A1ANL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.55Å | |
| N | C3 | sing | 1.47Å | 1.46Å | |
| C4 | N | sing | 1.38Å | 1.37Å | |
| C4 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| N1 | C5 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| N3 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.47Å | |
| C8 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| S | C11 | sing | 1.76Å | 1.76Å | |
| O | S | doub | 1.42Å | 1.43Å | |
| O1 | S | doub | 1.42Å | 1.43Å | |
| N4 | S | sing | 1.66Å | 1.61Å | |
| C12 | N4 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| O2 | C13 | sing | 1.43Å | 1.42Å | |
| C11 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C16 | doub | 1.36Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.46Å | 1.44Å | Aromatic |
| C17 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
| C6 | C17 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | S1 | sing | 1.77Å | 1.73Å | |
| O3 | S1 | doub | 1.42Å | 1.45Å | |
| S1 | O4 | doub | 1.42Å | 1.44Å | |
| C24 | S1 | sing | 1.82Å | 1.75Å | |
| C25 | C24 | sing | 1.54Å | 1.52Å | |
| C26 | C25 | sing | 1.52Å | 1.52Å | |
| C21 | C26 | sing | 1.50Å | 1.51Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C3 | H | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| O2 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 110.5° | 109.5° |
| C | C1 | C3 | 111.5° | 109.5° |
| C | C1 | H5 | 107.8° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| C2 | C1 | C3 | 111.4° | 109.5° |
| C2 | C1 | H5 | 107.9° | 109.5° |
| C1 | C2 | H6 | 109.5° | 109.5° |
| C1 | C2 | H7 | 109.4° | 109.4° |
| C1 | C2 | H8 | 109.5° | 109.4° |
| C1 | C3 | N | 110.2° | 109.5° |
| C1 | C3 | C18 | 111.9° | 109.5° |
| C1 | C3 | H | 106.9° | 109.5° |
| C3 | C1 | H5 | 107.5° | 109.5° |
| C3 | N | C4 | 124.7° | 120.0° |
| N | C3 | C18 | 112.3° | 109.5° |
| N | C3 | H | 108.0° | 109.4° |
| C3 | N | H9 | 105.6° | 120.0° |
| N | C4 | N1 | 119.5° | 120.9° |
| N | C4 | C17 | 121.6° | 120.8° |
| C4 | N | H9 | 105.5° | 120.0° |
| C4 | N1 | C5 | 118.1° | 121.1° |
| N1 | C4 | C17 | 118.9° | 118.3° |
| N1 | C5 | N2 | 128.9° | 122.7° |
| N1 | C5 | H10 | 115.5° | 118.7° |
| C5 | N2 | C6 | 111.8° | 120.8° |
| N2 | C5 | H10 | 115.6° | 118.6° |
| N2 | C6 | N3 | 126.5° | 134.1° |
| N2 | C6 | C17 | 125.6° | 118.6° |
| C6 | N3 | C7 | 108.9° | 109.9° |
| N3 | C6 | C17 | 107.9° | 107.4° |
| C6 | N3 | H1 | 125.6° | 125.0° |
| N3 | C7 | C8 | 122.2° | 125.3° |
| N3 | C7 | C16 | 109.0° | 109.5° |
| C7 | N3 | H1 | 125.6° | 125.0° |
| C7 | C8 | C9 | 120.1° | 120.1° |
| C7 | C8 | C15 | 120.9° | 120.2° |
| C8 | C7 | C16 | 128.8° | 125.2° |
| C8 | C9 | C10 | 120.8° | 119.9° |
| C9 | C8 | C15 | 118.9° | 119.7° |
| C8 | C9 | H11 | 119.6° | 120.0° |
| C9 | C10 | C11 | 119.3° | 120.2° |
| C9 | C10 | H12 | 120.4° | 119.9° |
| C10 | C9 | H11 | 119.6° | 120.1° |
| C10 | C11 | S | 119.5° | 119.9° |
| C10 | C11 | C14 | 120.9° | 120.3° |
| C11 | C10 | H12 | 120.4° | 119.9° |
| C11 | S | O | 106.8° | 106.4° |
| C11 | S | O1 | 107.9° | 106.4° |
| C11 | S | N4 | 107.0° | 107.2° |
| S | C11 | C14 | 119.6° | 119.8° |
| O | S | O1 | 120.0° | 123.1° |
| O | S | N4 | 107.4° | 106.4° |
| O1 | S | N4 | 107.2° | 106.4° |
| S | N4 | C12 | 119.5° | 120.0° |
| S | N4 | H13 | 106.9° | 120.0° |
| N4 | C12 | C13 | 111.2° | 109.5° |
| C12 | N4 | H13 | 106.9° | 120.0° |
| N4 | C12 | H15 | 109.0° | 109.5° |
| N4 | C12 | H14 | 109.0° | 109.4° |
| C12 | C13 | O2 | 110.9° | 109.5° |
| C12 | C13 | H16 | 109.1° | 109.4° |
| C12 | C13 | H17 | 109.1° | 109.4° |
| C13 | C12 | H15 | 109.0° | 109.5° |
| C13 | C12 | H14 | 109.0° | 109.5° |
| O2 | C13 | H16 | 109.1° | 109.5° |
| O2 | C13 | H17 | 109.1° | 109.5° |
| C13 | O2 | H18 | 109.5° | 114.0° |
| C11 | C14 | C15 | 119.4° | 120.1° |
| C11 | C14 | H19 | 120.3° | 119.9° |
| C14 | C15 | C8 | 120.8° | 119.9° |
| C14 | C15 | H20 | 119.6° | 120.1° |
| C15 | C14 | H19 | 120.3° | 119.9° |
| C8 | C15 | H20 | 119.6° | 120.1° |
| C7 | C16 | C17 | 107.2° | 106.7° |
| C7 | C16 | H21 | 126.4° | 126.6° |
| C16 | C17 | C4 | 136.3° | 134.9° |
| C16 | C17 | C6 | 107.0° | 106.5° |
| C17 | C16 | H21 | 126.4° | 126.6° |
| C4 | C17 | C6 | 116.6° | 118.6° |
| C3 | C18 | C19 | 121.3° | 120.3° |
| C3 | C18 | C23 | 120.6° | 120.3° |
| C18 | C3 | H | 107.3° | 109.4° |
| C18 | C19 | C20 | 121.0° | 119.9° |
| C19 | C18 | C23 | 118.0° | 119.5° |
| C18 | C19 | H22 | 119.5° | 120.1° |
| C19 | C20 | C21 | 122.0° | 121.0° |
| C19 | C20 | H23 | 119.0° | 119.5° |
| C20 | C19 | H22 | 119.5° | 120.0° |
| C20 | C21 | C22 | 116.5° | 118.8° |
| C20 | C21 | C26 | 120.0° | 116.5° |
| C21 | C20 | H23 | 119.0° | 119.5° |
| C21 | C22 | C23 | 121.7° | 120.2° |
| C21 | C22 | S1 | 122.6° | 121.9° |
| C22 | C21 | C26 | 123.5° | 124.7° |
| C22 | C23 | C18 | 120.8° | 120.6° |
| C23 | C22 | S1 | 115.7° | 117.9° |
| C22 | C23 | H24 | 119.6° | 119.7° |
| C18 | C23 | H24 | 119.6° | 119.7° |
| C22 | S1 | O3 | 108.8° | 104.4° |
| C22 | S1 | O4 | 108.0° | 104.4° |
| C22 | S1 | C24 | 103.7° | 103.7° |
| O3 | S1 | O4 | 117.5° | 121.2° |
| O3 | S1 | C24 | 108.7° | 110.6° |
| O4 | S1 | C24 | 109.3° | 110.6° |
| S1 | C24 | C25 | 110.8° | 107.0° |
| S1 | C24 | H26 | 109.1° | 109.9° |
| S1 | C24 | H25 | 109.1° | 109.9° |
| C24 | C25 | C26 | 109.2° | 109.1° |
| C25 | C24 | H26 | 109.2° | 110.0° |
| C25 | C24 | H25 | 109.1° | 110.0° |
| C24 | C25 | H27 | 109.5° | 109.6° |
| C24 | C25 | H28 | 109.6° | 109.5° |
| C25 | C26 | C21 | 112.8° | 113.8° |
| C25 | C26 | H29 | 108.6° | 108.7° |
| C25 | C26 | H30 | 108.6° | 108.6° |
| C26 | C25 | H27 | 109.5° | 109.6° |
| C26 | C25 | H28 | 109.5° | 109.5° |
| C21 | C26 | H29 | 108.7° | 108.6° |
| C21 | C26 | H30 | 108.6° | 108.6° |
| H16 | C13 | H17 | 109.4° | 109.5° |
| H26 | C24 | H25 | 109.5° | 109.9° |
| H29 | C26 | H30 | 109.5° | 108.5° |
| H27 | C25 | H28 | 109.5° | 109.6° |
| H6 | C2 | H7 | 109.5° | 109.5° |
| H6 | C2 | H8 | 109.4° | 109.5° |
| H7 | C2 | H8 | 109.5° | 109.5° |
| H2 | C | H4 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.4° |
| H4 | C | H3 | 109.5° | 109.4° |
| H15 | C12 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C3 | 124.6° | 120.0° |
| C | C1 | C2 | H5 | 117.6° | 120.0° |
| C | C1 | C3 | H5 | 118.0° | 120.0° |
| C | C1 | C3 | N | 58.2° | 175.0° |
| C | C1 | C3 | C18 | 176.0° | 65.0° |
| C | C1 | C3 | H | 58.8° | 55.0° |
| C | C1 | C2 | H6 | 180.0° | 60.0° |
| C | C1 | C2 | H7 | 60.0° | 60.0° |
| C | C1 | C2 | H8 | 60.0° | 180.0° |
| C1 | C | H2 | H4 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C1 | C | H4 | H3 | 120.0° | 120.0° |
| C2 | C1 | C3 | H5 | 118.0° | 120.0° |
| C2 | C1 | C3 | N | 177.7° | 65.0° |
| C2 | C1 | C3 | C18 | 52.0° | 55.0° |
| C2 | C1 | C3 | H | 65.2° | 175.0° |
| C1 | C2 | H6 | H7 | 120.0° | 120.0° |
| C1 | C2 | H6 | H8 | 120.0° | 120.0° |
| C1 | C2 | H7 | H8 | 120.0° | 119.9° |
| C2 | C1 | C | H2 | 180.0° | 180.0° |
| C2 | C1 | C | H4 | 60.0° | 60.0° |
| C2 | C1 | C | H3 | 60.0° | 60.0° |
| C1 | C3 | N | C18 | 125.5° | 120.0° |
| C1 | C3 | N | H | 116.4° | 120.0° |
| C1 | C3 | N | C4 | 144.6° | 85.0° |
| C1 | C3 | C18 | H | 116.9° | 120.0° |
| C1 | C3 | C18 | C19 | 109.8° | 80.0° |
| C1 | C3 | C18 | C23 | 73.6° | 99.5° |
| C3 | C1 | C2 | H6 | 55.4° | 60.0° |
| C3 | C1 | C2 | H7 | 64.6° | 180.0° |
| C3 | C1 | C2 | H8 | 175.4° | 60.1° |
| C3 | C1 | C | H2 | 55.5° | 60.0° |
| C3 | C1 | C | H4 | 175.5° | 180.0° |
| C3 | C1 | C | H3 | 64.5° | 60.0° |
| C1 | C3 | N | H9 | 93.4° | 95.0° |
| C3 | N | C4 | H9 | 122.1° | 180.0° |
| C3 | N | C4 | N1 | 17.9° | 0.0° |
| C3 | N | C4 | C17 | 165.0° | 180.0° |
| N | C3 | C18 | H | 118.4° | 119.9° |
| N | C3 | C18 | C19 | 125.6° | 40.0° |
| N | C3 | C18 | C23 | 51.0° | 140.5° |
| N | C3 | C1 | H5 | 59.7° | 55.0° |
| N | C4 | N1 | C17 | 177.1° | 179.9° |
| N | C4 | N1 | C5 | 173.5° | 179.9° |
| N | C4 | C17 | C16 | 4.4° | 0.1° |
| N | C4 | C17 | C6 | 172.8° | 180.0° |
| C4 | N | C3 | C18 | 89.9° | 155.0° |
| C4 | N | C3 | H | 28.1° | 35.1° |
| C4 | N1 | C5 | N2 | 1.0° | 0.0° |
| N1 | C4 | C17 | C16 | 178.6° | 180.0° |
| N1 | C4 | C17 | C6 | 4.3° | 0.0° |
| C4 | N1 | C5 | H10 | 179.0° | 180.0° |
| N1 | C4 | N | H9 | 140.0° | 180.0° |
| N1 | C5 | N2 | H10 | 180.0° | 180.0° |
| N1 | C5 | N2 | C6 | 0.9° | 0.0° |
| C5 | N1 | C4 | C17 | 3.7° | 0.0° |
| C5 | N2 | C6 | N3 | 179.9° | 180.0° |
| C5 | N2 | C6 | C17 | 0.1° | 0.0° |
| N2 | C6 | N3 | C17 | 179.9° | 180.0° |
| N2 | C6 | N3 | C7 | 179.9° | 180.0° |
| N2 | C6 | C17 | C16 | 179.7° | 180.0° |
| N2 | C6 | C17 | C4 | 2.4° | 0.0° |
| N2 | C6 | N3 | H1 | 0.2° | 0.0° |
| C6 | N2 | C5 | H10 | 179.1° | 180.0° |
| C6 | N3 | C7 | H1 | 180.0° | 180.0° |
| C6 | N3 | C7 | C8 | 179.6° | 180.0° |
| C6 | N3 | C7 | C16 | 0.5° | 0.0° |
| N3 | C6 | C17 | C16 | 0.4° | 0.0° |
| N3 | C6 | C17 | C4 | 177.5° | 180.0° |
| N3 | C7 | C8 | C16 | 179.8° | 180.0° |
| N3 | C7 | C8 | C9 | 163.0° | 0.1° |
| N3 | C7 | C8 | C15 | 21.2° | 179.8° |
| N3 | C7 | C16 | C17 | 0.8° | 0.0° |
| C7 | N3 | C6 | C17 | 0.1° | 0.0° |
| N3 | C7 | C16 | H21 | 179.3° | 180.0° |
| C7 | C8 | C9 | C15 | 175.9° | 179.8° |
| C7 | C8 | C9 | C10 | 174.9° | 179.7° |
| C7 | C8 | C15 | C14 | 174.9° | 180.0° |
| C8 | C7 | C16 | C17 | 179.4° | 180.0° |
| C8 | C7 | N3 | H1 | 0.4° | 0.0° |
| C7 | C8 | C15 | H20 | 5.1° | 0.0° |
| C8 | C7 | C16 | H21 | 0.6° | 0.0° |
| C7 | C8 | C9 | H11 | 5.1° | 0.0° |
| C8 | C9 | C10 | H11 | 180.0° | 179.7° |
| C8 | C9 | C10 | C11 | 0.6° | 0.6° |
| C9 | C8 | C15 | C14 | 1.0° | 0.2° |
| C9 | C8 | C7 | C16 | 16.8° | 180.0° |
| C8 | C9 | C10 | H12 | 179.4° | 179.7° |
| C9 | C8 | C15 | H20 | 179.0° | 179.8° |
| C9 | C10 | C11 | H12 | 180.0° | 179.7° |
| C9 | C10 | C11 | S | 178.3° | 180.0° |
| C9 | C10 | C11 | C14 | 0.3° | 0.3° |
| C10 | C9 | C8 | C15 | 1.0° | 0.5° |
| C10 | C11 | S | C14 | 178.6° | 179.7° |
| C10 | C11 | S | O | 95.3° | 156.5° |
| C10 | C11 | S | O1 | 35.0° | 23.6° |
| C10 | C11 | S | N4 | 150.0° | 90.0° |
| C10 | C11 | C14 | C15 | 0.3° | 0.0° |
| C10 | C11 | C14 | H19 | 179.7° | 179.9° |
| C11 | C10 | C9 | H11 | 179.3° | 179.7° |
| C11 | S | O | O1 | 123.0° | 122.9° |
| C11 | S | O | N4 | 114.4° | 114.1° |
| C11 | S | O1 | N4 | 114.9° | 114.1° |
| C11 | S | N4 | C12 | 83.1° | 65.0° |
| S | C11 | C14 | C15 | 178.3° | 179.7° |
| S | C11 | C10 | H12 | 1.7° | 0.3° |
| S | C11 | C14 | H19 | 1.7° | 0.3° |
| C11 | S | N4 | H13 | 155.5° | 115.0° |
| O | S | O1 | N4 | 122.6° | 123.0° |
| O | S | N4 | C12 | 31.3° | 48.5° |
| O | S | C11 | C14 | 83.4° | 23.9° |
| O | S | N4 | H13 | 90.2° | 131.4° |
| O1 | S | N4 | C12 | 161.4° | 178.6° |
| O1 | S | C11 | C14 | 146.4° | 156.7° |
| O1 | S | N4 | H13 | 40.0° | 1.5° |
| S | N4 | C12 | H13 | 121.4° | 180.0° |
| S | N4 | C12 | C13 | 140.8° | 165.0° |
| N4 | S | C11 | C14 | 31.3° | 89.7° |
| S | N4 | C12 | H15 | 20.5° | 45.0° |
| S | N4 | C12 | H14 | 99.0° | 75.0° |
| N4 | C12 | C13 | H15 | 120.3° | 120.0° |
| N4 | C12 | C13 | H14 | 120.3° | 120.0° |
| N4 | C12 | C13 | O2 | 179.4° | 65.0° |
| N4 | C12 | C13 | H16 | 59.2° | 175.0° |
| N4 | C12 | C13 | H17 | 60.4° | 55.0° |
| N4 | C12 | H15 | H14 | 119.2° | 120.0° |
| C12 | C13 | O2 | H16 | 120.3° | 119.9° |
| C12 | C13 | O2 | H17 | 120.2° | 120.0° |
| C12 | C13 | H16 | H17 | 119.4° | 120.0° |
| C13 | C12 | N4 | H13 | 97.8° | 15.0° |
| C13 | C12 | H15 | H14 | 119.2° | 120.0° |
| C12 | C13 | O2 | H18 | 180.0° | 180.0° |
| O2 | C13 | H16 | H17 | 119.3° | 120.1° |
| O2 | C13 | C12 | H15 | 60.3° | 175.0° |
| O2 | C13 | C12 | H14 | 59.2° | 55.0° |
| C11 | C14 | C15 | H19 | 180.0° | 180.0° |
| C11 | C14 | C15 | C8 | 0.6° | 0.0° |
| C14 | C11 | C10 | H12 | 179.7° | 180.0° |
| C11 | C14 | C15 | H20 | 179.4° | 180.0° |
| C14 | C15 | C8 | H20 | 180.0° | 180.0° |
| C15 | C8 | C7 | C16 | 159.0° | 0.2° |
| C8 | C15 | C14 | H19 | 179.4° | 180.0° |
| C15 | C8 | C9 | H11 | 179.0° | 179.8° |
| C7 | C16 | C17 | H21 | 180.0° | 180.0° |
| C7 | C16 | C17 | C4 | 176.6° | 180.0° |
| C7 | C16 | C17 | C6 | 0.7° | 0.0° |
| C16 | C7 | N3 | H1 | 179.4° | 180.0° |
| C16 | C17 | C4 | C6 | 177.1° | 180.0° |
| C17 | C4 | N | H9 | 42.9° | 0.1° |
| C4 | C17 | C16 | H21 | 3.4° | 0.0° |
| C17 | C6 | N3 | H1 | 179.9° | 180.0° |
| C6 | C17 | C16 | H21 | 179.3° | 180.0° |
| C3 | C18 | C19 | C23 | 176.7° | 179.5° |
| C3 | C18 | C19 | C20 | 177.0° | 179.7° |
| C3 | C18 | C23 | C22 | 177.0° | 179.8° |
| C3 | C18 | C19 | H22 | 3.0° | 0.3° |
| C3 | C18 | C23 | H24 | 3.0° | 0.3° |
| C18 | C3 | C1 | H5 | 66.0° | 175.0° |
| C18 | C3 | N | H9 | 32.1° | 25.0° |
| C18 | C19 | C20 | H22 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.6° | 0.0° |
| C19 | C18 | C23 | C22 | 0.4° | 0.8° |
| C18 | C19 | C20 | H23 | 179.4° | 179.7° |
| C19 | C18 | C23 | H24 | 179.6° | 179.8° |
| C19 | C18 | C3 | H | 7.1° | 160.0° |
| C19 | C20 | C21 | H23 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 1.4° | 0.4° |
| C20 | C19 | C18 | C23 | 0.4° | 0.2° |
| C19 | C20 | C21 | C26 | 177.4° | 178.6° |
| C20 | C21 | C22 | C26 | 178.7° | 178.9° |
| C20 | C21 | C22 | C23 | 1.4° | 0.9° |
| C20 | C21 | C22 | S1 | 174.7° | 178.9° |
| C20 | C21 | C26 | C25 | 153.0° | 156.4° |
| C20 | C21 | C26 | H29 | 86.5° | 82.4° |
| C20 | C21 | C26 | H30 | 32.5° | 35.4° |
| C21 | C20 | C19 | H22 | 179.4° | 180.0° |
| C21 | C22 | C23 | S1 | 176.4° | 179.8° |
| C21 | C22 | C23 | C18 | 0.6° | 1.1° |
| C21 | C22 | S1 | O3 | 128.8° | 103.4° |
| C21 | C22 | S1 | O4 | 102.6° | 128.4° |
| C21 | C22 | S1 | C24 | 13.3° | 12.5° |
| C22 | C21 | C26 | C25 | 28.3° | 24.7° |
| C22 | C21 | C20 | H23 | 178.5° | 179.3° |
| C22 | C21 | C26 | H29 | 92.2° | 96.5° |
| C22 | C21 | C26 | H30 | 148.8° | 145.8° |
| C21 | C22 | C23 | H24 | 179.4° | 179.4° |
| C22 | C23 | C18 | H24 | 180.0° | 179.5° |
| C23 | C22 | S1 | O3 | 54.8° | 76.4° |
| C23 | C22 | S1 | O4 | 73.8° | 51.8° |
| C23 | C22 | S1 | C24 | 170.3° | 167.7° |
| C23 | C22 | C21 | C26 | 177.3° | 177.9° |
| C18 | C23 | C22 | S1 | 175.8° | 178.7° |
| C23 | C18 | C19 | H22 | 179.7° | 179.8° |
| C23 | C18 | C3 | H | 169.5° | 20.5° |
| C22 | S1 | O3 | O4 | 123.0° | 117.1° |
| C22 | S1 | O3 | C24 | 112.3° | 110.9° |
| C22 | S1 | O4 | C24 | 112.2° | 110.9° |
| C22 | S1 | C24 | C25 | 43.5° | 44.9° |
| S1 | C22 | C21 | C26 | 6.5° | 2.3° |
| C22 | S1 | C24 | H26 | 76.7° | 164.3° |
| C22 | S1 | C24 | H25 | 163.7° | 74.6° |
| S1 | C22 | C23 | H24 | 4.2° | 0.8° |
| O3 | S1 | O4 | C24 | 124.4° | 132.0° |
| O3 | S1 | C24 | C25 | 159.2° | 66.5° |
| O3 | S1 | C24 | H26 | 38.9° | 52.9° |
| O3 | S1 | C24 | H25 | 80.6° | 174.0° |
| O4 | S1 | C24 | C25 | 71.4° | 156.3° |
| O4 | S1 | C24 | H26 | 168.3° | 84.3° |
| O4 | S1 | C24 | H25 | 48.8° | 36.9° |
| S1 | C24 | C25 | H26 | 120.2° | 119.3° |
| S1 | C24 | C25 | H25 | 120.2° | 119.4° |
| S1 | C24 | C25 | C26 | 69.6° | 71.4° |
| S1 | C24 | H26 | H25 | 119.4° | 121.1° |
| S1 | C24 | C25 | H27 | 170.5° | 48.5° |
| S1 | C24 | C25 | H28 | 50.4° | 168.7° |
| C24 | C25 | C26 | H27 | 119.9° | 120.0° |
| C24 | C25 | C26 | H28 | 120.0° | 119.8° |
| C24 | C25 | C26 | C21 | 60.2° | 61.6° |
| C25 | C24 | H26 | H25 | 119.4° | 121.3° |
| C24 | C25 | C26 | H29 | 60.4° | 59.5° |
| C24 | C25 | C26 | H30 | 179.4° | 177.3° |
| C24 | C25 | H27 | H28 | 120.1° | 120.1° |
| C25 | C26 | C21 | H29 | 120.5° | 121.2° |
| C25 | C26 | C21 | H30 | 120.5° | 121.1° |
| C26 | C25 | C24 | H26 | 50.7° | 169.2° |
| C26 | C25 | C24 | H25 | 170.2° | 48.0° |
| C25 | C26 | H29 | H30 | 118.5° | 117.9° |
| C26 | C25 | H27 | H28 | 120.1° | 120.2° |
| C26 | C21 | C20 | H23 | 2.7° | 1.7° |
| C21 | C26 | H29 | H30 | 118.5° | 117.9° |
| C21 | C26 | C25 | H27 | 179.9° | 58.3° |
| C21 | C26 | C25 | H28 | 59.8° | 178.6° |
| H12 | C10 | C9 | H11 | 0.7° | 0.0° |
| H16 | C13 | C12 | H15 | 179.5° | 55.0° |
| H16 | C13 | C12 | H14 | 61.0° | 65.0° |
| H16 | C13 | O2 | H18 | 59.7° | 60.1° |
| H17 | C13 | C12 | H15 | 59.9° | 65.0° |
| H17 | C13 | C12 | H14 | 179.4° | 175.0° |
| H17 | C13 | O2 | H18 | 59.8° | 60.0° |
| H20 | C15 | C14 | H19 | 0.6° | 0.0° |
| H23 | C20 | C19 | H22 | 0.6° | 0.4° |
| H26 | C24 | C25 | H27 | 69.3° | 70.8° |
| H26 | C24 | C25 | H28 | 170.6° | 49.4° |
| H25 | C24 | C25 | H27 | 50.3° | 167.9° |
| H25 | C24 | C25 | H28 | 69.8° | 71.9° |
| H29 | C26 | C25 | H27 | 59.6° | 179.5° |
| H29 | C26 | C25 | H28 | 179.6° | 60.3° |
| H30 | C26 | C25 | H27 | 59.4° | 62.7° |
| H30 | C26 | C25 | H28 | 60.6° | 57.5° |
| H | C3 | C1 | H5 | 176.8° | 65.0° |
| H | C3 | N | H9 | 150.2° | 145.0° |
| H5 | C1 | C2 | H6 | 62.4° | 180.0° |
| H5 | C1 | C2 | H7 | 177.6° | 60.0° |
| H5 | C1 | C2 | H8 | 57.6° | 60.0° |
| H5 | C1 | C | H2 | 62.3° | 60.0° |
| H5 | C1 | C | H4 | 57.7° | 60.0° |
| H5 | C1 | C | H3 | 177.7° | 180.0° |
| H6 | C2 | H7 | H8 | 120.0° | 120.1° |
| H2 | C | H4 | H3 | 120.0° | 119.9° |
| H13 | N4 | C12 | H15 | 141.9° | 135.0° |
| H13 | N4 | C12 | H14 | 22.5° | 105.0° |
