 | 88.9° | 76.1° |
| N1 | C1 | C2 | O1 | 2.4° | 1.7° |
| N1 | C1 | C2 | C3 | 178.6° | 177.4° |
| C1 | N1 | C7 | H10 | 31.1° | 162.5° |
| C1 | N1 | C7 | H11 | 151.0° | 45.4° |
| N1 | C1 | C6 | H16 | 0.4° | 4.8° |
| C1 | N1 | C20 | H17 | 61.6° | 88.3° |
| C1 | N1 | C20 | H18 | 178.9° | 25.8° |
| C7 | N1 | C1 | C6 | 148.7° | 123.1° |
| C7 | N1 | C1 | C2 | 32.8° | 58.8° |
| N1 | C7 | C8 | C9 | 51.4° | 69.5° |
| N1 | C7 | C8 | H10 | 120.0° | 121.4° |
| N1 | C7 | C8 | H11 | 120.1° | 121.3° |
| N1 | C7 | C8 | C19 | 171.5° | 172.0° |
| N1 | C7 | H10 | H11 | 119.9° | 117.0° |
| C7 | N1 | C20 | H17 | 160.1° | 44.3° |
| C7 | N1 | C20 | H18 | 42.9° | 158.4° |
| C11 | C10 | C19 | C8 | 1.4° | 0.4° |
| C11 | C10 | C19 | C16 | 178.7° | 179.5° |
| C11 | C10 | C19 | C13 | 179.1° | 179.5° |
| C11 | C10 | C16 | C15 | 178.8° | 179.6° |
| C10 | C11 | C12 | H3 | 68.1° | 72.9° |
| C10 | C11 | C12 | H4 | 171.6° | 167.1° |
| C10 | C11 | H5 | H6 | 119.2° | 119.0° |
| C11 | C10 | C16 | H7 | 1.2° | 0.5° |
| C1 | C6 | C5 | H16 | 180.0° | 180.0° |
| C1 | C6 | C5 | C17 | 177.0° | 170.9° |
| C1 | C6 | C5 | C4 | 1.5° | 4.0° |
| C6 | C1 | C2 | O1 | 176.2° | 179.7° |
| C6 | C1 | C2 | C3 | 0.0° | 0.6° |
| C6 | C5 | C17 | C4 | 178.6° | 174.6° |
| C6 | C5 | C17 | N2 | 134.1° | 140.5° |
| C5 | C6 | C1 | C2 | 1.7° | 3.0° |
| C6 | C5 | C4 | C3 | 0.4° | 2.5° |
| C6 | C5 | C4 | H15 | 179.6° | 177.5° |
| C5 | C17 | N2 | S1 | 179.9° | 157.9° |
| C17 | C5 | C4 | C3 | 179.0° | 171.9° |
| C17 | C5 | C4 | H15 | 1.0° | 8.0° |
| C17 | C5 | C6 | H16 | 3.0° | 9.1° |
| C5 | C17 | N2 | H37 | 0.1° | 22.2° |
| N2 | C17 | C5 | C4 | 44.5° | 34.1° |
| C17 | N2 | S1 | C26 | 60.6° | 83.5° |
| C17 | N2 | S1 | H37 | 180.0° | 179.9° |
| C17 | N2 | S1 | O3 | 178.9° | 32.3° |
| C21 | C28 | C29 | H20 | 116.4° | 115.0° |
| C21 | C28 | C29 | H21 | 116.4° | 115.0° |
| C28 | C21 | C20 | H17 | 151.0° | 116.9° |
| C28 | C21 | C20 | H18 | 33.7° | 129.0° |
| C21 | C28 | H20 | H21 | 129.7° | 130.6° |
| C21 | C28 | C29 | H22 | 94.0° | 132.7° |
| C21 | C28 | C29 | H23 | 137.6° | 96.9° |
| C28 | C21 | C22 | H24 | 91.8° | 95.2° |
| C31 | C26 | S1 | C30 | 125.0° | 120.1° |
| C31 | C26 | S1 | H33 | 119.1° | 119.8° |
| C31 | C26 | C30 | H33 | 120.6° | 119.8° |
| C31 | C26 | C30 | C25 | 75.6° | 73.5° |
| C31 | C26 | S1 | N2 | 176.9° | 130.8° |
| C31 | C26 | S1 | O3 | 60.4° | 117.9° |
| C31 | C26 | C30 | H31 | 164.1° | 46.6° |
| C31 | C26 | C30 | H32 | 44.8° | 166.4° |
| C26 | C31 | H34 | H35 | 120.0° | 120.0° |
| C26 | C31 | H34 | H36 | 120.0° | 120.0° |
| C26 | C31 | H35 | H36 | 120.0° | 120.0° |
| C1 | C2 | O1 | C9 | 38.9° | 63.2° |
| C1 | C2 | O1 | C3 | 176.6° | 179.1° |
| C1 | C2 | C3 | C4 | 1.9° | 0.8° |
| C1 | C2 | C3 | H14 | 178.1° | 179.0° |
| C2 | C1 | C6 | H16 | 178.3° | 177.0° |
| C5 | C4 | C3 | C2 | 2.1° | 0.1° |
| C5 | C4 | C3 | H15 | 180.0° | 180.0° |
| C5 | C4 | C3 | H14 | 177.9° | 180.0° |
| C4 | C5 | C6 | H16 | 178.4° | 176.0° |
| S1 | C26 | C30 | H33 | 114.1° | 120.1° |
| S1 | C26 | C30 | C25 | 159.1° | 166.4° |
| C26 | S1 | N2 | O3 | 118.3° | 115.8° |
| S1 | C26 | C30 | H31 | 38.7° | 73.5° |
| S1 | C26 | C30 | H32 | 80.5° | 46.3° |
| S1 | C26 | C31 | H34 | 180.0° | 60.0° |
| S1 | C26 | C31 | H35 | 60.0° | 180.0° |
| S1 | C26 | C31 | H36 | 60.0° | 60.0° |
| C26 | S1 | N2 | H37 | 119.4° | 96.5° |
| C26 | C30 | C25 | H31 | 120.4° | 120.1° |
| C26 | C30 | C25 | H32 | 120.4° | 120.0° |
| C30 | C26 | S1 | N2 | 51.9° | 109.1° |
| C30 | C26 | S1 | O3 | 64.6° | 2.2° |
| C26 | C30 | C25 | H29 | 50.3° | 9.1° |
| C26 | C30 | C25 | H30 | 169.3° | 111.0° |
| C26 | C30 | H31 | H32 | 118.9° | 119.7° |
| C30 | C26 | C31 | H34 | 57.7° | 179.7° |
| C30 | C26 | C31 | H35 | 62.3° | 59.7° |
| C30 | C26 | C31 | H36 | 177.7° | 60.3° |
| C8 | C9 | O1 | H12 | 120.5° | 120.2° |
| C8 | C9 | O1 | H13 | 120.5° | 120.2° |
| C9 | C8 | C7 | C19 | 120.1° | 118.5° |
| C8 | C9 | O1 | C2 | 86.5° | 85.5° |
| C9 | C8 | C19 | C10 | 129.8° | 139.6° |
| C9 | C8 | C19 | C13 | 49.7° | 40.2° |
| C9 | C8 | C18 | H1 | 44.1° | 51.7° |
| C9 | C8 | C18 | H2 | 75.3° | 68.7° |
| C9 | C8 | C7 | H10 | 68.6° | 169.1° |
| C9 | C8 | C7 | H11 | 171.4° | 51.8° |
| C8 | C9 | H12 | H13 | 118.5° | 119.8° |
| O1 | C9 | C8 | C7 | 37.8° | 71.1° |
| O1 | C9 | C8 | C19 | 82.9° | 170.1° |
| C9 | O1 | C2 | C3 | 137.7° | 117.7° |
| O1 | C9 | H12 | H13 | 118.6° | 119.7° |
| C29 | C28 | C21 | H19 | 94.1° | 93.8° |
| C29 | C28 | H20 | H21 | 129.6° | 130.4° |
| C28 | C29 | H22 | H23 | 131.0° | 130.7° |
| C28 | C29 | C22 | H24 | 91.7° | 96.8° |
| C7 | C8 | C19 | C10 | 110.8° | 100.8° |
| C7 | C8 | C19 | C13 | 69.8° | 79.4° |
| C7 | C8 | C18 | H1 | 161.4° | 173.0° |
| C7 | C8 | C18 | H2 | 42.1° | 52.6° |
| C8 | C7 | H10 | H11 | 119.9° | 117.4° |
| C7 | C8 | C9 | H12 | 158.3° | 49.1° |
| C7 | C8 | C9 | H13 | 82.6° | 168.8° |
| C8 | C19 | C10 | C13 | 179.4° | 179.8° |
| C8 | C19 | C10 | C16 | 179.9° | 179.8° |
| C8 | C19 | C13 | C14 | 179.7° | 179.8° |
| C19 | C8 | C18 | H1 | 76.1° | 67.2° |
| C19 | C8 | C18 | H2 | 164.5° | 172.5° |
| C8 | C19 | C13 | H9 | 0.3° | 0.2° |
| C19 | C8 | C7 | H10 | 51.5° | 50.6° |
| C19 | C8 | C7 | H11 | 68.4° | 66.7° |
| C19 | C8 | C9 | H12 | 37.6° | 69.7° |
| C19 | C8 | C9 | H13 | 156.6° | 50.0° |
| C30 | C25 | C24 | H28 | 50.9° | 33.8° |
| C30 | C25 | H29 | H30 | 118.5° | 120.1° |
| C25 | C30 | H31 | H32 | 118.9° | 120.0° |
| C25 | C30 | C26 | H33 | 45.0° | 46.3° |
| N2 | S1 | C26 | H33 | 64.1° | 11.1° |
| O3 | S1 | C26 | H33 | 179.4° | 122.4° |
| O3 | S1 | N2 | H37 | 1.1° | 147.7° |
| O1 | C2 | C3 | C4 | 178.7° | 178.3° |
| C2 | O1 | C9 | H12 | 153.0° | 34.7° |
| C2 | O1 | C9 | H13 | 33.9° | 154.4° |
| O1 | C2 | C3 | H14 | 1.4° | 1.9° |
| C2 | C3 | C4 | H14 | 180.0° | 179.9° |
| C2 | C3 | C4 | H15 | 177.9° | 179.9° |
| C19 | C10 | C16 | C15 | 0.0° | 0.1° |
| C10 | C19 | C13 | C14 | 0.3° | 0.0° |
| C19 | C10 | C11 | H5 | 140.2° | 134.8° |
| C19 | C10 | C11 | H6 | 100.3° | 106.3° |
| C19 | C10 | C16 | H7 | 180.0° | 180.0° |
| C10 | C19 | C13 | H9 | 179.7° | 179.9° |
| C16 | C10 | C19 | C13 | 0.4° | 0.0° |
| C10 | C16 | C15 | H7 | 180.0° | 179.9° |
| C10 | C16 | C15 | C14 | 0.7° | 0.3° |
| C10 | C16 | C15 | CL1 | 179.8° | 179.7° |
| C16 | C10 | C11 | H5 | 38.5° | 45.7° |
| C16 | C10 | C11 | H6 | 81.0° | 73.2° |
| C19 | C13 | C14 | H9 | 180.0° | 180.0° |
| C19 | C13 | C14 | C15 | 0.4° | 0.2° |
| C19 | C13 | C14 | H8 | 179.7° | 179.7° |
| C16 | C15 | C14 | C13 | 0.8° | 0.4° |
| C16 | C15 | C14 | CL1 | 179.5° | 179.9° |
| C16 | C15 | C14 | H8 | 179.2° | 179.6° |
| C13 | C14 | C15 | H8 | 180.0° | 179.9° |
| C13 | C14 | C15 | CL1 | 179.6° | 179.7° |
| C14 | C15 | C16 | H7 | 179.3° | 179.8° |
| C15 | C14 | C13 | H9 | 179.6° | 179.7° |
| CL1 | C15 | C16 | H7 | 0.2° | 0.1° |
| CL1 | C15 | C14 | H8 | 0.4° | 0.4° |
| H1 | C18 | C12 | H3 | 173.6° | 171.2° |
| H1 | C18 | C12 | H4 | 66.1° | 68.6° |
| H2 | C18 | C12 | H3 | 67.1° | 68.5° |
| H2 | C18 | C12 | H4 | 53.2° | 51.6° |
| H3 | C12 | C11 | H5 | 52.2° | 47.7° |
| H3 | C12 | C11 | H6 | 171.7° | 166.5° |
| H4 | C12 | C11 | H5 | 68.1° | 72.3° |
| H4 | C12 | C11 | H6 | 51.4° | 46.5° |
| H8 | C14 | C13 | H9 | 0.4° | 0.3° |
| H14 | C3 | C4 | H15 | 2.1° | 0.0° |
| H17 | C20 | C21 | H19 | 73.8° | 12.8° |
| H18 | C20 | C21 | H19 | 168.9° | 101.3° |
| H19 | C21 | C28 | H20 | 149.5° | 151.3° |
| H19 | C21 | C28 | H21 | 22.3° | 21.1° |
| H19 | C21 | C22 | H24 | 152.6° | 153.4° |
| H20 | C28 | C29 | H22 | 149.6° | 17.7° |
| H20 | C28 | C29 | H23 | 21.2° | 148.1° |
| H21 | C28 | C29 | H22 | 22.4° | 112.3° |
| H21 | C28 | C29 | H23 | 106.0° | 18.0° |
| H22 | C29 | C22 | H24 | 152.5° | 18.0° |
| H23 | C29 | C22 | H24 | 24.1° | 148.4° |
| H24 | C22 | C27 | H25 | 64.0° | 110.2° |
| H25 | C27 | O5 | H26 | 62.1° | 59.5° |
| H25 | C27 | C23 | H27 | 168.5° | 49.7° |
| H27 | C23 | C24 | H28 | 176.6° | 178.2° |
| H28 | C24 | C25 | H29 | 69.6° | 153.8° |
| H28 | C24 | C25 | H30 | 171.3° | 86.1° |
| H29 | C25 | C30 | H31 | 170.6° | 129.1° |
| H29 | C25 | C30 | H32 | 70.1° | 110.9° |
| H30 | C25 | C30 | H31 | 70.3° | 9.1° |
| H30 | C25 | C30 | H32 | 48.9° | 129.0° |
| H31 | C30 | C26 | H33 | 75.3° | 166.4° |
| H32 | C30 | C26 | H33 | 165.4° | 73.8° |
| H33 | C26 | C31 | H34 | 62.8° | 59.8° |
| H33 | C26 | C31 | H35 | 177.2° | 60.2° |
| H33 | C26 | C31 | H36 | 57.2° | 179.9° |
| H34 | C31 | H35 | H36 | 120.0° | 120.0° |
