A1AN3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.55Å | |
| N | C3 | sing | 1.47Å | 1.45Å | |
| C4 | N | sing | 1.38Å | 1.35Å | |
| C4 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| N1 | C5 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| N2 | C6 | sing | 1.33Å | 1.36Å | 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 | N4 | sing | 1.32Å | 1.34Å | Aromatic |
| N4 | C10 | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C10 | sing | 1.38Å | 1.34Å | |
| N5 | C11 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| O | C12 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | sing | 1.54Å | 1.54Å | |
| C13 | N5 | sing | 1.47Å | 1.46Å | |
| C10 | N6 | sing | 1.33Å | 1.35Å | Aromatic |
| N6 | C14 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C15 | doub | 1.36Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.46Å | 1.43Å | Aromatic |
| C16 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C16 | doub | 1.41Å | 1.39Å | Aromatic |
| C3 | C17 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | S | sing | 1.77Å | 1.76Å | |
| O1 | S | doub | 1.42Å | 1.45Å | |
| S | O2 | doub | 1.42Å | 1.43Å | |
| C23 | S | sing | 1.82Å | 1.76Å | |
| C24 | C23 | sing | 1.54Å | 1.52Å | |
| C25 | C24 | sing | 1.52Å | 1.52Å | |
| C20 | C25 | sing | 1.50Å | 1.51Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C3 | H | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| O | H15 | sing | 0.97Å | 0.95Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 110.5° | 109.5° |
| C | C1 | C3 | 110.9° | 109.5° |
| C | C1 | H5 | 107.8° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.4° |
| C1 | C | H2 | 109.5° | 109.5° |
| C2 | C1 | C3 | 111.7° | 109.5° |
| C2 | C1 | H5 | 108.1° | 109.4° |
| C1 | C2 | H7 | 109.5° | 109.5° |
| C1 | C2 | H6 | 109.4° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.5° |
| C1 | C3 | N | 110.2° | 109.5° |
| C1 | C3 | C17 | 113.4° | 109.5° |
| C1 | C3 | H | 106.8° | 109.5° |
| C3 | C1 | H5 | 107.8° | 109.5° |
| C3 | N | C4 | 124.6° | 120.0° |
| N | C3 | C17 | 111.2° | 109.4° |
| N | C3 | H | 107.9° | 109.5° |
| C3 | N | H9 | 105.6° | 120.0° |
| N | C4 | N1 | 119.7° | 120.8° |
| N | C4 | C16 | 121.0° | 120.8° |
| C4 | N | H9 | 105.6° | 120.0° |
| C4 | N1 | C5 | 117.9° | 121.1° |
| N1 | C4 | C16 | 119.1° | 118.4° |
| N1 | C5 | N2 | 128.7° | 122.7° |
| N1 | C5 | H10 | 115.7° | 118.7° |
| C5 | N2 | C6 | 112.3° | 120.7° |
| N2 | C5 | H10 | 115.6° | 118.6° |
| N2 | C6 | N3 | 126.1° | 134.1° |
| N2 | C6 | C16 | 125.6° | 118.5° |
| C6 | N3 | C7 | 108.4° | 110.0° |
| N3 | C6 | C16 | 108.3° | 107.4° |
| C6 | N3 | H1 | 125.8° | 125.0° |
| N3 | C7 | C8 | 121.7° | 125.3° |
| N3 | C7 | C15 | 109.0° | 109.4° |
| C7 | N3 | H1 | 125.8° | 125.1° |
| C7 | C8 | C9 | 121.4° | 120.8° |
| C7 | C8 | C14 | 122.9° | 120.9° |
| C8 | C7 | C15 | 129.2° | 125.3° |
| C8 | C9 | N4 | 123.2° | 119.0° |
| C9 | C8 | C14 | 115.7° | 118.3° |
| C8 | C9 | H11 | 118.4° | 120.5° |
| C9 | N4 | C10 | 115.7° | 120.9° |
| N4 | C9 | H11 | 118.4° | 120.5° |
| N4 | C10 | N5 | 116.5° | 119.1° |
| N4 | C10 | N6 | 126.7° | 121.9° |
| C10 | N5 | C11 | 133.7° | 111.0° |
| C10 | N5 | C13 | 131.7° | 111.0° |
| N5 | C10 | N6 | 116.8° | 119.0° |
| N5 | C11 | C12 | 88.1° | 87.9° |
| C11 | N5 | C13 | 94.6° | 87.9° |
| N5 | C11 | H13 | 114.5° | 113.5° |
| N5 | C11 | H12 | 114.5° | 113.4° |
| C11 | C12 | O | 110.9° | 114.3° |
| C11 | C12 | C13 | 89.2° | 83.6° |
| C11 | C12 | H14 | 112.0° | 114.2° |
| C12 | C11 | H13 | 114.5° | 113.5° |
| C12 | C11 | H12 | 114.5° | 113.5° |
| O | C12 | C13 | 116.6° | 114.2° |
| O | C12 | H14 | 113.8° | 113.2° |
| C12 | O | H15 | 109.5° | 114.0° |
| C12 | C13 | N5 | 88.2° | 87.9° |
| C12 | C13 | H17 | 114.5° | 113.4° |
| C12 | C13 | H16 | 114.5° | 113.5° |
| C13 | C12 | H14 | 111.9° | 114.2° |
| N5 | C13 | H17 | 114.5° | 113.5° |
| N5 | C13 | H16 | 114.5° | 113.5° |
| C10 | N6 | C14 | 115.5° | 120.9° |
| N6 | C14 | C8 | 123.1° | 119.1° |
| N6 | C14 | H18 | 118.5° | 120.4° |
| C8 | C14 | H18 | 118.4° | 120.5° |
| C7 | C15 | C16 | 107.0° | 106.8° |
| C7 | C15 | H19 | 126.5° | 126.6° |
| C15 | C16 | C4 | 136.5° | 134.9° |
| C15 | C16 | C6 | 107.2° | 106.4° |
| C16 | C15 | H19 | 126.5° | 126.6° |
| C4 | C16 | C6 | 116.2° | 118.6° |
| C3 | C17 | C18 | 121.7° | 120.3° |
| C3 | C17 | C22 | 120.6° | 120.3° |
| C17 | C3 | H | 107.1° | 109.5° |
| C17 | C18 | C19 | 120.9° | 119.9° |
| C18 | C17 | C22 | 117.7° | 119.5° |
| C17 | C18 | H20 | 119.5° | 120.1° |
| C18 | C19 | C20 | 122.5° | 121.0° |
| C18 | C19 | H21 | 118.8° | 119.5° |
| C19 | C18 | H20 | 119.6° | 120.0° |
| C19 | C20 | C21 | 116.1° | 118.8° |
| C19 | C20 | C25 | 119.8° | 116.5° |
| C20 | C19 | H21 | 118.7° | 119.5° |
| C20 | C21 | C22 | 121.7° | 120.3° |
| C20 | C21 | S | 121.7° | 121.9° |
| C21 | C20 | C25 | 124.0° | 124.7° |
| C21 | C22 | C17 | 121.0° | 120.6° |
| C22 | C21 | S | 116.4° | 117.8° |
| C21 | C22 | H22 | 119.5° | 119.7° |
| C17 | C22 | H22 | 119.5° | 119.7° |
| C21 | S | O1 | 108.4° | 104.4° |
| C21 | S | O2 | 107.1° | 104.4° |
| C21 | S | C23 | 103.8° | 103.6° |
| O1 | S | O2 | 117.2° | 121.1° |
| O1 | S | C23 | 109.0° | 110.7° |
| O2 | S | C23 | 110.4° | 110.6° |
| S | C23 | C24 | 110.5° | 107.0° |
| S | C23 | H23 | 109.2° | 109.9° |
| S | C23 | H24 | 109.2° | 109.9° |
| C23 | C24 | C25 | 111.1° | 109.0° |
| C23 | C24 | H26 | 109.1° | 109.6° |
| C23 | C24 | H25 | 109.1° | 109.6° |
| C24 | C23 | H23 | 109.2° | 110.0° |
| C24 | C23 | H24 | 109.2° | 109.9° |
| C24 | C25 | C20 | 113.5° | 113.9° |
| C25 | C24 | H26 | 109.0° | 109.5° |
| C25 | C24 | H25 | 109.0° | 109.6° |
| C24 | C25 | H27 | 108.5° | 108.7° |
| C24 | C25 | H28 | 108.4° | 108.6° |
| C20 | C25 | H27 | 108.5° | 108.6° |
| C20 | C25 | H28 | 108.5° | 108.6° |
| H17 | C13 | H16 | 109.5° | 112.8° |
| H26 | C24 | H25 | 109.5° | 109.6° |
| H23 | C23 | H24 | 109.5° | 110.0° |
| H27 | C25 | H28 | 109.4° | 108.4° |
| H7 | C2 | H6 | 109.4° | 109.5° |
| H7 | C2 | H8 | 109.5° | 109.4° |
| H6 | C2 | H8 | 109.5° | 109.5° |
| H4 | C | H3 | 109.5° | 109.5° |
| H4 | C | H2 | 109.5° | 109.5° |
| H3 | C | H2 | 109.5° | 109.5° |
| H13 | C11 | H12 | 109.4° | 112.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C3 | 124.0° | 120.0° |
| C | C1 | C2 | H5 | 117.7° | 120.0° |
| C | C1 | C3 | H5 | 117.7° | 120.0° |
| C | C1 | C3 | N | 56.8° | 175.0° |
| C | C1 | C3 | C17 | 177.8° | 65.0° |
| C | C1 | C3 | H | 60.2° | 55.0° |
| C | C1 | C2 | H7 | 180.0° | 60.0° |
| C | C1 | C2 | H6 | 60.0° | 60.0° |
| C | C1 | C2 | H8 | 60.0° | 180.0° |
| C1 | C | H4 | H3 | 120.0° | 120.0° |
| C1 | C | H4 | H2 | 120.0° | 120.0° |
| C1 | C | H3 | H2 | 120.0° | 120.0° |
| C2 | C1 | C3 | H5 | 118.5° | 119.9° |
| C2 | C1 | C3 | N | 179.5° | 64.9° |
| C2 | C1 | C3 | C17 | 54.1° | 55.0° |
| C2 | C1 | C3 | H | 63.6° | 175.0° |
| C1 | C2 | H7 | H6 | 120.0° | 120.0° |
| C1 | C2 | H7 | H8 | 120.0° | 120.0° |
| C1 | C2 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | C | H4 | 180.0° | 60.0° |
| C2 | C1 | C | H3 | 60.0° | 60.0° |
| C2 | C1 | C | H2 | 60.0° | 180.0° |
| C1 | C3 | N | C17 | 126.6° | 120.0° |
| C1 | C3 | N | H | 116.2° | 120.1° |
| C1 | C3 | N | C4 | 145.0° | 85.0° |
| C1 | C3 | C17 | H | 117.5° | 120.1° |
| C1 | C3 | C17 | C18 | 110.0° | 80.0° |
| C1 | C3 | C17 | C22 | 70.3° | 99.7° |
| C3 | C1 | C2 | H7 | 56.0° | 60.0° |
| C3 | C1 | C2 | H6 | 64.0° | 180.0° |
| C3 | C1 | C2 | H8 | 176.0° | 60.0° |
| C3 | C1 | C | H4 | 55.6° | 180.0° |
| C3 | C1 | C | H3 | 175.6° | 60.0° |
| C3 | C1 | C | H2 | 64.4° | 60.0° |
| C1 | C3 | N | H9 | 92.9° | 95.0° |
| C3 | N | C4 | H9 | 122.0° | 180.0° |
| C3 | N | C4 | N1 | 18.8° | 0.0° |
| C3 | N | C4 | C16 | 165.7° | 180.0° |
| N | C3 | C17 | H | 117.7° | 120.0° |
| N | C3 | C17 | C18 | 125.2° | 40.0° |
| N | C3 | C17 | C22 | 54.5° | 140.3° |
| N | C3 | C1 | H5 | 61.0° | 55.0° |
| N | C4 | N1 | C16 | 175.6° | 179.9° |
| N | C4 | N1 | C5 | 174.3° | 179.9° |
| N | C4 | C16 | C15 | 4.4° | 0.1° |
| N | C4 | C16 | C6 | 172.4° | 180.0° |
| C4 | N | C3 | C17 | 88.4° | 155.0° |
| C4 | N | C3 | H | 28.8° | 35.0° |
| C4 | N1 | C5 | N2 | 1.8° | 0.0° |
| N1 | C4 | C16 | C15 | 179.9° | 180.0° |
| N1 | C4 | C16 | C6 | 3.1° | 0.0° |
| C4 | N1 | C5 | H10 | 178.2° | 180.0° |
| N1 | C4 | N | H9 | 140.8° | 180.0° |
| N1 | C5 | N2 | H10 | 180.0° | 180.0° |
| N1 | C5 | N2 | C6 | 2.6° | 0.0° |
| C5 | N1 | C4 | C16 | 1.3° | 0.0° |
| C5 | N2 | C6 | N3 | 177.7° | 179.9° |
| C5 | N2 | C6 | C16 | 0.2° | 0.1° |
| N2 | C6 | N3 | C16 | 178.2° | 180.0° |
| N2 | C6 | N3 | C7 | 179.5° | 180.0° |
| N2 | C6 | C16 | C15 | 179.9° | 180.0° |
| N2 | C6 | C16 | C4 | 2.4° | 0.0° |
| N2 | C6 | N3 | H1 | 0.5° | 0.0° |
| C6 | N2 | C5 | H10 | 177.5° | 180.0° |
| C6 | N3 | C7 | H1 | 180.0° | 180.0° |
| C6 | N3 | C7 | C8 | 177.9° | 180.0° |
| C6 | N3 | C7 | C15 | 0.3° | 0.0° |
| N3 | C6 | C16 | C15 | 1.6° | 0.0° |
| N3 | C6 | C16 | C4 | 179.3° | 179.9° |
| N3 | C7 | C8 | C15 | 177.8° | 180.0° |
| N3 | C7 | C8 | C9 | 167.1° | 0.0° |
| N3 | C7 | C8 | C14 | 11.5° | 179.7° |
| N3 | C7 | C15 | C16 | 0.7° | 0.0° |
| C7 | N3 | C6 | C16 | 1.2° | 0.0° |
| N3 | C7 | C15 | H19 | 179.3° | 180.0° |
| C7 | C8 | C9 | C14 | 178.6° | 179.7° |
| C7 | C8 | C9 | N4 | 179.3° | 180.0° |
| C7 | C8 | C14 | N6 | 179.2° | 180.0° |
| C8 | C7 | C15 | C16 | 178.7° | 180.0° |
| C8 | C7 | N3 | H1 | 2.1° | 0.0° |
| C8 | C7 | C15 | H19 | 1.2° | 0.0° |
| C7 | C8 | C14 | H18 | 0.8° | 0.1° |
| C7 | C8 | C9 | H11 | 0.7° | 0.0° |
| C8 | C9 | N4 | H11 | 180.0° | 180.0° |
| C8 | C9 | N4 | C10 | 0.1° | 0.0° |
| C9 | C8 | C14 | N6 | 2.2° | 0.3° |
| C9 | C8 | C7 | C15 | 15.1° | 180.0° |
| C9 | C8 | C14 | H18 | 177.8° | 179.8° |
| C9 | N4 | C10 | N5 | 177.5° | 180.0° |
| C9 | N4 | C10 | N6 | 0.5° | 0.3° |
| N4 | C9 | C8 | C14 | 0.7° | 0.3° |
| N4 | C10 | N5 | N6 | 178.2° | 179.8° |
| N4 | C10 | N5 | C11 | 12.2° | 96.2° |
| N4 | C10 | N5 | C13 | 170.2° | 0.2° |
| N4 | C10 | N6 | C14 | 1.8° | 0.2° |
| C10 | N4 | C9 | H11 | 179.9° | 180.0° |
| C10 | N5 | C11 | C13 | 178.2° | 111.7° |
| C10 | N5 | C11 | C12 | 176.7° | 138.7° |
| C10 | N5 | C13 | C12 | 176.8° | 138.7° |
| N5 | C10 | N6 | C14 | 176.2° | 180.0° |
| C10 | N5 | C13 | H17 | 67.0° | 106.6° |
| C10 | N5 | C13 | H16 | 60.6° | 24.0° |
| C10 | N5 | C11 | H13 | 67.1° | 23.9° |
| C10 | N5 | C11 | H12 | 60.5° | 106.6° |
| N5 | C11 | C12 | H13 | 116.2° | 114.7° |
| N5 | C11 | C12 | H12 | 116.2° | 114.7° |
| N5 | C11 | C12 | O | 119.7° | 139.7° |
| C11 | N5 | C13 | C12 | 1.5° | 27.0° |
| C11 | N5 | C10 | N6 | 169.6° | 84.0° |
| C11 | N5 | C13 | H17 | 114.7° | 141.7° |
| C11 | N5 | C13 | H16 | 117.7° | 87.7° |
| N5 | C11 | C12 | H14 | 112.0° | 87.6° |
| N5 | C11 | H13 | H12 | 130.2° | 130.7° |
| C11 | C12 | O | C13 | 100.0° | 94.0° |
| C11 | C12 | O | H14 | 127.4° | 133.1° |
| C11 | C12 | C13 | H14 | 113.5° | 113.7° |
| C11 | C12 | C13 | H17 | 114.8° | 140.8° |
| C11 | C12 | C13 | H16 | 117.6° | 88.8° |
| C11 | C12 | O | H15 | 180.0° | 86.0° |
| C12 | C11 | H13 | H12 | 130.2° | 130.9° |
| O | C12 | C13 | H14 | 133.4° | 132.5° |
| O | C12 | C13 | N5 | 114.5° | 139.9° |
| O | C12 | C13 | H17 | 1.7° | 105.4° |
| O | C12 | C13 | H16 | 129.3° | 25.1° |
| O | C12 | C11 | H13 | 3.5° | 25.0° |
| O | C12 | C11 | H12 | 124.1° | 105.6° |
| C12 | C13 | N5 | H17 | 116.2° | 114.7° |
| C12 | C13 | N5 | H16 | 116.2° | 114.8° |
| C12 | C13 | H17 | H16 | 130.1° | 130.8° |
| C13 | C12 | O | H15 | 80.0° | 180.0° |
| C13 | C12 | C11 | H13 | 114.7° | 88.7° |
| C13 | C12 | C11 | H12 | 117.6° | 140.7° |
| C13 | N5 | C10 | N6 | 8.0° | 180.0° |
| N5 | C13 | H17 | H16 | 130.1° | 130.9° |
| N5 | C13 | C12 | H14 | 112.1° | 87.6° |
| C13 | N5 | C11 | H13 | 114.7° | 87.8° |
| C13 | N5 | C11 | H12 | 117.7° | 141.8° |
| C10 | N6 | C14 | C8 | 2.7° | 0.0° |
| C10 | N6 | C14 | H18 | 177.3° | 180.0° |
| N6 | C14 | C8 | H18 | 180.0° | 179.9° |
| C14 | C8 | C7 | C15 | 166.4° | 0.2° |
| C14 | C8 | C9 | H11 | 179.3° | 179.8° |
| C7 | C15 | C16 | H19 | 180.0° | 180.0° |
| C7 | C15 | C16 | C4 | 178.4° | 179.9° |
| C7 | C15 | C16 | C6 | 1.4° | 0.0° |
| C15 | C7 | N3 | H1 | 179.7° | 180.0° |
| C15 | C16 | C4 | C6 | 176.8° | 179.9° |
| C4 | C16 | C15 | H19 | 1.5° | 0.0° |
| C16 | C4 | N | H9 | 43.7° | 0.1° |
| C16 | C6 | N3 | H1 | 178.8° | 180.0° |
| C6 | C16 | C15 | H19 | 178.6° | 180.0° |
| C3 | C17 | C18 | C22 | 179.7° | 179.7° |
| C3 | C17 | C18 | C19 | 178.9° | 179.4° |
| C3 | C17 | C22 | C21 | 179.2° | 179.7° |
| C3 | C17 | C22 | H22 | 0.9° | 0.3° |
| C3 | C17 | C18 | H20 | 1.1° | 0.4° |
| C17 | C3 | C1 | H5 | 64.4° | 174.9° |
| C17 | C3 | N | H9 | 33.7° | 25.0° |
| C17 | C18 | C19 | H20 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.9° | 0.1° |
| C18 | C17 | C22 | C21 | 0.6° | 0.0° |
| C18 | C17 | C22 | H22 | 179.4° | 179.9° |
| C17 | C18 | C19 | H21 | 179.1° | 180.0° |
| C18 | C17 | C3 | H | 7.5° | 159.9° |
| C18 | C19 | C20 | H21 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.5° | 0.4° |
| C19 | C18 | C17 | C22 | 0.9° | 0.3° |
| C18 | C19 | C20 | C25 | 177.1° | 179.2° |
| C19 | C20 | C21 | C25 | 177.6° | 179.6° |
| C19 | C20 | C21 | C22 | 0.2° | 0.7° |
| C19 | C20 | C21 | S | 174.6° | 179.1° |
| C19 | C20 | C25 | C24 | 156.2° | 156.5° |
| C19 | C20 | C25 | H27 | 83.2° | 82.2° |
| C19 | C20 | C25 | H28 | 35.6° | 35.4° |
| C20 | C19 | C18 | H20 | 179.1° | 180.0° |
| C20 | C21 | C22 | S | 175.1° | 179.7° |
| C20 | C21 | C22 | C17 | 0.2° | 0.5° |
| C20 | C21 | S | O1 | 132.0° | 104.0° |
| C20 | C21 | S | O2 | 100.7° | 128.0° |
| C20 | C21 | S | C23 | 16.1° | 12.1° |
| C21 | C20 | C25 | C24 | 26.3° | 23.8° |
| C20 | C21 | C22 | H22 | 179.7° | 179.6° |
| C21 | C20 | C25 | H27 | 94.3° | 97.4° |
| C21 | C20 | C25 | H28 | 146.9° | 145.0° |
| C21 | C20 | C19 | H21 | 179.4° | 179.5° |
| C21 | C22 | C17 | H22 | 180.0° | 180.0° |
| C22 | C21 | S | O1 | 52.9° | 75.8° |
| C22 | C21 | S | O2 | 74.4° | 52.3° |
| C22 | C21 | S | C23 | 168.8° | 168.2° |
| C22 | C21 | C20 | C25 | 177.4° | 178.9° |
| C17 | C22 | C21 | S | 174.8° | 179.3° |
| C22 | C17 | C18 | H20 | 179.1° | 179.8° |
| C22 | C17 | C3 | H | 172.2° | 20.3° |
| C21 | S | O1 | O2 | 121.3° | 117.1° |
| C21 | S | O1 | C23 | 112.4° | 111.0° |
| C21 | S | O2 | C23 | 112.4° | 110.9° |
| C21 | S | C23 | C24 | 44.6° | 45.0° |
| S | C21 | C20 | C25 | 7.8° | 1.3° |
| S | C21 | C22 | H22 | 5.2° | 0.7° |
| C21 | S | C23 | H23 | 75.5° | 74.4° |
| C21 | S | C23 | H24 | 164.8° | 164.3° |
| O1 | S | O2 | C23 | 125.6° | 132.0° |
| O1 | S | C23 | C24 | 160.0° | 66.5° |
| O1 | S | C23 | H23 | 39.9° | 174.1° |
| O1 | S | C23 | H24 | 79.8° | 52.8° |
| O2 | S | C23 | C24 | 69.9° | 156.4° |
| O2 | S | C23 | H23 | 170.0° | 37.0° |
| O2 | S | C23 | H24 | 50.3° | 84.3° |
| S | C23 | C24 | H23 | 120.1° | 119.4° |
| S | C23 | C24 | H24 | 120.2° | 119.3° |
| S | C23 | C24 | C25 | 68.5° | 71.6° |
| S | C23 | C24 | H26 | 171.3° | 48.3° |
| S | C23 | C24 | H25 | 51.7° | 168.6° |
| S | C23 | H23 | H24 | 119.5° | 121.2° |
| C23 | C24 | C25 | H26 | 120.3° | 119.9° |
| C23 | C24 | C25 | H25 | 120.3° | 119.9° |
| C23 | C24 | C25 | C20 | 57.4° | 61.3° |
| C23 | C24 | H26 | H25 | 119.3° | 120.3° |
| C24 | C23 | H23 | H24 | 119.5° | 121.3° |
| C23 | C24 | C25 | H27 | 63.2° | 59.9° |
| C23 | C24 | C25 | H28 | 178.1° | 177.6° |
| C24 | C25 | C20 | H27 | 120.6° | 121.2° |
| C24 | C25 | C20 | H28 | 120.6° | 121.1° |
| C25 | C24 | H26 | H25 | 119.2° | 120.2° |
| C25 | C24 | C23 | H23 | 51.6° | 47.8° |
| C25 | C24 | C23 | H24 | 171.3° | 169.1° |
| C24 | C25 | H27 | H28 | 118.1° | 117.8° |
| C20 | C25 | C24 | H26 | 177.7° | 58.6° |
| C20 | C25 | C24 | H25 | 62.8° | 178.8° |
| C20 | C25 | H27 | H28 | 118.2° | 117.8° |
| C25 | C20 | C19 | H21 | 2.9° | 0.9° |
| H17 | C13 | C12 | H14 | 131.7° | 27.2° |
| H16 | C13 | C12 | H14 | 4.1° | 157.6° |
| H26 | C24 | C23 | H23 | 68.6° | 167.7° |
| H26 | C24 | C23 | H24 | 51.1° | 71.0° |
| H26 | C24 | C25 | H27 | 57.1° | 179.8° |
| H26 | C24 | C25 | H28 | 61.7° | 62.5° |
| H25 | C24 | C23 | H23 | 171.9° | 72.1° |
| H25 | C24 | C23 | H24 | 68.4° | 49.2° |
| H25 | C24 | C25 | H27 | 176.6° | 60.0° |
| H25 | C24 | C25 | H28 | 57.8° | 57.7° |
| H21 | C19 | C18 | H20 | 0.9° | 0.1° |
| H | C3 | C1 | H5 | 177.9° | 65.0° |
| H | C3 | N | H9 | 150.9° | 145.0° |
| H5 | C1 | C2 | H7 | 62.3° | 180.0° |
| H5 | C1 | C2 | H6 | 177.7° | 60.0° |
| H5 | C1 | C2 | H8 | 57.7° | 60.0° |
| H5 | C1 | C | H4 | 62.2° | 60.0° |
| H5 | C1 | C | H3 | 57.9° | 180.0° |
| H5 | C1 | C | H2 | 177.9° | 60.0° |
| H7 | C2 | H6 | H8 | 120.0° | 120.0° |
| H4 | C | H3 | H2 | 120.0° | 120.0° |
| H14 | C12 | O | H15 | 52.6° | 47.1° |
| H14 | C12 | C11 | H13 | 131.9° | 157.7° |
| H14 | C12 | C11 | H12 | 4.2° | 27.1° |
