A1I9C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C9 | sing | 1.36Å | 1.37Å | Aromatic |
| C15 | N1 | sing | 1.47Å | 1.44Å | |
| C8 | C10 | sing | 1.36Å | 1.37Å | Aromatic |
| C9 | C1 | doub | 1.40Å | 1.44Å | Aromatic |
| C10 | C2 | doub | 1.40Å | 1.43Å | Aromatic |
| N1 | C13 | sing | 1.47Å | 1.48Å | |
| N1 | C14 | sing | 1.35Å | 1.35Å | |
| C13 | C12 | sing | 1.53Å | 1.57Å | |
| C20 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| O2 | C14 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.42Å | 1.45Å | Aromatic |
| C1 | C3 | sing | 1.41Å | 1.45Å | Aromatic |
| C2 | C4 | sing | 1.40Å | 1.43Å | Aromatic |
| C14 | O3 | sing | 1.35Å | 1.35Å | |
| O1 | C3 | sing | 1.36Å | 1.40Å | |
| O1 | C11 | sing | 1.43Å | 1.45Å | |
| C3 | C5 | doub | 1.37Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C16 | O3 | sing | 1.36Å | 1.42Å | |
| C16 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C29 | sing | 1.51Å | 1.52Å | |
| C17 | N2 | sing | 1.40Å | 1.37Å | |
| C17 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C6 | doub | 1.36Å | 1.37Å | Aromatic |
| N2 | C22 | sing | 1.35Å | 1.36Å | |
| S1 | C22 | doub | 1.71Å | 1.68Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | N3 | sing | 1.35Å | 1.36Å | |
| C21 | C19 | sing | 1.38Å | 1.36Å | Aromatic |
| C29 | S3 | sing | 1.76Å | 1.76Å | Aromatic |
| C29 | C30 | doub | 1.33Å | 1.38Å | Aromatic |
| S3 | C32 | sing | 1.76Å | 1.68Å | Aromatic |
| N3 | C23 | sing | 1.40Å | 1.43Å | |
| C30 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | doub | 1.33Å | 1.33Å | Aromatic |
| C27 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C28 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | S2 | sing | 1.76Å | 1.77Å | |
| O5 | S2 | doub | 1.42Å | 1.45Å | |
| S2 | O4 | doub | 1.42Å | 1.44Å | |
| S2 | N4 | sing | 1.66Å | 1.60Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C25 | H8 | sing | 1.08Å | 1.08Å | |
| N4 | H9 | sing | 0.97Å | 1.00Å | |
| N4 | H10 | sing | 0.97Å | 1.00Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.08Å | 1.08Å | |
| C31 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C9 | H28 | sing | 1.08Å | 1.08Å | |
| C7 | H29 | sing | 1.08Å | 1.08Å | |
| C10 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C9 | 120.7° | 121.0° |
| C7 | C8 | C10 | 119.9° | 121.0° |
| C7 | C8 | H1 | 120.0° | 119.5° |
| C8 | C7 | H29 | 119.7° | 119.5° |
| C7 | C9 | C1 | 122.5° | 119.7° |
| C7 | C9 | H28 | 118.7° | 120.2° |
| C9 | C7 | H29 | 119.7° | 119.5° |
| C15 | N1 | C13 | 115.7° | 120.0° |
| C15 | N1 | C14 | 114.4° | 120.0° |
| N1 | C15 | H17 | 109.5° | 109.4° |
| N1 | C15 | H18 | 109.5° | 109.5° |
| N1 | C15 | H19 | 109.5° | 109.5° |
| C8 | C10 | C2 | 121.8° | 119.7° |
| C10 | C8 | H1 | 120.0° | 119.6° |
| C8 | C10 | H30 | 119.1° | 120.1° |
| C9 | C1 | C2 | 116.2° | 119.4° |
| C9 | C1 | C3 | 125.9° | 121.3° |
| C1 | C9 | H28 | 118.7° | 120.2° |
| C10 | C2 | C1 | 118.8° | 119.3° |
| C10 | C2 | C4 | 122.1° | 121.3° |
| C2 | C10 | H30 | 119.1° | 120.2° |
| C13 | N1 | C14 | 129.2° | 120.0° |
| N1 | C13 | C12 | 115.9° | 109.5° |
| N1 | C13 | H20 | 107.8° | 109.5° |
| N1 | C13 | H21 | 107.8° | 109.4° |
| N1 | C14 | O2 | 126.7° | 120.0° |
| N1 | C14 | O3 | 108.2° | 120.0° |
| C13 | C12 | C11 | 112.4° | 109.5° |
| C12 | C13 | H20 | 107.9° | 109.5° |
| C12 | C13 | H21 | 107.8° | 109.5° |
| C13 | C12 | H22 | 108.7° | 109.4° |
| C13 | C12 | H23 | 108.7° | 109.5° |
| C18 | C20 | C16 | 118.1° | 120.0° |
| C20 | C18 | C17 | 120.0° | 120.0° |
| C20 | C18 | H15 | 120.0° | 120.0° |
| C18 | C20 | H16 | 121.0° | 120.1° |
| C20 | C16 | O3 | 125.5° | 120.0° |
| C20 | C16 | C21 | 121.0° | 120.0° |
| C16 | C20 | H16 | 120.9° | 119.9° |
| C18 | C17 | N2 | 120.3° | 120.0° |
| C18 | C17 | C19 | 120.3° | 120.0° |
| C17 | C18 | H15 | 120.0° | 120.0° |
| O2 | C14 | O3 | 124.9° | 120.0° |
| C2 | C1 | C3 | 117.9° | 119.3° |
| C1 | C2 | C4 | 119.1° | 119.4° |
| C1 | C3 | O1 | 116.0° | 120.2° |
| C1 | C3 | C5 | 119.7° | 119.6° |
| C2 | C4 | C6 | 121.0° | 119.8° |
| C2 | C4 | H6 | 119.5° | 120.2° |
| C14 | O3 | C16 | 117.6° | 117.0° |
| C3 | O1 | C11 | 118.9° | 117.0° |
| O1 | C3 | C5 | 124.2° | 120.2° |
| O1 | C11 | C12 | 107.2° | 109.4° |
| O1 | C11 | C29 | 109.9° | 109.4° |
| O1 | C11 | H24 | 107.8° | 109.5° |
| C3 | C5 | C6 | 121.3° | 120.9° |
| C3 | C5 | H2 | 119.3° | 119.5° |
| C12 | C11 | C29 | 117.8° | 109.5° |
| C11 | C12 | H22 | 108.7° | 109.5° |
| C11 | C12 | H23 | 108.8° | 109.5° |
| C12 | C11 | H24 | 107.0° | 109.5° |
| O3 | C16 | C21 | 113.5° | 120.0° |
| C16 | C21 | C19 | 121.1° | 120.0° |
| C16 | C21 | H14 | 119.5° | 120.0° |
| C11 | C29 | S3 | 121.7° | 125.2° |
| C11 | C29 | C30 | 130.1° | 125.2° |
| C29 | C11 | H24 | 106.9° | 109.5° |
| N2 | C17 | C19 | 118.5° | 120.0° |
| C17 | N2 | C22 | 133.3° | 120.0° |
| C17 | N2 | H4 | 113.4° | 120.0° |
| C17 | C19 | C21 | 119.3° | 120.0° |
| C17 | C19 | H13 | 120.3° | 120.0° |
| C4 | C6 | C5 | 120.9° | 121.0° |
| C4 | C6 | H3 | 119.6° | 119.5° |
| C6 | C4 | H6 | 119.5° | 120.0° |
| N2 | C22 | S1 | 121.9° | 120.0° |
| N2 | C22 | N3 | 110.2° | 120.0° |
| C22 | N2 | H4 | 113.4° | 120.0° |
| S1 | C22 | N3 | 127.8° | 120.0° |
| C6 | C5 | H2 | 119.4° | 119.5° |
| C5 | C6 | H3 | 119.6° | 119.5° |
| C22 | N3 | C23 | 132.4° | 120.0° |
| C22 | N3 | H5 | 113.8° | 120.0° |
| C21 | C19 | H13 | 120.4° | 120.0° |
| C19 | C21 | H14 | 119.4° | 120.0° |
| S3 | C29 | C30 | 108.2° | 109.6° |
| C29 | S3 | C32 | 92.0° | 91.0° |
| C29 | C30 | C31 | 113.3° | 114.9° |
| C29 | C30 | H27 | 123.4° | 122.5° |
| S3 | C32 | C31 | 112.8° | 109.6° |
| S3 | C32 | H25 | 123.6° | 125.3° |
| N3 | C23 | C27 | 116.9° | 120.0° |
| N3 | C23 | C24 | 126.1° | 120.1° |
| C23 | N3 | H5 | 113.8° | 120.0° |
| C30 | C31 | C32 | 113.6° | 114.9° |
| C30 | C31 | H26 | 123.2° | 122.5° |
| C31 | C30 | H27 | 123.3° | 122.6° |
| C31 | C32 | H25 | 123.6° | 125.2° |
| C32 | C31 | H26 | 123.2° | 122.5° |
| C23 | C27 | C28 | 122.1° | 119.9° |
| C27 | C23 | C24 | 116.7° | 119.9° |
| C23 | C27 | H12 | 119.0° | 120.1° |
| C27 | C28 | C26 | 120.3° | 120.1° |
| C27 | C28 | H11 | 119.8° | 119.9° |
| C28 | C27 | H12 | 118.9° | 120.0° |
| C23 | C24 | C25 | 121.9° | 119.9° |
| C23 | C24 | H7 | 119.1° | 120.1° |
| C28 | C26 | C25 | 119.3° | 120.2° |
| C28 | C26 | S2 | 120.1° | 119.9° |
| C26 | C28 | H11 | 119.9° | 120.0° |
| C24 | C25 | C26 | 119.5° | 120.1° |
| C25 | C24 | H7 | 119.1° | 120.0° |
| C24 | C25 | H8 | 120.2° | 119.9° |
| C25 | C26 | S2 | 120.3° | 119.9° |
| C26 | C25 | H8 | 120.2° | 120.0° |
| C26 | S2 | O5 | 105.9° | 106.4° |
| C26 | S2 | O4 | 107.6° | 106.4° |
| C26 | S2 | N4 | 109.6° | 107.2° |
| O5 | S2 | O4 | 118.3° | 123.2° |
| O5 | S2 | N4 | 109.2° | 106.4° |
| O4 | S2 | N4 | 106.1° | 106.4° |
| S2 | N4 | H9 | 109.5° | 120.0° |
| S2 | N4 | H10 | 109.4° | 120.0° |
| H9 | N4 | H10 | 109.4° | 120.0° |
| H17 | C15 | H18 | 109.4° | 109.5° |
| H17 | C15 | H19 | 109.4° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.4° |
| H22 | C12 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C9 | H29 | 180.0° | 180.0° |
| C7 | C8 | C10 | H1 | 180.0° | 179.7° |
| C8 | C7 | C9 | C1 | 0.1° | 0.6° |
| C7 | C8 | C10 | C2 | 0.1° | 0.2° |
| C8 | C7 | C9 | H28 | 179.9° | 179.7° |
| C7 | C8 | C10 | H30 | 179.9° | 179.7° |
| C9 | C7 | C8 | C10 | 0.2° | 0.0° |
| C7 | C9 | C1 | H28 | 180.0° | 179.2° |
| C7 | C9 | C1 | C2 | 0.1° | 0.9° |
| C7 | C9 | C1 | C3 | 179.4° | 179.7° |
| C9 | C7 | C8 | H1 | 179.8° | 179.7° |
| C15 | N1 | C13 | C14 | 170.0° | 180.0° |
| C15 | N1 | C13 | C12 | 144.2° | 90.0° |
| C15 | N1 | C14 | O2 | 6.1° | 180.0° |
| C15 | N1 | C14 | O3 | 178.7° | 0.0° |
| N1 | C15 | H17 | H18 | 120.0° | 120.0° |
| N1 | C15 | H17 | H19 | 120.0° | 120.0° |
| N1 | C15 | H18 | H19 | 120.0° | 120.0° |
| C15 | N1 | C13 | H20 | 94.9° | 30.1° |
| C15 | N1 | C13 | H21 | 23.2° | 150.0° |
| C8 | C10 | C2 | H30 | 180.0° | 179.9° |
| C8 | C10 | C2 | C1 | 0.1° | 0.1° |
| C8 | C10 | C2 | C4 | 179.9° | 180.0° |
| C10 | C8 | C7 | H29 | 179.8° | 180.0° |
| C9 | C1 | C2 | C10 | 0.2° | 0.6° |
| C9 | C1 | C2 | C3 | 179.4° | 179.4° |
| C9 | C1 | C2 | C4 | 180.0° | 179.5° |
| C9 | C1 | C3 | O1 | 0.6° | 0.5° |
| C9 | C1 | C3 | C5 | 179.6° | 179.5° |
| C1 | C9 | C7 | H29 | 179.9° | 179.4° |
| C10 | C2 | C1 | C4 | 179.8° | 179.9° |
| C10 | C2 | C1 | C3 | 179.5° | 179.9° |
| C10 | C2 | C4 | C6 | 179.9° | 179.9° |
| C2 | C10 | C8 | H1 | 179.9° | 179.9° |
| C10 | C2 | C4 | H6 | 0.1° | 0.1° |
| N1 | C13 | C12 | H20 | 120.9° | 120.0° |
| N1 | C13 | C12 | H21 | 120.9° | 120.0° |
| C13 | N1 | C14 | O2 | 176.1° | 0.0° |
| C13 | N1 | C14 | O3 | 8.6° | 180.0° |
| N1 | C13 | C12 | C11 | 178.5° | 180.0° |
| C13 | N1 | C15 | H17 | 180.0° | 90.0° |
| C13 | N1 | C15 | H18 | 60.0° | 150.1° |
| C13 | N1 | C15 | H19 | 60.0° | 30.0° |
| N1 | C13 | H20 | H21 | 117.1° | 119.9° |
| N1 | C13 | C12 | H22 | 61.1° | 60.0° |
| N1 | C13 | C12 | H23 | 58.0° | 60.0° |
| C14 | N1 | C13 | C12 | 45.9° | 90.0° |
| N1 | C14 | O2 | O3 | 174.5° | 180.0° |
| N1 | C14 | O3 | C16 | 82.8° | 174.6° |
| C14 | N1 | C15 | H17 | 8.5° | 90.0° |
| C14 | N1 | C15 | H18 | 128.5° | 30.0° |
| C14 | N1 | C15 | H19 | 111.5° | 150.0° |
| C14 | N1 | C13 | H20 | 75.0° | 150.0° |
| C14 | N1 | C13 | H21 | 166.8° | 30.1° |
| C13 | C12 | C11 | O1 | 58.8° | 65.0° |
| C13 | C12 | C11 | H22 | 120.4° | 120.0° |
| C13 | C12 | C11 | H23 | 120.5° | 120.0° |
| C13 | C12 | C11 | C29 | 176.8° | 175.0° |
| C12 | C13 | H20 | H21 | 117.1° | 120.0° |
| C13 | C12 | H22 | H23 | 118.7° | 120.0° |
| C13 | C12 | C11 | H24 | 56.5° | 55.0° |
| C18 | C20 | C16 | H16 | 180.0° | 179.9° |
| C20 | C18 | C17 | H15 | 180.0° | 180.0° |
| C18 | C20 | C16 | O3 | 179.5° | 180.0° |
| C18 | C20 | C16 | C21 | 0.1° | 0.3° |
| C20 | C18 | C17 | N2 | 174.4° | 180.0° |
| C20 | C18 | C17 | C19 | 4.9° | 0.3° |
| C16 | C20 | C18 | C17 | 2.7° | 0.0° |
| C20 | C16 | O3 | C14 | 19.7° | 76.1° |
| C20 | C16 | O3 | C21 | 179.5° | 179.8° |
| C20 | C16 | C21 | C19 | 0.4° | 0.3° |
| C20 | C16 | C21 | H14 | 179.6° | 179.7° |
| C16 | C20 | C18 | H15 | 177.4° | 180.0° |
| C18 | C17 | N2 | C19 | 169.7° | 179.7° |
| C18 | C17 | N2 | C22 | 148.8° | 134.0° |
| C18 | C17 | C19 | C21 | 4.4° | 0.3° |
| C18 | C17 | N2 | H4 | 31.2° | 46.0° |
| C18 | C17 | C19 | H13 | 175.6° | 179.7° |
| C17 | C18 | C20 | H16 | 177.3° | 179.9° |
| O2 | C14 | O3 | C16 | 101.9° | 5.4° |
| C2 | C1 | C3 | O1 | 179.9° | 180.0° |
| C2 | C1 | C3 | C5 | 1.1° | 0.0° |
| C1 | C2 | C4 | C6 | 0.1° | 0.0° |
| C1 | C2 | C4 | H6 | 179.9° | 179.9° |
| C2 | C1 | C9 | H28 | 179.9° | 180.0° |
| C1 | C2 | C10 | H30 | 179.9° | 180.0° |
| C3 | C1 | C2 | C4 | 0.7° | 0.0° |
| C1 | C3 | O1 | C5 | 179.0° | 180.0° |
| C1 | C3 | O1 | C11 | 76.4° | 174.0° |
| C1 | C3 | C5 | C6 | 1.1° | 0.0° |
| C1 | C3 | C5 | H2 | 178.9° | 180.0° |
| C3 | C1 | C9 | H28 | 0.6° | 0.6° |
| C2 | C4 | C6 | H6 | 180.0° | 180.0° |
| C2 | C4 | C6 | C5 | 0.1° | 0.0° |
| C2 | C4 | C6 | H3 | 179.9° | 179.9° |
| C4 | C2 | C10 | H30 | 0.1° | 0.1° |
| C14 | O3 | C16 | C21 | 160.8° | 104.1° |
| C3 | O1 | C11 | C12 | 167.3° | 156.0° |
| C3 | O1 | C11 | C29 | 38.2° | 84.1° |
| O1 | C3 | C5 | C6 | 180.0° | 180.0° |
| O1 | C3 | C5 | H2 | 0.0° | 0.0° |
| C3 | O1 | C11 | H24 | 77.9° | 35.9° |
| C11 | O1 | C3 | C5 | 104.6° | 6.0° |
| O1 | C11 | C12 | C29 | 124.4° | 119.9° |
| O1 | C11 | C12 | H24 | 115.4° | 120.1° |
| O1 | C11 | C29 | H24 | 116.7° | 120.0° |
| O1 | C11 | C29 | S3 | 94.6° | 34.9° |
| O1 | C11 | C29 | C30 | 84.9° | 144.7° |
| O1 | C11 | C12 | H22 | 179.3° | 175.0° |
| O1 | C11 | C12 | H23 | 61.6° | 55.0° |
| C3 | C5 | C6 | C4 | 0.5° | 0.0° |
| C3 | C5 | C6 | H2 | 180.0° | 179.9° |
| C3 | C5 | C6 | H3 | 179.5° | 180.0° |
| C12 | C11 | C29 | H24 | 120.3° | 120.0° |
| C12 | C11 | C29 | S3 | 142.4° | 85.0° |
| C12 | C11 | C29 | C30 | 38.1° | 95.3° |
| C11 | C12 | C13 | H20 | 57.5° | 60.0° |
| C11 | C12 | C13 | H21 | 60.6° | 60.0° |
| C11 | C12 | H22 | H23 | 118.7° | 120.0° |
| O3 | C16 | C21 | C19 | 179.1° | 179.9° |
| O3 | C16 | C21 | H14 | 0.9° | 0.0° |
| O3 | C16 | C20 | H16 | 0.4° | 0.0° |
| C16 | C21 | C19 | C17 | 1.7° | 0.0° |
| C16 | C21 | C19 | H14 | 180.0° | 180.0° |
| C16 | C21 | C19 | H13 | 178.3° | 180.0° |
| C21 | C16 | C20 | H16 | 179.9° | 179.8° |
| C11 | C29 | S3 | C30 | 179.6° | 179.7° |
| C11 | C29 | S3 | C32 | 179.3° | 179.9° |
| C11 | C29 | C30 | C31 | 179.4° | 179.9° |
| C29 | C11 | C12 | H22 | 56.4° | 55.0° |
| C29 | C11 | C12 | H23 | 62.8° | 65.0° |
| C11 | C29 | C30 | H27 | 0.6° | 0.0° |
| C17 | N2 | C22 | H4 | 180.0° | 180.0° |
| C17 | N2 | C22 | S1 | 159.9° | 4.2° |
| C17 | N2 | C22 | N3 | 23.7° | 175.9° |
| N2 | C17 | C19 | C21 | 174.1° | 180.0° |
| N2 | C17 | C19 | H13 | 5.9° | 0.0° |
| N2 | C17 | C18 | H15 | 5.6° | 0.0° |
| C19 | C17 | N2 | C22 | 20.9° | 46.3° |
| C17 | C19 | C21 | H13 | 180.0° | 180.0° |
| C19 | C17 | N2 | H4 | 159.1° | 133.7° |
| C17 | C19 | C21 | H14 | 178.2° | 180.0° |
| C19 | C17 | C18 | H15 | 175.1° | 179.7° |
| C4 | C6 | C5 | H3 | 180.0° | 179.9° |
| C4 | C6 | C5 | H2 | 179.5° | 180.0° |
| N2 | C22 | S1 | N3 | 175.7° | 179.9° |
| N2 | C22 | N3 | C23 | 177.6° | 173.9° |
| N2 | C22 | N3 | H5 | 2.4° | 6.1° |
| S1 | C22 | N3 | C23 | 6.3° | 6.1° |
| S1 | C22 | N2 | H4 | 20.1° | 175.8° |
| S1 | C22 | N3 | H5 | 173.7° | 174.0° |
| C5 | C6 | C4 | H6 | 179.9° | 179.9° |
| C22 | N3 | C23 | H5 | 180.0° | 180.0° |
| C22 | N3 | C23 | C27 | 36.5° | 142.2° |
| C22 | N3 | C23 | C24 | 150.5° | 38.4° |
| N3 | C22 | N2 | H4 | 156.3° | 4.2° |
| S3 | C29 | C30 | C31 | 0.1° | 0.4° |
| C29 | S3 | C32 | C31 | 0.4° | 0.0° |
| S3 | C29 | C11 | H24 | 22.1° | 155.0° |
| C29 | S3 | C32 | H25 | 179.5° | 180.0° |
| S3 | C29 | C30 | H27 | 179.8° | 179.8° |
| C30 | C29 | S3 | C32 | 0.3° | 0.2° |
| C29 | C30 | C31 | H27 | 180.0° | 179.8° |
| C29 | C30 | C31 | C32 | 0.2° | 0.4° |
| C30 | C29 | C11 | H24 | 158.4° | 24.7° |
| C29 | C30 | C31 | H26 | 179.8° | 179.8° |
| S3 | C32 | C31 | C30 | 0.4° | 0.2° |
| S3 | C32 | C31 | H25 | 180.0° | 180.0° |
| S3 | C32 | C31 | H26 | 179.6° | 180.0° |
| N3 | C23 | C27 | C24 | 173.7° | 179.4° |
| N3 | C23 | C27 | C28 | 178.8° | 180.0° |
| N3 | C23 | C24 | C25 | 177.6° | 180.0° |
| N3 | C23 | C24 | H7 | 2.4° | 0.3° |
| N3 | C23 | C27 | H12 | 1.2° | 0.6° |
| C30 | C31 | C32 | H26 | 180.0° | 179.8° |
| C30 | C31 | C32 | H25 | 179.6° | 179.8° |
| C32 | C31 | C30 | H27 | 179.9° | 179.7° |
| C23 | C27 | C28 | H12 | 180.0° | 179.4° |
| C23 | C27 | C28 | C26 | 1.8° | 0.3° |
| C27 | C23 | C24 | C25 | 4.6° | 0.6° |
| C27 | C23 | N3 | H5 | 143.5° | 37.9° |
| C27 | C23 | C24 | H7 | 175.4° | 179.7° |
| C23 | C27 | C28 | H11 | 178.2° | 179.7° |
| C28 | C27 | C23 | C24 | 5.1° | 0.6° |
| C27 | C28 | C26 | H11 | 180.0° | 180.0° |
| C27 | C28 | C26 | C25 | 2.3° | 0.0° |
| C27 | C28 | C26 | S2 | 176.6° | 180.0° |
| C23 | C24 | C25 | H7 | 180.0° | 179.7° |
| C23 | C24 | C25 | C26 | 0.7° | 0.3° |
| C24 | C23 | N3 | H5 | 29.6° | 141.6° |
| C23 | C24 | C25 | H8 | 179.3° | 179.7° |
| C24 | C23 | C27 | H12 | 174.9° | 180.0° |
| C28 | C26 | C25 | C24 | 2.7° | 0.0° |
| C28 | C26 | C25 | S2 | 174.3° | 179.9° |
| C28 | C26 | S2 | O5 | 14.0° | 156.4° |
| C28 | C26 | S2 | O4 | 113.4° | 23.5° |
| C28 | C26 | S2 | N4 | 131.7° | 90.0° |
| C28 | C26 | C25 | H8 | 177.3° | 180.0° |
| C26 | C28 | C27 | H12 | 178.2° | 179.7° |
| C24 | C25 | C26 | H8 | 180.0° | 180.0° |
| C24 | C25 | C26 | S2 | 177.0° | 180.0° |
| C25 | C26 | S2 | O5 | 171.7° | 23.5° |
| C25 | C26 | S2 | O4 | 60.9° | 156.4° |
| C25 | C26 | S2 | N4 | 54.0° | 90.0° |
| C26 | C25 | C24 | H7 | 179.2° | 180.0° |
| C25 | C26 | C28 | H11 | 177.7° | 180.0° |
| C26 | S2 | O5 | O4 | 120.7° | 122.9° |
| C26 | S2 | O5 | N4 | 117.9° | 114.1° |
| C26 | S2 | O4 | N4 | 117.2° | 114.1° |
| S2 | C26 | C25 | H8 | 3.0° | 0.1° |
| C26 | S2 | N4 | H9 | 180.0° | 0.0° |
| C26 | S2 | N4 | H10 | 60.0° | 180.0° |
| S2 | C26 | C28 | H11 | 3.4° | 0.1° |
| O5 | S2 | O4 | N4 | 123.0° | 123.0° |
| O5 | S2 | N4 | H9 | 64.4° | 113.5° |
| O5 | S2 | N4 | H10 | 55.6° | 66.4° |
| O4 | S2 | N4 | H9 | 64.2° | 113.5° |
| O4 | S2 | N4 | H10 | 175.9° | 66.5° |
| S2 | N4 | H9 | H10 | 120.0° | 179.9° |
| H1 | C8 | C7 | H29 | 0.2° | 0.3° |
| H1 | C8 | C10 | H30 | 0.1° | 0.1° |
| H2 | C5 | C6 | H3 | 0.5° | 0.1° |
| H3 | C6 | C4 | H6 | 0.1° | 0.0° |
| H7 | C24 | C25 | H8 | 0.8° | 0.0° |
| H11 | C28 | C27 | H12 | 1.8° | 0.3° |
| H13 | C19 | C21 | H14 | 1.8° | 0.0° |
| H15 | C18 | C20 | H16 | 2.7° | 0.0° |
| H17 | C15 | H18 | H19 | 120.0° | 120.0° |
| H20 | C13 | C12 | H22 | 177.9° | 180.0° |
| H20 | C13 | C12 | H23 | 62.9° | 60.1° |
| H21 | C13 | C12 | H22 | 59.8° | 60.0° |
| H21 | C13 | C12 | H23 | 178.9° | 179.9° |
| H22 | C12 | C11 | H24 | 63.9° | 64.9° |
| H23 | C12 | C11 | H24 | 177.0° | 175.1° |
| H25 | C32 | C31 | H26 | 0.5° | 0.0° |
| H26 | C31 | C30 | H27 | 0.2° | 0.0° |
| H28 | C9 | C7 | H29 | 0.1° | 0.3° |
