A1CED
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C19 | doub | 1.21Å | 1.23Å | |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| C19 | N3 | sing | 1.35Å | 1.37Å | |
| C18 | C17 | sing | 1.54Å | 1.52Å | |
| N3 | C20 | sing | 1.34Å | 1.37Å | |
| C20 | N2 | sing | 1.34Å | 1.39Å | |
| C20 | O2 | doub | 1.22Å | 1.22Å | |
| C17 | N2 | sing | 1.46Å | 1.48Å | |
| C15 | C16 | doub | 1.36Å | 1.36Å | Aromatic |
| C15 | N1 | sing | 1.34Å | 1.38Å | Aromatic |
| N2 | C16 | sing | 1.40Å | 1.37Å | |
| C16 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| N1 | C14 | doub | 1.32Å | 1.33Å | Aromatic |
| N4 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| N4 | C21 | sing | 1.37Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.35Å | 1.34Å | Aromatic |
| C13 | C12 | doub | 1.36Å | 1.36Å | Aromatic |
| CL | C29 | sing | 1.74Å | 1.73Å | |
| C22 | C12 | sing | 1.41Å | 1.45Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| O3 | S | doub | 1.42Å | 1.43Å | |
| C11 | N | sing | 1.46Å | 1.45Å | |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | S | sing | 1.81Å | 1.79Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| N | C10 | sing | 1.35Å | 1.33Å | |
| S | O4 | doub | 1.42Å | 1.43Å | |
| S | N5 | sing | 1.66Å | 1.61Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C10 | O | doub | 1.21Å | 1.23Å | |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| N5 | C9 | sing | 1.47Å | 1.48Å | |
| N5 | C1 | sing | 1.47Å | 1.48Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C2 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| N | H15 | sing | 0.97Å | 1.00Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C3 | H28 | sing | 1.08Å | 1.08Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C19 | C18 | 122.4° | 120.0° |
| O1 | C19 | N3 | 120.4° | 120.0° |
| C18 | C19 | N3 | 117.1° | 120.0° |
| C19 | C18 | C17 | 113.2° | 109.0° |
| C19 | C18 | H22 | 108.5° | 109.3° |
| C19 | C18 | H23 | 108.5° | 110.0° |
| C19 | N3 | C20 | 128.0° | 121.0° |
| C19 | N3 | H1 | 116.0° | 119.5° |
| C18 | C17 | N2 | 113.7° | 109.4° |
| C18 | C17 | H9 | 108.4° | 109.3° |
| C18 | C17 | H10 | 108.4° | 109.8° |
| C17 | C18 | H22 | 108.6° | 109.5° |
| C17 | C18 | H23 | 108.5° | 109.4° |
| N3 | C20 | N2 | 115.7° | 121.6° |
| N3 | C20 | O2 | 122.0° | 119.2° |
| C20 | N3 | H1 | 116.0° | 119.5° |
| N2 | C20 | O2 | 122.3° | 119.1° |
| C20 | N2 | C17 | 123.1° | 120.9° |
| C20 | N2 | C16 | 122.8° | 119.6° |
| C17 | N2 | C16 | 114.1° | 119.5° |
| N2 | C17 | H9 | 108.4° | 109.5° |
| N2 | C17 | H10 | 108.4° | 109.4° |
| C16 | C15 | N1 | 110.6° | 108.6° |
| C15 | C16 | N2 | 131.4° | 126.5° |
| C15 | C16 | N4 | 106.8° | 107.1° |
| C16 | C15 | H8 | 124.7° | 125.7° |
| C15 | N1 | C14 | 105.2° | 109.3° |
| N1 | C15 | H8 | 124.7° | 125.7° |
| N2 | C16 | N4 | 121.4° | 126.4° |
| C16 | N4 | C14 | 106.2° | 107.0° |
| C16 | N4 | C21 | 131.7° | 132.6° |
| N1 | C14 | N4 | 111.2° | 108.1° |
| N1 | C14 | C13 | 130.6° | 132.4° |
| C14 | N4 | C21 | 122.1° | 120.4° |
| N4 | C14 | C13 | 118.3° | 119.5° |
| N4 | C21 | C22 | 119.5° | 120.6° |
| N4 | C21 | H11 | 120.3° | 119.8° |
| C14 | C13 | C12 | 120.5° | 119.4° |
| C14 | C13 | H7 | 119.7° | 120.3° |
| C21 | C22 | C12 | 120.9° | 120.3° |
| C22 | C21 | H11 | 120.3° | 119.6° |
| C21 | C22 | H12 | 119.6° | 119.9° |
| C13 | C12 | C22 | 118.7° | 119.8° |
| C13 | C12 | C11 | 123.7° | 120.1° |
| C12 | C13 | H7 | 119.7° | 120.4° |
| CL | C29 | C28 | 118.0° | 120.0° |
| CL | C29 | C24 | 119.8° | 120.0° |
| C22 | C12 | C11 | 117.6° | 120.0° |
| C12 | C22 | H12 | 119.6° | 119.8° |
| C12 | C11 | N | 110.8° | 109.5° |
| C12 | C11 | H20 | 109.1° | 109.4° |
| C12 | C11 | H21 | 109.1° | 109.5° |
| O3 | S | C23 | 107.2° | 110.5° |
| O3 | S | O4 | 118.7° | 121.0° |
| O3 | S | N5 | 108.1° | 104.3° |
| C11 | N | C10 | 123.2° | 120.0° |
| C11 | N | H15 | 118.4° | 120.0° |
| N | C11 | H20 | 109.1° | 109.5° |
| N | C11 | H21 | 109.1° | 109.5° |
| C28 | C29 | C24 | 122.1° | 120.0° |
| C29 | C28 | C27 | 119.3° | 120.0° |
| C29 | C28 | H14 | 120.3° | 120.0° |
| C29 | C24 | C23 | 124.0° | 120.0° |
| C29 | C24 | C25 | 117.2° | 120.0° |
| C28 | C27 | C26 | 120.0° | 120.0° |
| C27 | C28 | H14 | 120.4° | 120.0° |
| C28 | C27 | H27 | 120.0° | 120.0° |
| S | C23 | C24 | 113.4° | 109.5° |
| C23 | S | O4 | 107.3° | 110.6° |
| C23 | S | N5 | 107.0° | 104.4° |
| S | C23 | H24 | 108.5° | 109.4° |
| S | C23 | H25 | 108.5° | 109.5° |
| C23 | C24 | C25 | 118.8° | 120.0° |
| C24 | C23 | H24 | 108.5° | 109.5° |
| C24 | C23 | H25 | 108.5° | 109.5° |
| N | C10 | C9 | 114.7° | 120.0° |
| N | C10 | O | 123.6° | 120.0° |
| C10 | N | H15 | 118.4° | 120.0° |
| O4 | S | N5 | 108.1° | 104.3° |
| S | N5 | C9 | 117.1° | 121.4° |
| S | N5 | C1 | 125.6° | 121.3° |
| C24 | C25 | C26 | 121.2° | 120.0° |
| C24 | C25 | H26 | 119.4° | 120.0° |
| C9 | C10 | O | 121.7° | 120.0° |
| C10 | C9 | N5 | 112.5° | 109.8° |
| C10 | C9 | C8 | 112.6° | 109.8° |
| C10 | C9 | H29 | 106.7° | 109.8° |
| C27 | C26 | C25 | 120.2° | 120.1° |
| C27 | C26 | H13 | 119.9° | 120.0° |
| C26 | C27 | H27 | 120.0° | 120.0° |
| C9 | N5 | C1 | 117.2° | 117.3° |
| N5 | C9 | C8 | 110.9° | 107.9° |
| N5 | C9 | H29 | 107.2° | 109.9° |
| N5 | C1 | C | 113.7° | 109.5° |
| N5 | C1 | C2 | 108.5° | 109.6° |
| N5 | C1 | H19 | 107.3° | 109.4° |
| C9 | C8 | C7 | 116.5° | 110.9° |
| C9 | C8 | H5 | 107.7° | 109.2° |
| C9 | C8 | H6 | 107.7° | 109.2° |
| C8 | C9 | H29 | 106.6° | 109.8° |
| C25 | C26 | H13 | 119.9° | 119.9° |
| C26 | C25 | H26 | 119.4° | 120.1° |
| C | C1 | C2 | 113.1° | 109.5° |
| C1 | C | H16 | 109.5° | 109.5° |
| C1 | C | H17 | 109.5° | 109.5° |
| C1 | C | H18 | 109.5° | 109.5° |
| C | C1 | H19 | 106.8° | 109.5° |
| C1 | C2 | C7 | 120.5° | 122.3° |
| C1 | C2 | C3 | 119.7° | 117.8° |
| C2 | C1 | H19 | 107.0° | 109.4° |
| C8 | C7 | C2 | 120.6° | 122.9° |
| C8 | C7 | C6 | 120.4° | 117.7° |
| C7 | C8 | H5 | 107.7° | 109.2° |
| C7 | C8 | H6 | 107.7° | 109.2° |
| C7 | C2 | C3 | 119.6° | 119.9° |
| C2 | C7 | C6 | 118.9° | 119.5° |
| C2 | C3 | C4 | 120.6° | 120.5° |
| C2 | C3 | H28 | 119.7° | 119.8° |
| C7 | C6 | C5 | 120.9° | 120.6° |
| C7 | C6 | H4 | 119.6° | 119.7° |
| C3 | C4 | C5 | 120.0° | 119.7° |
| C3 | C4 | H2 | 120.0° | 120.1° |
| C4 | C3 | H28 | 119.7° | 119.7° |
| C6 | C5 | C4 | 120.0° | 119.8° |
| C6 | C5 | H3 | 120.0° | 120.1° |
| C5 | C6 | H4 | 119.5° | 119.7° |
| C5 | C4 | H2 | 120.0° | 120.2° |
| C4 | C5 | H3 | 120.0° | 120.1° |
| H5 | C8 | H6 | 109.5° | 109.2° |
| H9 | C17 | H10 | 109.5° | 109.4° |
| H16 | C | H17 | 109.5° | 109.4° |
| H16 | C | H18 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C19 | C18 | N3 | 179.1° | 180.0° |
| O1 | C19 | C18 | C17 | 155.4° | 145.5° |
| O1 | C19 | N3 | C20 | 176.9° | 175.6° |
| O1 | C19 | N3 | H1 | 3.1° | 4.6° |
| O1 | C19 | C18 | H22 | 34.9° | 25.8° |
| O1 | C19 | C18 | H23 | 84.0° | 94.5° |
| C19 | C18 | C17 | H22 | 120.5° | 119.6° |
| C19 | C18 | C17 | H23 | 120.5° | 120.4° |
| C18 | C19 | N3 | C20 | 4.0° | 4.4° |
| C19 | C18 | C17 | N2 | 35.0° | 47.0° |
| C18 | C19 | N3 | H1 | 176.0° | 175.4° |
| C19 | C18 | C17 | H9 | 85.7° | 166.9° |
| C19 | C18 | C17 | H10 | 155.6° | 73.0° |
| C19 | C18 | H22 | H23 | 118.3° | 120.6° |
| N3 | C19 | C18 | C17 | 25.4° | 34.5° |
| C19 | N3 | C20 | H1 | 180.0° | 179.8° |
| C19 | N3 | C20 | N2 | 7.4° | 12.3° |
| C19 | N3 | C20 | O2 | 172.7° | 167.7° |
| N3 | C19 | C18 | H22 | 146.0° | 154.2° |
| N3 | C19 | C18 | H23 | 95.1° | 85.5° |
| C18 | C17 | N2 | C20 | 26.4° | 36.1° |
| C18 | C17 | N2 | H9 | 120.6° | 119.8° |
| C18 | C17 | N2 | H10 | 120.6° | 120.3° |
| C18 | C17 | N2 | C16 | 155.0° | 144.1° |
| C18 | C17 | H9 | H10 | 118.0° | 120.3° |
| C17 | C18 | H22 | H23 | 118.3° | 120.0° |
| N3 | C20 | N2 | O2 | 179.9° | 180.0° |
| N3 | C20 | N2 | C17 | 5.0° | 5.6° |
| N3 | C20 | N2 | C16 | 176.5° | 174.6° |
| C20 | N2 | C17 | C16 | 178.6° | 179.8° |
| C20 | N2 | C16 | C15 | 113.1° | 91.0° |
| C20 | N2 | C16 | N4 | 74.4° | 89.1° |
| N2 | C20 | N3 | H1 | 172.6° | 167.9° |
| C20 | N2 | C17 | H9 | 94.2° | 155.8° |
| C20 | N2 | C17 | H10 | 147.0° | 84.2° |
| O2 | C20 | N2 | C17 | 174.9° | 174.4° |
| O2 | C20 | N2 | C16 | 3.6° | 5.4° |
| O2 | C20 | N3 | H1 | 7.3° | 12.1° |
| C17 | N2 | C16 | C15 | 68.3° | 89.2° |
| C17 | N2 | C16 | N4 | 104.2° | 90.7° |
| N2 | C17 | H9 | H10 | 118.1° | 120.0° |
| N2 | C17 | C18 | H22 | 155.5° | 166.6° |
| N2 | C17 | C18 | H23 | 85.5° | 73.3° |
| C16 | C15 | N1 | H8 | 180.0° | 179.9° |
| C15 | C16 | N2 | N4 | 172.5° | 179.9° |
| C16 | C15 | N1 | C14 | 0.6° | 0.1° |
| C15 | C16 | N4 | C14 | 1.5° | 0.1° |
| C15 | C16 | N4 | C21 | 178.9° | 180.0° |
| N1 | C15 | C16 | N2 | 171.9° | 180.0° |
| N1 | C15 | C16 | N4 | 1.4° | 0.1° |
| C15 | N1 | C14 | N4 | 0.4° | 0.0° |
| C15 | N1 | C14 | C13 | 179.6° | 180.0° |
| N2 | C16 | N4 | C14 | 172.6° | 180.0° |
| N2 | C16 | N4 | C21 | 6.9° | 0.1° |
| N2 | C16 | C15 | H8 | 8.1° | 0.1° |
| C16 | N2 | C17 | H9 | 84.4° | 24.4° |
| C16 | N2 | C17 | H10 | 34.3° | 95.6° |
| C16 | N4 | C14 | N1 | 1.2° | 0.0° |
| C16 | N4 | C14 | C21 | 179.6° | 179.9° |
| C16 | N4 | C14 | C13 | 178.8° | 179.9° |
| C16 | N4 | C21 | C22 | 179.1° | 179.9° |
| N4 | C16 | C15 | H8 | 178.6° | 180.0° |
| C16 | N4 | C21 | H11 | 0.9° | 0.1° |
| N1 | C14 | N4 | C13 | 180.0° | 180.0° |
| N1 | C14 | N4 | C21 | 179.2° | 179.9° |
| N1 | C14 | C13 | C12 | 179.2° | 179.9° |
| N1 | C14 | C13 | H7 | 0.8° | 0.1° |
| C14 | N1 | C15 | H8 | 179.3° | 180.0° |
| C14 | N4 | C21 | C22 | 0.4° | 0.1° |
| N4 | C14 | C13 | C12 | 0.8° | 0.0° |
| N4 | C14 | C13 | H7 | 179.2° | 180.0° |
| C14 | N4 | C21 | H11 | 179.6° | 180.0° |
| C21 | N4 | C14 | C13 | 0.8° | 0.0° |
| N4 | C21 | C22 | H11 | 180.0° | 179.9° |
| N4 | C21 | C22 | C12 | 0.0° | 0.1° |
| N4 | C21 | C22 | H12 | 180.0° | 179.9° |
| C14 | C13 | C12 | H7 | 180.0° | 180.0° |
| C14 | C13 | C12 | C22 | 0.4° | 0.0° |
| C14 | C13 | C12 | C11 | 177.3° | 180.0° |
| C21 | C22 | C12 | C13 | 0.0° | 0.1° |
| C21 | C22 | C12 | H12 | 180.0° | 180.0° |
| C21 | C22 | C12 | C11 | 177.8° | 180.0° |
| C13 | C12 | C22 | C11 | 177.9° | 180.0° |
| C13 | C12 | C11 | N | 149.3° | 95.0° |
| C13 | C12 | C22 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | H20 | 90.5° | 25.0° |
| C13 | C12 | C11 | H21 | 29.1° | 144.9° |
| CL | C29 | C28 | C24 | 179.6° | 180.0° |
| CL | C29 | C28 | C27 | 179.3° | 179.5° |
| CL | C29 | C24 | C23 | 0.8° | 0.3° |
| CL | C29 | C24 | C25 | 179.1° | 180.0° |
| CL | C29 | C28 | H14 | 0.7° | 0.3° |
| C22 | C12 | C11 | N | 28.4° | 85.0° |
| C22 | C12 | C13 | H7 | 179.6° | 179.9° |
| C12 | C22 | C21 | H11 | 180.0° | 180.0° |
| C22 | C12 | C11 | H20 | 91.8° | 155.0° |
| C22 | C12 | C11 | H21 | 148.6° | 35.1° |
| C12 | C11 | N | H20 | 120.2° | 119.9° |
| C12 | C11 | N | H21 | 120.2° | 120.1° |
| C12 | C11 | N | C10 | 167.0° | 180.0° |
| C11 | C12 | C13 | H7 | 2.7° | 0.0° |
| C11 | C12 | C22 | H12 | 2.2° | 0.1° |
| C12 | C11 | N | H15 | 13.0° | 0.0° |
| C12 | C11 | H20 | H21 | 119.4° | 120.0° |
| O3 | S | C23 | O4 | 128.5° | 136.8° |
| O3 | S | C23 | N5 | 115.7° | 111.6° |
| O3 | S | C23 | C24 | 133.6° | 68.4° |
| O3 | S | O4 | N5 | 123.4° | 116.7° |
| O3 | S | N5 | C9 | 90.2° | 32.4° |
| O3 | S | N5 | C1 | 93.0° | 147.6° |
| O3 | S | C23 | H24 | 105.9° | 171.6° |
| O3 | S | C23 | H25 | 13.0° | 51.6° |
| C11 | N | C10 | H15 | 180.0° | 180.0° |
| C11 | N | C10 | C9 | 179.7° | 180.0° |
| C11 | N | C10 | O | 0.8° | 0.0° |
| N | C11 | H20 | H21 | 119.4° | 120.0° |
| C29 | C28 | C27 | H14 | 180.0° | 179.2° |
| C28 | C29 | C24 | C23 | 179.6° | 179.7° |
| C28 | C29 | C24 | C25 | 0.4° | 0.0° |
| C29 | C28 | C27 | C26 | 0.0° | 0.8° |
| C29 | C28 | C27 | H27 | 180.0° | 179.2° |
| C24 | C29 | C28 | C27 | 0.3° | 0.6° |
| C29 | C24 | C23 | S | 113.3° | 90.2° |
| C29 | C24 | C23 | C25 | 180.0° | 179.7° |
| C29 | C24 | C25 | C26 | 0.3° | 0.3° |
| C24 | C29 | C28 | H14 | 179.7° | 179.7° |
| C29 | C24 | C23 | H24 | 126.1° | 29.7° |
| C29 | C24 | C23 | H25 | 7.3° | 149.7° |
| C29 | C24 | C25 | H26 | 179.7° | 179.7° |
| C28 | C27 | C26 | H27 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.1° | 0.5° |
| C28 | C27 | C26 | H13 | 179.9° | 179.5° |
| S | C23 | C24 | H24 | 120.6° | 120.0° |
| S | C23 | C24 | H25 | 120.6° | 120.1° |
| C23 | S | O4 | N5 | 115.0° | 111.7° |
| S | C23 | C24 | C25 | 66.7° | 90.0° |
| C23 | S | N5 | C9 | 24.9° | 83.7° |
| C23 | S | N5 | C1 | 151.9° | 96.4° |
| S | C23 | H24 | H25 | 118.2° | 120.0° |
| C24 | C23 | S | O4 | 5.0° | 68.3° |
| C24 | C23 | S | N5 | 110.7° | 180.0° |
| C23 | C24 | C25 | C26 | 179.7° | 180.0° |
| C24 | C23 | H24 | H25 | 118.2° | 120.0° |
| C23 | C24 | C25 | H26 | 0.3° | 0.0° |
| N | C10 | C9 | O | 179.4° | 180.0° |
| N | C10 | C9 | N5 | 38.9° | 121.9° |
| N | C10 | C9 | C8 | 165.0° | 119.7° |
| C10 | N | C11 | H20 | 72.8° | 60.0° |
| C10 | N | C11 | H21 | 46.8° | 60.0° |
| N | C10 | C9 | H29 | 78.4° | 1.0° |
| O4 | S | N5 | C9 | 140.1° | 160.2° |
| O4 | S | N5 | C1 | 36.7° | 19.7° |
| O4 | S | C23 | H24 | 125.6° | 51.6° |
| O4 | S | C23 | H25 | 115.5° | 171.6° |
| S | N5 | C9 | C10 | 105.1° | 3.9° |
| S | N5 | C9 | C1 | 177.1° | 180.0° |
| S | N5 | C9 | C8 | 127.8° | 115.7° |
| S | N5 | C1 | C | 113.4° | 15.6° |
| S | N5 | C1 | C2 | 119.8° | 135.7° |
| S | N5 | C1 | H19 | 4.4° | 104.3° |
| N5 | S | C23 | H24 | 9.9° | 60.0° |
| N5 | S | C23 | H25 | 128.7° | 60.0° |
| S | N5 | C9 | H29 | 11.8° | 124.7° |
| C24 | C25 | C26 | C27 | 0.1° | 0.1° |
| C24 | C25 | C26 | H26 | 180.0° | 180.0° |
| C24 | C25 | C26 | H13 | 179.9° | 180.0° |
| C25 | C24 | C23 | H24 | 53.8° | 150.0° |
| C25 | C24 | C23 | H25 | 172.7° | 30.0° |
| C10 | C9 | N5 | C8 | 127.1° | 119.6° |
| C10 | C9 | N5 | H29 | 116.9° | 120.8° |
| C10 | C9 | N5 | C1 | 77.8° | 176.1° |
| C10 | C9 | C8 | H29 | 116.6° | 120.7° |
| C10 | C9 | C8 | C7 | 118.3° | 167.0° |
| C10 | C9 | C8 | H5 | 2.7° | 72.6° |
| C10 | C9 | C8 | H6 | 120.7° | 46.7° |
| C9 | C10 | N | H15 | 0.2° | 0.0° |
| O | C10 | C9 | N5 | 140.6° | 58.1° |
| O | C10 | C9 | C8 | 14.4° | 60.3° |
| O | C10 | N | H15 | 179.2° | 179.9° |
| O | C10 | C9 | H29 | 102.1° | 179.0° |
| C27 | C26 | C25 | H13 | 180.0° | 179.9° |
| C26 | C27 | C28 | H14 | 180.0° | 180.0° |
| C27 | C26 | C25 | H26 | 180.0° | 180.0° |
| N5 | C9 | C8 | H29 | 116.4° | 119.7° |
| C9 | N5 | C1 | C | 69.7° | 164.4° |
| C9 | N5 | C1 | C2 | 57.0° | 44.4° |
| N5 | C9 | C8 | C7 | 8.7° | 47.4° |
| N5 | C9 | C8 | H5 | 129.7° | 167.8° |
| N5 | C9 | C8 | H6 | 112.3° | 72.9° |
| C9 | N5 | C1 | H19 | 172.4° | 75.6° |
| C1 | N5 | C9 | C8 | 49.3° | 64.3° |
| N5 | C1 | C | C2 | 124.4° | 120.2° |
| N5 | C1 | C | H19 | 118.2° | 119.9° |
| N5 | C1 | C2 | H19 | 115.5° | 120.0° |
| N5 | C1 | C2 | C7 | 23.5° | 11.2° |
| N5 | C1 | C2 | C3 | 150.6° | 168.6° |
| N5 | C1 | C | H16 | 180.0° | 162.7° |
| N5 | C1 | C | H17 | 60.0° | 77.3° |
| N5 | C1 | C | H18 | 60.0° | 42.7° |
| C1 | N5 | C9 | H29 | 165.3° | 55.3° |
| C9 | C8 | C7 | H5 | 121.0° | 120.4° |
| C9 | C8 | C7 | H6 | 121.0° | 120.3° |
| C9 | C8 | C7 | C2 | 21.6° | 19.9° |
| C9 | C8 | C7 | C6 | 162.7° | 160.5° |
| C9 | C8 | H5 | H6 | 116.8° | 119.3° |
| C25 | C26 | C27 | H27 | 179.9° | 179.5° |
| C | C1 | C2 | H19 | 117.3° | 119.9° |
| C | C1 | C2 | C7 | 103.6° | 131.3° |
| C | C1 | C2 | C3 | 82.3° | 48.6° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H18 | 120.0° | 120.0° |
| C1 | C | H17 | H18 | 120.0° | 120.0° |
| C1 | C2 | C7 | C8 | 13.6° | 1.0° |
| C1 | C2 | C7 | C3 | 174.1° | 179.9° |
| C1 | C2 | C7 | C6 | 170.7° | 179.4° |
| C1 | C2 | C3 | C4 | 171.9° | 179.3° |
| C2 | C1 | C | H16 | 55.6° | 42.5° |
| C2 | C1 | C | H17 | 175.6° | 162.5° |
| C2 | C1 | C | H18 | 64.4° | 77.5° |
| C1 | C2 | C3 | H28 | 8.1° | 0.6° |
| C8 | C7 | C2 | C6 | 175.7° | 179.6° |
| C8 | C7 | C2 | C3 | 172.3° | 178.9° |
| C8 | C7 | C6 | C5 | 173.5° | 179.4° |
| C8 | C7 | C6 | H4 | 6.4° | 0.6° |
| C7 | C8 | H5 | H6 | 116.8° | 119.3° |
| C7 | C8 | C9 | H29 | 125.0° | 72.3° |
| C7 | C2 | C3 | C4 | 2.3° | 0.9° |
| C2 | C7 | C6 | C5 | 2.2° | 0.3° |
| C2 | C7 | C6 | H4 | 177.9° | 179.7° |
| C2 | C7 | C8 | H5 | 99.4° | 140.3° |
| C2 | C7 | C8 | H6 | 142.6° | 100.5° |
| C7 | C2 | C1 | H19 | 139.1° | 108.7° |
| C7 | C2 | C3 | H28 | 177.7° | 179.3° |
| C3 | C2 | C7 | C6 | 3.4° | 0.7° |
| C2 | C3 | C4 | H28 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.1° | 0.5° |
| C2 | C3 | C4 | H2 | 179.9° | 179.7° |
| C3 | C2 | C1 | H19 | 35.0° | 71.4° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.3° | 0.1° |
| C7 | C6 | C5 | H3 | 179.7° | 179.8° |
| C6 | C7 | C8 | H5 | 76.2° | 40.1° |
| C6 | C7 | C8 | H6 | 41.7° | 79.2° |
| C3 | C4 | C5 | C6 | 1.4° | 0.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.8° |
| C3 | C4 | C5 | H3 | 178.5° | 179.9° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | H2 | 178.6° | 179.8° |
| C4 | C5 | C6 | H4 | 179.7° | 179.9° |
| C5 | C4 | C3 | H28 | 179.8° | 179.7° |
| H2 | C4 | C5 | H3 | 1.4° | 0.2° |
| H2 | C4 | C3 | H28 | 0.2° | 0.1° |
| H3 | C5 | C6 | H4 | 0.3° | 0.1° |
| H5 | C8 | C9 | H29 | 113.9° | 48.1° |
| H6 | C8 | C9 | H29 | 4.0° | 167.4° |
| H9 | C17 | C18 | H22 | 34.9° | 73.5° |
| H9 | C17 | C18 | H23 | 153.8° | 46.6° |
| H10 | C17 | C18 | H22 | 83.8° | 46.6° |
| H10 | C17 | C18 | H23 | 35.1° | 166.6° |
| H11 | C21 | C22 | H12 | 0.0° | 0.0° |
| H13 | C26 | C25 | H26 | 0.0° | 0.0° |
| H13 | C26 | C27 | H27 | 0.1° | 0.6° |
| H14 | C28 | C27 | H27 | 0.0° | 0.0° |
| H15 | N | C11 | H20 | 107.2° | 119.9° |
| H15 | N | C11 | H21 | 133.2° | 120.1° |
| H16 | C | H17 | H18 | 120.0° | 120.0° |
| H16 | C | C1 | H19 | 61.9° | 77.4° |
| H17 | C | C1 | H19 | 58.2° | 42.6° |
| H18 | C | C1 | H19 | 178.1° | 162.6° |
