A1I9B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | doub | 1.36Å | 1.38Å | Aromatic |
| C25 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C19 | sing | 1.41Å | 1.44Å | Aromatic |
| C23 | C22 | doub | 1.36Å | 1.40Å | Aromatic |
| C19 | C21 | doub | 1.41Å | 1.43Å | Aromatic |
| C19 | C17 | sing | 1.42Å | 1.43Å | Aromatic |
| C22 | C17 | sing | 1.40Å | 1.45Å | Aromatic |
| C21 | C20 | sing | 1.36Å | 1.37Å | Aromatic |
| C17 | C16 | doub | 1.41Å | 1.42Å | Aromatic |
| C14 | S3 | sing | 1.76Å | 1.75Å | Aromatic |
| C14 | C15 | doub | 1.33Å | 1.35Å | Aromatic |
| S3 | C12 | sing | 1.76Å | 1.71Å | Aromatic |
| C20 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C18 | sing | 1.37Å | 1.40Å | Aromatic |
| C16 | O3 | sing | 1.36Å | 1.38Å | |
| C15 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| O3 | C11 | sing | 1.43Å | 1.45Å | |
| C12 | C13 | doub | 1.33Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | N3 | sing | 1.47Å | 1.48Å | |
| N3 | C26 | sing | 1.46Å | 1.48Å | |
| N3 | C8 | sing | 1.35Å | 1.37Å | |
| S2 | C8 | doub | 1.71Å | 1.68Å | |
| C8 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C7 | sing | 1.47Å | 1.46Å | |
| C7 | C5 | sing | 1.51Å | 1.51Å | |
| C3 | C5 | doub | 1.38Å | 1.35Å | Aromatic |
| C3 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | S1 | sing | 1.76Å | 1.76Å | |
| O2 | S1 | doub | 1.42Å | 1.45Å | |
| S1 | O1 | doub | 1.42Å | 1.46Å | |
| S1 | N1 | sing | 1.66Å | 1.60Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C25 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.08Å | 1.08Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| N1 | H17 | sing | 0.97Å | 1.00Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | H26 | sing | 1.08Å | 1.08Å | |
| C18 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | C23 | 120.9° | 120.9° |
| C25 | C24 | C19 | 119.7° | 119.7° |
| C25 | C24 | H10 | 120.1° | 120.2° |
| C24 | C25 | H11 | 119.6° | 119.6° |
| C25 | C23 | C22 | 121.5° | 121.0° |
| C23 | C25 | H11 | 119.6° | 119.5° |
| C25 | C23 | H25 | 119.3° | 119.5° |
| C24 | C19 | C21 | 120.1° | 121.3° |
| C24 | C19 | C17 | 119.8° | 119.3° |
| C19 | C24 | H10 | 120.1° | 120.1° |
| C23 | C22 | C17 | 118.9° | 119.7° |
| C23 | C22 | H24 | 120.6° | 120.1° |
| C22 | C23 | H25 | 119.3° | 119.6° |
| C21 | C19 | C17 | 119.6° | 119.4° |
| C19 | C21 | C20 | 119.8° | 119.8° |
| C19 | C21 | H9 | 120.1° | 120.1° |
| C19 | C17 | C22 | 117.7° | 119.4° |
| C19 | C17 | C16 | 119.0° | 119.3° |
| C22 | C17 | C16 | 122.3° | 121.3° |
| C17 | C22 | H24 | 120.5° | 120.2° |
| C21 | C20 | C18 | 120.4° | 121.1° |
| C20 | C21 | H9 | 120.1° | 120.2° |
| C21 | C20 | H26 | 119.8° | 119.4° |
| C17 | C16 | C18 | 118.7° | 119.6° |
| C17 | C16 | O3 | 115.0° | 120.2° |
| S3 | C14 | C15 | 112.6° | 109.6° |
| C14 | S3 | C12 | 92.1° | 90.9° |
| S3 | C14 | H7 | 123.7° | 125.2° |
| C14 | C15 | C13 | 111.3° | 114.9° |
| C15 | C14 | H7 | 123.7° | 125.2° |
| C14 | C15 | H8 | 124.3° | 122.6° |
| S3 | C12 | C13 | 109.8° | 109.6° |
| S3 | C12 | C11 | 122.6° | 125.2° |
| C20 | C18 | C16 | 122.0° | 120.9° |
| C18 | C20 | H26 | 119.8° | 119.5° |
| C20 | C18 | H27 | 119.0° | 119.6° |
| C18 | C16 | O3 | 125.8° | 120.2° |
| C16 | C18 | H27 | 119.0° | 119.5° |
| C16 | O3 | C11 | 119.4° | 117.0° |
| C15 | C13 | C12 | 114.1° | 114.9° |
| C15 | C13 | H6 | 122.9° | 122.5° |
| C13 | C15 | H8 | 124.3° | 122.5° |
| O3 | C11 | C12 | 111.4° | 109.5° |
| O3 | C11 | C10 | 109.9° | 109.5° |
| O3 | C11 | H23 | 107.6° | 109.4° |
| C13 | C12 | C11 | 127.0° | 125.2° |
| C12 | C13 | H6 | 122.9° | 122.5° |
| C12 | C11 | C10 | 114.0° | 109.5° |
| C12 | C11 | H23 | 107.1° | 109.5° |
| C11 | C10 | C9 | 114.9° | 109.5° |
| C11 | C10 | H21 | 108.1° | 109.5° |
| C11 | C10 | H22 | 108.1° | 109.5° |
| C10 | C11 | H23 | 106.6° | 109.5° |
| C10 | C9 | N3 | 114.0° | 109.4° |
| C10 | C9 | H19 | 108.3° | 109.5° |
| C10 | C9 | H20 | 108.3° | 109.5° |
| C9 | C10 | H21 | 108.1° | 109.5° |
| C9 | C10 | H22 | 108.1° | 109.5° |
| C9 | N3 | C26 | 115.4° | 120.0° |
| C9 | N3 | C8 | 121.7° | 120.0° |
| N3 | C9 | H19 | 108.3° | 109.5° |
| N3 | C9 | H20 | 108.3° | 109.5° |
| C26 | N3 | C8 | 122.9° | 120.0° |
| N3 | C26 | H12 | 109.5° | 109.5° |
| N3 | C26 | H13 | 109.5° | 109.5° |
| N3 | C26 | H14 | 109.5° | 109.5° |
| N3 | C8 | S2 | 121.4° | 120.0° |
| N3 | C8 | N2 | 116.2° | 120.0° |
| S2 | C8 | N2 | 122.1° | 120.0° |
| C8 | N2 | C7 | 126.2° | 120.0° |
| C8 | N2 | H18 | 116.9° | 120.0° |
| N2 | C7 | C5 | 111.3° | 109.5° |
| N2 | C7 | H4 | 109.0° | 109.4° |
| N2 | C7 | H5 | 109.0° | 109.4° |
| C7 | N2 | H18 | 116.9° | 120.0° |
| C7 | C5 | C3 | 121.8° | 120.0° |
| C7 | C5 | C6 | 118.9° | 120.0° |
| C5 | C7 | H4 | 109.0° | 109.5° |
| C5 | C7 | H5 | 109.0° | 109.5° |
| C5 | C3 | C1 | 121.7° | 120.0° |
| C3 | C5 | C6 | 119.3° | 120.0° |
| C5 | C3 | H1 | 119.1° | 120.0° |
| C3 | C1 | C2 | 117.7° | 120.0° |
| C1 | C3 | H1 | 119.1° | 120.0° |
| C3 | C1 | H15 | 121.1° | 120.0° |
| C5 | C6 | C4 | 121.3° | 120.0° |
| C5 | C6 | H3 | 119.3° | 120.0° |
| C1 | C2 | C4 | 120.7° | 120.0° |
| C1 | C2 | S1 | 120.9° | 120.0° |
| C2 | C1 | H15 | 121.2° | 119.9° |
| C6 | C4 | C2 | 118.9° | 120.0° |
| C6 | C4 | H2 | 120.5° | 120.0° |
| C4 | C6 | H3 | 119.4° | 120.0° |
| C4 | C2 | S1 | 118.3° | 120.0° |
| C2 | C4 | H2 | 120.6° | 120.0° |
| C2 | S1 | O2 | 105.2° | 106.4° |
| C2 | S1 | O1 | 106.6° | 106.4° |
| C2 | S1 | N1 | 107.7° | 107.2° |
| O2 | S1 | O1 | 117.5° | 123.2° |
| O2 | S1 | N1 | 109.6° | 106.4° |
| O1 | S1 | N1 | 109.6° | 106.4° |
| S1 | N1 | H16 | 109.5° | 120.0° |
| S1 | N1 | H17 | 109.5° | 120.0° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H12 | C26 | H13 | 109.4° | 109.5° |
| H12 | C26 | H14 | 109.5° | 109.5° |
| H13 | C26 | H14 | 109.4° | 109.4° |
| H16 | N1 | H17 | 109.5° | 120.0° |
| H19 | C9 | H20 | 109.5° | 109.5° |
| H21 | C10 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | C23 | H11 | 180.0° | 179.9° |
| C25 | C24 | C19 | H10 | 180.0° | 180.0° |
| C24 | C25 | C23 | C22 | 2.9° | 0.1° |
| C25 | C24 | C19 | C21 | 177.9° | 179.9° |
| C25 | C24 | C19 | C17 | 6.0° | 0.0° |
| C24 | C25 | C23 | H25 | 177.1° | 180.0° |
| C23 | C25 | C24 | C19 | 0.9° | 0.0° |
| C25 | C23 | C22 | H25 | 180.0° | 179.9° |
| C25 | C23 | C22 | C17 | 9.7° | 0.1° |
| C23 | C25 | C24 | H10 | 179.1° | 179.9° |
| C25 | C23 | C22 | H24 | 170.3° | 179.9° |
| C24 | C19 | C21 | C17 | 172.0° | 179.9° |
| C24 | C19 | C17 | C22 | 12.5° | 0.0° |
| C24 | C19 | C21 | C20 | 178.7° | 180.0° |
| C24 | C19 | C17 | C16 | 178.6° | 180.0° |
| C24 | C19 | C21 | H9 | 1.3° | 0.0° |
| C19 | C24 | C25 | H11 | 179.1° | 180.0° |
| C23 | C22 | C17 | C19 | 14.3° | 0.0° |
| C23 | C22 | C17 | H24 | 180.0° | 180.0° |
| C23 | C22 | C17 | C16 | 177.2° | 179.9° |
| C22 | C23 | C25 | H11 | 177.1° | 180.0° |
| C21 | C19 | C17 | C22 | 175.5° | 179.9° |
| C19 | C21 | C20 | H9 | 180.0° | 180.0° |
| C21 | C19 | C17 | C16 | 6.6° | 0.1° |
| C19 | C21 | C20 | C18 | 1.1° | 0.1° |
| C21 | C19 | C24 | H10 | 2.0° | 0.1° |
| C19 | C21 | C20 | H26 | 178.8° | 179.9° |
| C19 | C17 | C22 | C16 | 168.5° | 180.0° |
| C17 | C19 | C21 | C20 | 6.8° | 0.0° |
| C19 | C17 | C16 | C18 | 0.9° | 0.0° |
| C19 | C17 | C16 | O3 | 170.9° | 179.7° |
| C17 | C19 | C21 | H9 | 173.2° | 180.0° |
| C17 | C19 | C24 | H10 | 174.0° | 180.0° |
| C19 | C17 | C22 | H24 | 165.7° | 180.0° |
| C22 | C17 | C16 | C18 | 169.4° | 180.0° |
| C22 | C17 | C16 | O3 | 2.5° | 0.3° |
| C17 | C22 | C23 | H25 | 170.3° | 180.0° |
| C21 | C20 | C18 | H26 | 180.0° | 179.9° |
| C21 | C20 | C18 | C16 | 4.7° | 0.1° |
| C21 | C20 | C18 | H27 | 175.2° | 179.8° |
| C17 | C16 | C18 | C20 | 4.8° | 0.1° |
| C17 | C16 | C18 | O3 | 170.9° | 179.7° |
| C17 | C16 | O3 | C11 | 139.0° | 174.7° |
| C16 | C17 | C22 | H24 | 2.8° | 0.0° |
| C17 | C16 | C18 | H27 | 175.2° | 179.7° |
| S3 | C14 | C15 | H7 | 180.0° | 179.6° |
| S3 | C14 | C15 | C13 | 1.8° | 0.3° |
| C14 | S3 | C12 | C13 | 3.0° | 0.3° |
| C14 | S3 | C12 | C11 | 174.3° | 179.9° |
| S3 | C14 | C15 | H8 | 178.2° | 180.0° |
| C15 | C14 | S3 | C12 | 2.9° | 0.3° |
| C14 | C15 | C13 | H8 | 180.0° | 179.8° |
| C14 | C15 | C13 | C12 | 0.5° | 0.0° |
| C14 | C15 | C13 | H6 | 179.5° | 180.0° |
| S3 | C12 | C13 | C15 | 2.6° | 0.3° |
| S3 | C12 | C11 | O3 | 22.9° | 34.7° |
| S3 | C12 | C13 | C11 | 170.8° | 179.7° |
| S3 | C12 | C11 | C10 | 102.1° | 85.3° |
| S3 | C12 | C13 | H6 | 177.4° | 179.7° |
| C12 | S3 | C14 | H7 | 177.2° | 180.0° |
| S3 | C12 | C11 | H23 | 140.3° | 154.7° |
| C20 | C18 | C16 | H27 | 180.0° | 179.6° |
| C20 | C18 | C16 | O3 | 175.7° | 179.6° |
| C18 | C20 | C21 | H9 | 178.9° | 179.9° |
| C18 | C16 | O3 | C11 | 49.8° | 5.5° |
| C16 | C18 | C20 | H26 | 175.3° | 180.0° |
| C16 | O3 | C11 | C12 | 75.8° | 84.4° |
| C16 | O3 | C11 | C10 | 51.5° | 155.6° |
| C16 | O3 | C11 | H23 | 167.2° | 35.6° |
| O3 | C16 | C18 | H27 | 4.3° | 0.0° |
| C15 | C13 | C12 | H6 | 180.0° | 180.0° |
| C15 | C13 | C12 | C11 | 173.5° | 180.0° |
| C13 | C15 | C14 | H7 | 178.2° | 179.9° |
| O3 | C11 | C12 | C13 | 146.8° | 145.0° |
| O3 | C11 | C12 | C10 | 125.0° | 120.0° |
| O3 | C11 | C12 | H23 | 117.4° | 120.0° |
| O3 | C11 | C10 | H23 | 116.3° | 120.0° |
| O3 | C11 | C10 | C9 | 145.0° | 65.0° |
| O3 | C11 | C10 | H21 | 24.2° | 175.0° |
| O3 | C11 | C10 | H22 | 94.2° | 55.0° |
| C13 | C12 | C11 | C10 | 88.1° | 95.0° |
| C12 | C13 | C15 | H8 | 179.5° | 179.8° |
| C13 | C12 | C11 | H23 | 29.4° | 25.1° |
| C12 | C11 | C10 | H23 | 117.9° | 120.0° |
| C12 | C11 | C10 | C9 | 89.2° | 175.0° |
| C11 | C12 | C13 | H6 | 6.5° | 0.0° |
| C12 | C11 | C10 | H21 | 150.0° | 55.0° |
| C12 | C11 | C10 | H22 | 31.6° | 65.0° |
| C11 | C10 | C9 | H21 | 120.8° | 120.0° |
| C11 | C10 | C9 | H22 | 120.8° | 120.0° |
| C11 | C10 | C9 | N3 | 128.9° | 180.0° |
| C11 | C10 | C9 | H19 | 110.4° | 60.0° |
| C11 | C10 | C9 | H20 | 8.2° | 60.0° |
| C11 | C10 | H21 | H22 | 117.5° | 120.0° |
| C10 | C9 | N3 | H19 | 120.6° | 120.0° |
| C10 | C9 | N3 | H20 | 120.7° | 120.0° |
| C10 | C9 | N3 | C26 | 81.3° | 90.0° |
| C10 | C9 | N3 | C8 | 99.8° | 90.1° |
| C10 | C9 | H19 | H20 | 118.0° | 120.0° |
| C9 | C10 | H21 | H22 | 117.5° | 120.0° |
| C9 | C10 | C11 | H23 | 28.7° | 55.0° |
| C9 | N3 | C26 | C8 | 178.9° | 179.9° |
| C9 | N3 | C8 | S2 | 4.4° | 0.1° |
| C9 | N3 | C8 | N2 | 170.0° | 179.9° |
| C9 | N3 | C26 | H12 | 180.0° | 90.0° |
| C9 | N3 | C26 | H13 | 60.0° | 30.0° |
| C9 | N3 | C26 | H14 | 60.0° | 149.9° |
| N3 | C9 | H19 | H20 | 117.9° | 120.1° |
| N3 | C9 | C10 | H21 | 8.1° | 60.0° |
| N3 | C9 | C10 | H22 | 110.3° | 60.0° |
| C26 | N3 | C8 | S2 | 176.7° | 180.0° |
| C26 | N3 | C8 | N2 | 8.8° | 0.0° |
| N3 | C26 | H12 | H13 | 120.0° | 120.1° |
| N3 | C26 | H12 | H14 | 120.0° | 120.0° |
| N3 | C26 | H13 | H14 | 120.0° | 120.0° |
| C26 | N3 | C9 | H19 | 39.4° | 150.0° |
| C26 | N3 | C9 | H20 | 158.1° | 29.9° |
| N3 | C8 | S2 | N2 | 174.1° | 180.0° |
| N3 | C8 | N2 | C7 | 30.6° | 180.0° |
| C8 | N3 | C26 | H12 | 1.1° | 90.0° |
| C8 | N3 | C26 | H13 | 121.1° | 149.9° |
| C8 | N3 | C26 | H14 | 118.9° | 30.0° |
| N3 | C8 | N2 | H18 | 149.4° | 0.0° |
| C8 | N3 | C9 | H19 | 139.6° | 29.9° |
| C8 | N3 | C9 | H20 | 20.9° | 150.0° |
| S2 | C8 | N2 | C7 | 155.0° | 0.0° |
| S2 | C8 | N2 | H18 | 25.0° | 180.0° |
| C8 | N2 | C7 | H18 | 180.0° | 180.0° |
| C8 | N2 | C7 | C5 | 164.7° | 180.0° |
| C8 | N2 | C7 | H4 | 44.4° | 60.0° |
| C8 | N2 | C7 | H5 | 75.1° | 60.0° |
| N2 | C7 | C5 | H4 | 120.2° | 120.0° |
| N2 | C7 | C5 | H5 | 120.3° | 120.0° |
| N2 | C7 | C5 | C3 | 104.4° | 90.0° |
| N2 | C7 | C5 | C6 | 74.2° | 90.9° |
| N2 | C7 | H4 | H5 | 119.2° | 120.0° |
| C7 | C5 | C3 | C6 | 178.6° | 179.1° |
| C7 | C5 | C3 | C1 | 173.8° | 180.0° |
| C7 | C5 | C6 | C4 | 175.0° | 179.7° |
| C7 | C5 | C3 | H1 | 6.2° | 0.9° |
| C7 | C5 | C6 | H3 | 5.0° | 0.3° |
| C5 | C7 | H4 | H5 | 119.2° | 120.1° |
| C5 | C7 | N2 | H18 | 15.3° | 0.0° |
| C5 | C3 | C1 | H1 | 180.0° | 179.1° |
| C5 | C3 | C1 | C2 | 4.9° | 0.6° |
| C3 | C5 | C6 | C4 | 6.4° | 0.6° |
| C3 | C5 | C6 | H3 | 173.6° | 179.4° |
| C3 | C5 | C7 | H4 | 15.9° | 150.0° |
| C3 | C5 | C7 | H5 | 135.4° | 29.9° |
| C5 | C3 | C1 | H15 | 175.1° | 180.0° |
| C1 | C3 | C5 | C6 | 7.7° | 0.9° |
| C3 | C1 | C2 | H15 | 180.0° | 179.5° |
| C3 | C1 | C2 | C4 | 0.8° | 0.0° |
| C3 | C1 | C2 | S1 | 178.0° | 179.7° |
| C5 | C6 | C4 | H3 | 180.0° | 180.0° |
| C5 | C6 | C4 | C2 | 2.4° | 0.0° |
| C6 | C5 | C3 | H1 | 172.3° | 180.0° |
| C5 | C6 | C4 | H2 | 177.6° | 180.0° |
| C6 | C5 | C7 | H4 | 165.5° | 29.1° |
| C6 | C5 | C7 | H5 | 46.0° | 149.2° |
| C1 | C2 | C4 | C6 | 0.4° | 0.3° |
| C1 | C2 | C4 | S1 | 178.8° | 179.7° |
| C1 | C2 | S1 | O2 | 14.3° | 156.1° |
| C1 | C2 | S1 | O1 | 111.2° | 23.2° |
| C1 | C2 | S1 | N1 | 131.2° | 90.3° |
| C2 | C1 | C3 | H1 | 175.1° | 179.7° |
| C1 | C2 | C4 | H2 | 179.6° | 179.7° |
| C6 | C4 | C2 | H2 | 180.0° | 180.0° |
| C6 | C4 | C2 | S1 | 179.2° | 180.0° |
| C4 | C2 | S1 | O2 | 166.9° | 23.5° |
| C4 | C2 | S1 | O1 | 67.6° | 156.5° |
| C4 | C2 | S1 | N1 | 50.0° | 90.0° |
| C2 | C4 | C6 | H3 | 177.6° | 180.0° |
| C4 | C2 | C1 | H15 | 179.2° | 179.4° |
| C2 | S1 | O2 | O1 | 118.5° | 123.0° |
| C2 | S1 | O2 | N1 | 115.5° | 114.1° |
| C2 | S1 | O1 | N1 | 116.3° | 114.1° |
| S1 | C2 | C4 | H2 | 0.8° | 0.0° |
| S1 | C2 | C1 | H15 | 2.0° | 0.2° |
| C2 | S1 | N1 | H16 | 180.0° | 0.0° |
| C2 | S1 | N1 | H17 | 60.0° | 180.0° |
| O2 | S1 | O1 | N1 | 126.0° | 123.0° |
| O2 | S1 | N1 | H16 | 66.1° | 113.6° |
| O2 | S1 | N1 | H17 | 54.0° | 66.5° |
| O1 | S1 | N1 | H16 | 64.3° | 113.5° |
| O1 | S1 | N1 | H17 | 175.6° | 66.4° |
| S1 | N1 | H16 | H17 | 120.0° | 179.9° |
| H1 | C3 | C1 | H15 | 4.9° | 0.9° |
| H2 | C4 | C6 | H3 | 2.4° | 0.0° |
| H4 | C7 | N2 | H18 | 135.6° | 120.0° |
| H5 | C7 | N2 | H18 | 104.9° | 120.0° |
| H6 | C13 | C15 | H8 | 0.6° | 0.3° |
| H7 | C14 | C15 | H8 | 1.7° | 0.3° |
| H9 | C21 | C20 | H26 | 1.2° | 0.1° |
| H10 | C24 | C25 | H11 | 1.0° | 0.0° |
| H11 | C25 | C23 | H25 | 2.9° | 0.0° |
| H12 | C26 | H13 | H14 | 120.0° | 120.0° |
| H19 | C9 | C10 | H21 | 128.8° | 180.0° |
| H19 | C9 | C10 | H22 | 10.4° | 60.0° |
| H20 | C9 | C10 | H21 | 112.5° | 60.0° |
| H20 | C9 | C10 | H22 | 129.1° | 180.0° |
| H21 | C10 | C11 | H23 | 92.1° | 65.0° |
| H22 | C10 | C11 | H23 | 149.5° | 175.0° |
| H24 | C22 | C23 | H25 | 9.7° | 0.0° |
| H26 | C20 | C18 | H27 | 4.7° | 0.3° |
