4IR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.43Å | 1.43Å | |
| C1 | O1 | doub | 1.41Å | 1.41Å | |
| C1 | N2 | sing | 1.43Å | 1.43Å | |
| N1 | C2 | sing | 1.45Å | 1.45Å | |
| N1 | HN1 | sing | 1.00Å | 1.00Å | |
| S1 | C3 | sing | 1.76Å | 1.76Å | |
| S1 | C5 | sing | 1.78Å | 1.78Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.10Å | 1.10Å | |
| N2 | C4 | sing | 1.45Å | 1.45Å | |
| N2 | HN2 | sing | 1.00Å | 1.00Å | |
| O2 | C10 | doub | 1.43Å | 1.43Å | |
| S2 | O3 | doub | 1.49Å | 1.49Å | |
| S2 | N4 | sing | 1.59Å | 1.59Å | |
| S2 | O4 | doub | 1.49Å | 1.49Å | |
| S2 | C16 | sing | 1.61Å | 1.61Å | |
| C3 | H3 | sing | 1.10Å | 1.10Å | |
| C3 | H3A | sing | 1.10Å | 1.10Å | |
| N3 | C10 | sing | 1.44Å | 1.44Å | |
| N3 | C11 | sing | 1.36Å | 1.36Å | |
| N3 | HN3 | sing | 1.00Å | 1.00Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.10Å | 1.10Å | |
| N4 | C27 | sing | 1.48Å | 1.48Å | |
| N4 | HN4 | sing | 1.00Å | 1.00Å | |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| N5 | C28 | sing | 1.44Å | 1.44Å | |
| N5 | HN5 | sing | 1.00Å | 1.00Å | |
| N5 | HN5A | sing | 1.00Å | 1.00Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.10Å | 1.10Å | |
| C6 | H6A | sing | 1.10Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H7 | sing | 1.10Å | 1.10Å | |
| C7 | H7A | sing | 1.10Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.10Å | 1.10Å | |
| C8 | H8A | sing | 1.10Å | 1.10Å | |
| C9 | C10 | sing | 1.52Å | 1.52Å | |
| C9 | H9 | sing | 1.10Å | 1.10Å | |
| C9 | H9A | sing | 1.10Å | 1.10Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.41Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.50Å | 1.50Å | |
| C17 | C21 | doub | 1.49Å | 1.49Å | |
| C17 | C22 | sing | 1.52Å | 1.52Å | |
| C18 | C19 | sing | 1.50Å | 1.50Å | |
| C18 | C23 | sing | 1.52Å | 1.52Å | |
| C18 | H18 | sing | 1.10Å | 1.10Å | |
| C19 | C20 | sing | 1.49Å | 1.49Å | |
| C19 | C24 | sing | 1.52Å | 1.52Å | |
| C19 | H19 | sing | 1.10Å | 1.10Å | |
| C20 | C21 | sing | 1.50Å | 1.50Å | |
| C20 | C25 | sing | 1.52Å | 1.52Å | |
| C20 | H20 | sing | 1.10Å | 1.10Å | |
| C21 | C26 | sing | 1.52Å | 1.52Å | |
| C22 | H22 | sing | 1.10Å | 1.10Å | |
| C22 | H22A | sing | 1.10Å | 1.10Å | |
| C22 | H22B | sing | 1.10Å | 1.10Å | |
| C23 | H23 | sing | 1.10Å | 1.10Å | |
| C23 | H23A | sing | 1.10Å | 1.10Å | |
| C23 | H23B | sing | 1.10Å | 1.10Å | |
| C24 | H24 | sing | 1.10Å | 1.10Å | |
| C24 | H24A | sing | 1.10Å | 1.10Å | |
| C24 | H24B | sing | 1.10Å | 1.10Å | |
| C25 | H25 | sing | 1.10Å | 1.10Å | |
| C25 | H25A | sing | 1.10Å | 1.10Å | |
| C25 | H25B | sing | 1.10Å | 1.10Å | |
| C26 | H26 | sing | 1.10Å | 1.10Å | |
| C26 | H26A | sing | 1.10Å | 1.10Å | |
| C26 | H26B | sing | 1.10Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H27 | sing | 1.10Å | 1.10Å | |
| C27 | H27A | sing | 1.10Å | 1.10Å | |
| C28 | H28 | sing | 1.10Å | 1.10Å | |
| C28 | H28A | sing | 1.10Å | 1.10Å | |
| IR1 | CL1 | sing | 2.23Å | 2.23Å | |
| IR1 | N4 | sing | 2.17Å | 2.17Å | |
| IR1 | N5 | sing | 2.19Å | 2.19Å | |
| IR1 | C21 | sing | 2.11Å | 2.11Å | |
| IR1 | C17 | sing | 2.11Å | 2.11Å | |
| IR1 | C18 | sing | 2.11Å | 2.11Å | |
| IR1 | C19 | sing | 2.10Å | 2.10Å | |
| IR1 | C20 | sing | 2.11Å | 2.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | O1 | 123.5° | 123.5° |
| N1 | C1 | N2 | 109.8° | 109.8° |
| C1 | N1 | C2 | 107.7° | 107.7° |
| C1 | N1 | HN1 | 126.2° | 126.2° |
| O1 | C1 | N2 | 124.3° | 124.3° |
| C1 | N2 | C4 | 109.5° | 109.5° |
| C1 | N2 | HN2 | 125.2° | 125.2° |
| C2 | N1 | HN1 | 126.1° | 126.1° |
| N1 | C2 | C3 | 108.4° | 108.4° |
| N1 | C2 | C4 | 107.8° | 107.8° |
| N1 | C2 | H2 | 111.4° | 111.4° |
| C3 | S1 | C5 | 89.4° | 89.4° |
| S1 | C3 | C2 | 105.4° | 105.4° |
| S1 | C3 | H3 | 110.5° | 110.5° |
| S1 | C3 | H3A | 110.5° | 110.5° |
| S1 | C5 | C4 | 104.2° | 104.2° |
| S1 | C5 | C6 | 111.9° | 111.9° |
| S1 | C5 | H5 | 106.6° | 106.6° |
| C3 | C2 | C4 | 108.7° | 108.7° |
| C3 | C2 | H2 | 110.4° | 110.4° |
| C2 | C3 | H3 | 110.5° | 110.5° |
| C2 | C3 | H3A | 110.5° | 110.5° |
| C4 | C2 | H2 | 110.1° | 110.1° |
| C2 | C4 | N2 | 104.7° | 104.7° |
| C2 | C4 | C5 | 108.0° | 108.0° |
| C2 | C4 | H4 | 109.8° | 109.8° |
| C4 | N2 | HN2 | 125.2° | 125.2° |
| N2 | C4 | C5 | 113.3° | 113.3° |
| N2 | C4 | H4 | 111.0° | 111.0° |
| O2 | C10 | N3 | 118.7° | 118.7° |
| O2 | C10 | C9 | 117.6° | 117.6° |
| O3 | S2 | N4 | 110.0° | 110.0° |
| O3 | S2 | O4 | 109.9° | 109.9° |
| O3 | S2 | C16 | 106.9° | 106.9° |
| N4 | S2 | O4 | 110.0° | 110.0° |
| N4 | S2 | C16 | 109.8° | 109.8° |
| S2 | N4 | C27 | 112.1° | 112.1° |
| S2 | N4 | HN4 | 110.8° | 110.8° |
| S2 | N4 | IR1 | 101.9° | 101.9° |
| O4 | S2 | C16 | 110.2° | 110.2° |
| S2 | C16 | C13 | 118.6° | 118.6° |
| S2 | C16 | C15 | 122.1° | 122.1° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| C10 | N3 | C11 | 121.5° | 121.5° |
| C10 | N3 | HN3 | 119.2° | 119.2° |
| N3 | C10 | C9 | 121.7° | 121.7° |
| C11 | N3 | HN3 | 119.2° | 119.2° |
| N3 | C11 | C12 | 118.7° | 118.7° |
| N3 | C11 | C14 | 121.6° | 121.6° |
| C5 | C4 | H4 | 109.9° | 109.9° |
| C4 | C5 | C6 | 115.1° | 115.1° |
| C4 | C5 | H5 | 109.4° | 109.4° |
| C27 | N4 | HN4 | 112.5° | 112.5° |
| N4 | C27 | C28 | 114.6° | 114.6° |
| N4 | C27 | H27 | 108.2° | 108.2° |
| N4 | C27 | H27A | 108.2° | 108.2° |
| C27 | N4 | IR1 | 113.8° | 113.8° |
| HN4 | N4 | IR1 | 105.1° | 105.1° |
| C6 | C5 | H5 | 109.3° | 109.3° |
| C5 | C6 | C7 | 113.1° | 113.1° |
| C5 | C6 | H6 | 108.6° | 108.6° |
| C5 | C6 | H6A | 108.6° | 108.6° |
| C28 | N5 | HN5 | 107.6° | 107.6° |
| C28 | N5 | HN5A | 107.6° | 107.6° |
| N5 | C28 | C27 | 112.9° | 112.9° |
| N5 | C28 | H28 | 108.6° | 108.6° |
| N5 | C28 | H28A | 108.6° | 108.6° |
| C28 | N5 | IR1 | 116.9° | 116.9° |
| HN5 | N5 | HN5A | 109.5° | 109.5° |
| HN5 | N5 | IR1 | 107.6° | 107.6° |
| HN5A | N5 | IR1 | 107.6° | 107.5° |
| C7 | C6 | H6 | 108.6° | 108.6° |
| C7 | C6 | H6A | 108.5° | 108.5° |
| C6 | C7 | C8 | 112.5° | 112.5° |
| C6 | C7 | H7 | 108.7° | 108.7° |
| C6 | C7 | H7A | 108.7° | 108.7° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| C8 | C7 | H7 | 108.7° | 108.7° |
| C8 | C7 | H7A | 108.7° | 108.7° |
| C7 | C8 | C9 | 113.0° | 113.0° |
| C7 | C8 | H8 | 108.6° | 108.6° |
| C7 | C8 | H8A | 108.6° | 108.6° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| C9 | C8 | H8 | 108.6° | 108.6° |
| C9 | C8 | H8A | 108.6° | 108.6° |
| C8 | C9 | C10 | 109.4° | 109.4° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H9A | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| C10 | C9 | H9 | 109.5° | 109.5° |
| C10 | C9 | H9A | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| C12 | C11 | C14 | 119.7° | 119.7° |
| C11 | C12 | C13 | 120.5° | 120.5° |
| C11 | C12 | H12 | 119.7° | 119.7° |
| C11 | C14 | C15 | 119.9° | 119.9° |
| C11 | C14 | H14 | 120.1° | 120.1° |
| C13 | C12 | H12 | 119.7° | 119.7° |
| C12 | C13 | C16 | 120.7° | 120.7° |
| C12 | C13 | H13 | 119.7° | 119.6° |
| C16 | C13 | H13 | 119.6° | 119.7° |
| C13 | C16 | C15 | 119.2° | 119.2° |
| C15 | C14 | H14 | 120.0° | 120.0° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C18 | C17 | C21 | 107.8° | 107.8° |
| C18 | C17 | C22 | 126.3° | 126.3° |
| C17 | C18 | C19 | 108.2° | 108.2° |
| C17 | C18 | C23 | 126.3° | 126.3° |
| C17 | C18 | H18 | 122.7° | 122.7° |
| C18 | C17 | IR1 | 69.1° | 69.1° |
| C17 | C18 | IR1 | 69.4° | 69.4° |
| C21 | C17 | C22 | 125.9° | 125.9° |
| C17 | C21 | C20 | 108.2° | 108.2° |
| C17 | C21 | C26 | 125.7° | 125.7° |
| C17 | C21 | IR1 | 69.4° | 69.4° |
| C21 | C17 | IR1 | 69.3° | 69.3° |
| C17 | C22 | H22 | 109.5° | 109.5° |
| C17 | C22 | H22A | 109.5° | 109.4° |
| C17 | C22 | H22B | 109.5° | 109.4° |
| C22 | C17 | IR1 | 125.5° | 125.5° |
| C19 | C18 | C23 | 125.4° | 125.4° |
| C19 | C18 | H18 | 127.2° | 127.2° |
| C18 | C19 | C20 | 107.7° | 107.7° |
| C18 | C19 | C24 | 126.1° | 126.1° |
| C18 | C19 | H19 | 125.8° | 125.8° |
| C19 | C18 | IR1 | 69.1° | 69.1° |
| C18 | C19 | IR1 | 69.3° | 69.3° |
| C23 | C18 | H18 | 14.5° | 14.5° |
| C18 | C23 | H23 | 109.5° | 109.5° |
| C18 | C23 | H23A | 109.5° | 109.5° |
| C18 | C23 | H23B | 109.5° | 109.5° |
| C23 | C18 | IR1 | 125.0° | 125.0° |
| H18 | C18 | IR1 | 139.3° | 139.3° |
| C20 | C19 | C24 | 126.2° | 126.2° |
| C20 | C19 | H19 | 125.2° | 125.2° |
| C19 | C20 | C21 | 108.0° | 108.0° |
| C19 | C20 | C25 | 125.9° | 125.9° |
| C19 | C20 | H20 | 125.3° | 125.3° |
| C20 | C19 | IR1 | 69.3° | 69.3° |
| C19 | C20 | IR1 | 69.2° | 69.2° |
| C24 | C19 | H19 | 11.8° | 11.8° |
| C19 | C24 | H24 | 109.5° | 109.5° |
| C19 | C24 | H24A | 109.5° | 109.5° |
| C19 | C24 | H24B | 109.5° | 109.5° |
| C24 | C19 | IR1 | 125.0° | 125.0° |
| H19 | C19 | IR1 | 136.8° | 136.8° |
| C21 | C20 | C25 | 126.0° | 126.0° |
| C21 | C20 | H20 | 124.3° | 124.3° |
| C20 | C21 | C26 | 126.0° | 126.0° |
| C20 | C21 | IR1 | 69.1° | 69.1° |
| C21 | C20 | IR1 | 69.3° | 69.3° |
| C25 | C20 | H20 | 16.0° | 16.0° |
| C20 | C25 | H25 | 109.5° | 109.5° |
| C20 | C25 | H25A | 109.5° | 109.5° |
| C20 | C25 | H25B | 109.4° | 109.5° |
| C25 | C20 | IR1 | 124.7° | 124.7° |
| H20 | C20 | IR1 | 140.6° | 140.6° |
| C21 | C26 | H26 | 109.5° | 109.5° |
| C21 | C26 | H26A | 109.5° | 109.5° |
| C21 | C26 | H26B | 109.5° | 109.5° |
| C26 | C21 | IR1 | 124.9° | 124.9° |
| H22 | C22 | H22A | 109.4° | 109.5° |
| H22 | C22 | H22B | 109.4° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| H23 | C23 | H23A | 109.5° | 109.5° |
| H23 | C23 | H23B | 109.5° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.5° |
| H24 | C24 | H24A | 109.4° | 109.5° |
| H24 | C24 | H24B | 109.5° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H25 | C25 | H25B | 109.5° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.4° |
| H26 | C26 | H26B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| C28 | C27 | H27 | 108.2° | 108.2° |
| C28 | C27 | H27A | 108.2° | 108.2° |
| C27 | C28 | H28 | 108.6° | 108.6° |
| C27 | C28 | H28A | 108.6° | 108.6° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| CL1 | IR1 | N4 | 90.9° | 90.9° |
| CL1 | IR1 | N5 | 94.9° | 94.9° |
| CL1 | IR1 | C21 | 78.4° | 78.4° |
| CL1 | IR1 | C17 | 96.9° | 96.9° |
| CL1 | IR1 | C18 | 138.4° | 138.4° |
| CL1 | IR1 | C19 | 144.1° | 144.1° |
| CL1 | IR1 | C20 | 102.9° | 102.9° |
| N4 | IR1 | N5 | 77.2° | 77.2° |
| N4 | IR1 | C21 | 144.6° | 144.6° |
| N4 | IR1 | C17 | 171.6° | 171.6° |
| N4 | IR1 | C18 | 130.4° | 130.4° |
| N4 | IR1 | C19 | 105.0° | 105.0° |
| N4 | IR1 | C20 | 111.3° | 111.3° |
| N5 | IR1 | C21 | 136.8° | 136.8° |
| N5 | IR1 | C17 | 99.0° | 99.0° |
| N5 | IR1 | C18 | 90.7° | 90.7° |
| N5 | IR1 | C19 | 119.7° | 119.7° |
| N5 | IR1 | C20 | 159.9° | 159.9° |
| C21 | IR1 | C17 | 41.3° | 41.3° |
| C21 | IR1 | C18 | 69.7° | 69.7° |
| C21 | IR1 | C19 | 70.0° | 70.0° |
| C21 | IR1 | C20 | 41.6° | 41.6° |
| C17 | IR1 | C18 | 41.5° | 41.5° |
| C17 | IR1 | C19 | 70.2° | 70.2° |
| C17 | IR1 | C20 | 69.9° | 69.9° |
| C18 | IR1 | C19 | 41.6° | 41.6° |
| C18 | IR1 | C20 | 69.8° | 69.8° |
| C19 | IR1 | C20 | 41.5° | 41.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | O1 | N2 | 160.4° | 160.4° |
| C1 | N1 | C2 | HN1 | 180.0° | 180.0° |
| C1 | N1 | C2 | C3 | 123.2° | 123.2° |
| C1 | N1 | C2 | C4 | 5.8° | 5.8° |
| C1 | N1 | C2 | H2 | 115.1° | 115.1° |
| N1 | C1 | N2 | C4 | 6.4° | 6.4° |
| N1 | C1 | N2 | HN2 | 173.5° | 173.5° |
| O1 | C1 | N1 | C2 | 170.4° | 170.4° |
| O1 | C1 | N1 | HN1 | 9.6° | 9.6° |
| O1 | C1 | N2 | C4 | 169.1° | 169.1° |
| O1 | C1 | N2 | HN2 | 10.9° | 10.9° |
| N2 | C1 | N1 | C2 | 7.6° | 7.6° |
| N2 | C1 | N1 | HN1 | 172.4° | 172.4° |
| C1 | N2 | C4 | C2 | 2.6° | 2.6° |
| C1 | N2 | C4 | HN2 | 180.0° | 180.0° |
| C1 | N2 | C4 | C5 | 120.0° | 120.0° |
| C1 | N2 | C4 | H4 | 115.8° | 115.8° |
| N1 | C2 | C3 | S1 | 86.7° | 86.7° |
| N1 | C2 | C3 | C4 | 116.9° | 116.9° |
| N1 | C2 | C3 | H2 | 122.3° | 122.3° |
| N1 | C2 | C4 | H2 | 121.7° | 121.7° |
| N1 | C2 | C4 | N2 | 2.0° | 2.0° |
| N1 | C2 | C3 | H3 | 32.7° | 32.7° |
| N1 | C2 | C3 | H3A | 154.0° | 154.0° |
| N1 | C2 | C4 | C5 | 119.0° | 119.0° |
| N1 | C2 | C4 | H4 | 121.2° | 121.2° |
| HN1 | N1 | C2 | C3 | 56.8° | 56.8° |
| HN1 | N1 | C2 | C4 | 174.2° | 174.2° |
| HN1 | N1 | C2 | H2 | 64.9° | 64.9° |
| S1 | C3 | C2 | H3 | 119.3° | 119.4° |
| S1 | C3 | C2 | H3A | 119.3° | 119.3° |
| S1 | C3 | C2 | C4 | 30.2° | 30.2° |
| S1 | C3 | C2 | H2 | 151.1° | 151.1° |
| S1 | C3 | H3 | H3A | 121.9° | 121.9° |
| C3 | S1 | C5 | C4 | 44.4° | 44.4° |
| C3 | S1 | C5 | C6 | 169.3° | 169.3° |
| C3 | S1 | C5 | H5 | 71.2° | 71.2° |
| C5 | S1 | C3 | C2 | 43.7° | 43.7° |
| S1 | C5 | C4 | C2 | 32.5° | 32.5° |
| S1 | C5 | C4 | N2 | 82.9° | 82.9° |
| C5 | S1 | C3 | H3 | 163.0° | 163.0° |
| C5 | S1 | C3 | H3A | 75.7° | 75.7° |
| S1 | C5 | C4 | C6 | 122.9° | 122.9° |
| S1 | C5 | C4 | H5 | 113.6° | 113.6° |
| S1 | C5 | C4 | H4 | 152.3° | 152.3° |
| S1 | C5 | C6 | H5 | 117.8° | 117.8° |
| S1 | C5 | C6 | C7 | 80.6° | 80.6° |
| S1 | C5 | C6 | H6 | 40.0° | 40.0° |
| S1 | C5 | C6 | H6A | 158.9° | 158.9° |
| C3 | C2 | C4 | H2 | 121.0° | 121.0° |
| C3 | C2 | C4 | N2 | 119.2° | 119.2° |
| C2 | C3 | H3 | H3A | 121.9° | 121.9° |
| C3 | C2 | C4 | C5 | 1.8° | 1.8° |
| C3 | C2 | C4 | H4 | 121.6° | 121.6° |
| C2 | C4 | N2 | C5 | 117.4° | 117.4° |
| C2 | C4 | N2 | H4 | 118.4° | 118.4° |
| C2 | C4 | N2 | HN2 | 177.3° | 177.3° |
| C4 | C2 | C3 | H3 | 149.5° | 149.6° |
| C4 | C2 | C3 | H3A | 89.1° | 89.1° |
| C2 | C4 | C5 | H4 | 119.7° | 119.7° |
| C2 | C4 | C5 | C6 | 155.4° | 155.4° |
| C2 | C4 | C5 | H5 | 81.1° | 81.1° |
| H2 | C2 | C4 | N2 | 119.8° | 119.8° |
| H2 | C2 | C3 | H3 | 89.6° | 89.6° |
| H2 | C2 | C3 | H3A | 31.7° | 31.7° |
| H2 | C2 | C4 | C5 | 119.2° | 119.2° |
| H2 | C2 | C4 | H4 | 0.6° | 0.6° |
| N2 | C4 | C5 | H4 | 124.8° | 124.8° |
| N2 | C4 | C5 | C6 | 40.0° | 40.0° |
| N2 | C4 | C5 | H5 | 163.4° | 163.4° |
| HN2 | N2 | C4 | C5 | 59.9° | 59.9° |
| HN2 | N2 | C4 | H4 | 64.3° | 64.3° |
| O2 | C10 | N3 | C9 | 163.3° | 163.3° |
| O2 | C10 | N3 | C11 | 18.6° | 18.6° |
| O2 | C10 | N3 | HN3 | 161.5° | 161.5° |
| O2 | C10 | C9 | C8 | 53.5° | 53.5° |
| O2 | C10 | C9 | H9 | 173.5° | 173.5° |
| O2 | C10 | C9 | H9A | 66.4° | 66.4° |
| O3 | S2 | N4 | O4 | 121.2° | 121.2° |
| O3 | S2 | N4 | C16 | 117.3° | 117.3° |
| O3 | S2 | O4 | C16 | 117.5° | 117.5° |
| O3 | S2 | N4 | C27 | 151.0° | 151.0° |
| O3 | S2 | N4 | HN4 | 82.5° | 82.5° |
| O3 | S2 | C16 | C13 | 119.0° | 119.0° |
| O3 | S2 | C16 | C15 | 59.2° | 59.2° |
| O3 | S2 | N4 | IR1 | 29.0° | 29.0° |
| N4 | S2 | O4 | C16 | 121.2° | 121.2° |
| S2 | N4 | C27 | HN4 | 125.6° | 125.6° |
| S2 | N4 | C27 | IR1 | 114.9° | 114.9° |
| S2 | N4 | HN4 | IR1 | 109.3° | 109.3° |
| N4 | S2 | C16 | C13 | 121.7° | 121.7° |
| N4 | S2 | C16 | C15 | 60.1° | 60.1° |
| S2 | N4 | C27 | C28 | 137.4° | 137.4° |
| S2 | N4 | C27 | H27 | 16.6° | 16.6° |
| S2 | N4 | C27 | H27A | 101.9° | 101.9° |
| S2 | N4 | IR1 | CL1 | 45.3° | 45.3° |
| S2 | N4 | IR1 | N5 | 140.1° | 140.1° |
| S2 | N4 | IR1 | C21 | 25.8° | 25.8° |
| S2 | N4 | IR1 | C17 | 156.0° | 156.0° |
| S2 | N4 | IR1 | C18 | 140.1° | 140.1° |
| S2 | N4 | IR1 | C19 | 102.2° | 102.2° |
| S2 | N4 | IR1 | C20 | 58.9° | 58.9° |
| O4 | S2 | N4 | C27 | 29.8° | 29.8° |
| O4 | S2 | N4 | HN4 | 156.4° | 156.4° |
| O4 | S2 | C16 | C13 | 0.4° | 0.4° |
| O4 | S2 | C16 | C15 | 178.5° | 178.5° |
| O4 | S2 | N4 | IR1 | 92.2° | 92.2° |
| C16 | S2 | N4 | C27 | 91.6° | 91.6° |
| C16 | S2 | N4 | HN4 | 34.9° | 34.9° |
| S2 | C16 | C13 | C12 | 179.1° | 179.1° |
| S2 | C16 | C13 | C15 | 178.2° | 178.2° |
| S2 | C16 | C13 | H13 | 1.0° | 0.9° |
| S2 | C16 | C15 | C14 | 178.8° | 178.8° |
| S2 | C16 | C15 | H15 | 1.2° | 1.2° |
| C16 | S2 | N4 | IR1 | 146.3° | 146.3° |
| C10 | N3 | C11 | HN3 | 180.0° | 180.0° |
| N3 | C10 | C9 | C8 | 143.0° | 143.0° |
| N3 | C10 | C9 | H9 | 23.0° | 23.0° |
| N3 | C10 | C9 | H9A | 97.0° | 97.0° |
| C10 | N3 | C11 | C12 | 35.4° | 35.4° |
| C10 | N3 | C11 | C14 | 145.4° | 145.4° |
| C11 | N3 | C10 | C9 | 178.2° | 178.2° |
| N3 | C11 | C12 | C14 | 179.2° | 179.2° |
| N3 | C11 | C12 | C13 | 179.6° | 179.6° |
| N3 | C11 | C12 | H12 | 0.4° | 0.3° |
| N3 | C11 | C14 | C15 | 179.4° | 179.4° |
| N3 | C11 | C14 | H14 | 0.6° | 0.6° |
| HN3 | N3 | C10 | C9 | 1.8° | 1.8° |
| HN3 | N3 | C11 | C12 | 144.6° | 144.6° |
| HN3 | N3 | C11 | C14 | 34.6° | 34.6° |
| C4 | C5 | C6 | H5 | 123.5° | 123.5° |
| C4 | C5 | C6 | C7 | 160.7° | 160.7° |
| C4 | C5 | C6 | H6 | 78.7° | 78.7° |
| C4 | C5 | C6 | H6A | 40.2° | 40.2° |
| H4 | C4 | C5 | C6 | 84.8° | 84.8° |
| H4 | C4 | C5 | H5 | 38.6° | 38.6° |
| C27 | N4 | HN4 | IR1 | 124.4° | 124.4° |
| N4 | C27 | C28 | N5 | 10.6° | 10.6° |
| N4 | C27 | C28 | H27 | 120.8° | 120.8° |
| N4 | C27 | C28 | H27A | 120.7° | 120.7° |
| N4 | C27 | H27 | H27A | 117.7° | 117.7° |
| N4 | C27 | C28 | H28 | 109.9° | 109.9° |
| N4 | C27 | C28 | H28A | 131.1° | 131.1° |
| C27 | N4 | IR1 | CL1 | 75.5° | 75.5° |
| C27 | N4 | IR1 | N5 | 19.3° | 19.3° |
| C27 | N4 | IR1 | C21 | 146.6° | 146.6° |
| C27 | N4 | IR1 | C17 | 83.2° | 83.2° |
| C27 | N4 | IR1 | C18 | 99.1° | 99.1° |
| C27 | N4 | IR1 | C19 | 137.0° | 137.0° |
| C27 | N4 | IR1 | C20 | 179.8° | 179.8° |
| HN4 | N4 | C27 | C28 | 97.0° | 97.0° |
| HN4 | N4 | C27 | H27 | 142.2° | 142.2° |
| HN4 | N4 | C27 | H27A | 23.7° | 23.7° |
| HN4 | N4 | IR1 | CL1 | 160.9° | 160.9° |
| HN4 | N4 | IR1 | N5 | 104.2° | 104.2° |
| HN4 | N4 | IR1 | C21 | 89.9° | 89.9° |
| HN4 | N4 | IR1 | C17 | 40.3° | 40.3° |
| HN4 | N4 | IR1 | C18 | 24.5° | 24.5° |
| HN4 | N4 | IR1 | C19 | 13.4° | 13.4° |
| HN4 | N4 | IR1 | C20 | 56.7° | 56.7° |
| C5 | C6 | C7 | H6 | 120.5° | 120.5° |
| C5 | C6 | C7 | H6A | 120.5° | 120.5° |
| C5 | C6 | H6 | H6A | 118.4° | 118.4° |
| C5 | C6 | C7 | C8 | 179.2° | 179.2° |
| C5 | C6 | C7 | H7 | 58.7° | 58.7° |
| C5 | C6 | C7 | H7A | 60.4° | 60.4° |
| H5 | C5 | C6 | C7 | 37.2° | 37.2° |
| H5 | C5 | C6 | H6 | 157.8° | 157.8° |
| H5 | C5 | C6 | H6A | 83.3° | 83.3° |
| C28 | N5 | HN5 | HN5A | 116.6° | 116.6° |
| C28 | N5 | HN5 | IR1 | 126.8° | 126.8° |
| C28 | N5 | HN5A | IR1 | 126.8° | 126.8° |
| N5 | C28 | C27 | H28 | 120.5° | 120.5° |
| N5 | C28 | C27 | H28A | 120.5° | 120.5° |
| N5 | C28 | C27 | H27 | 110.1° | 110.1° |
| N5 | C28 | C27 | H27A | 131.4° | 131.4° |
| N5 | C28 | H28 | H28A | 118.5° | 118.5° |
| C28 | N5 | IR1 | CL1 | 75.8° | 75.8° |
| C28 | N5 | IR1 | N4 | 14.0° | 14.0° |
| C28 | N5 | IR1 | C21 | 154.1° | 154.1° |
| C28 | N5 | IR1 | C17 | 173.7° | 173.7° |
| C28 | N5 | IR1 | C18 | 145.5° | 145.5° |
| C28 | N5 | IR1 | C19 | 114.1° | 114.1° |
| C28 | N5 | IR1 | C20 | 131.6° | 131.6° |
| HN5 | N5 | HN5A | IR1 | 116.6° | 116.6° |
| HN5 | N5 | C28 | C27 | 127.2° | 127.2° |
| HN5 | N5 | C28 | H28 | 112.3° | 112.3° |
| HN5 | N5 | C28 | H28A | 6.7° | 6.7° |
| HN5 | N5 | IR1 | CL1 | 45.3° | 45.3° |
| HN5 | N5 | IR1 | N4 | 135.1° | 135.1° |
| HN5 | N5 | IR1 | C21 | 33.0° | 33.0° |
| HN5 | N5 | IR1 | C17 | 52.6° | 52.6° |
| HN5 | N5 | IR1 | C18 | 93.5° | 93.5° |
| HN5 | N5 | IR1 | C19 | 124.8° | 124.8° |
| HN5 | N5 | IR1 | C20 | 107.3° | 107.3° |
| HN5A | N5 | C28 | C27 | 115.0° | 115.0° |
| HN5A | N5 | C28 | H28 | 5.5° | 5.5° |
| HN5A | N5 | C28 | H28A | 124.5° | 124.5° |
| HN5A | N5 | IR1 | CL1 | 163.1° | 163.1° |
| HN5A | N5 | IR1 | N4 | 107.1° | 107.1° |
| HN5A | N5 | IR1 | C21 | 84.8° | 84.8° |
| HN5A | N5 | IR1 | C17 | 65.3° | 65.2° |
| HN5A | N5 | IR1 | C18 | 24.4° | 24.4° |
| HN5A | N5 | IR1 | C19 | 7.0° | 7.0° |
| HN5A | N5 | IR1 | C20 | 10.6° | 10.5° |
| C7 | C6 | H6 | H6A | 118.3° | 118.3° |
| C6 | C7 | C8 | H7 | 120.5° | 120.5° |
| C6 | C7 | C8 | H7A | 120.5° | 120.5° |
| C6 | C7 | H7 | H7A | 118.6° | 118.6° |
| C6 | C7 | C8 | C9 | 179.1° | 179.1° |
| C6 | C7 | C8 | H8 | 60.4° | 60.4° |
| C6 | C7 | C8 | H8A | 58.6° | 58.6° |
| H6 | C6 | C7 | C8 | 60.3° | 60.3° |
| H6 | C6 | C7 | H7 | 179.3° | 179.3° |
| H6 | C6 | C7 | H7A | 60.2° | 60.2° |
| H6A | C6 | C7 | C8 | 58.6° | 58.6° |
| H6A | C6 | C7 | H7 | 61.8° | 61.8° |
| H6A | C6 | C7 | H7A | 179.1° | 179.1° |
| C8 | C7 | H7 | H7A | 118.6° | 118.6° |
| C7 | C8 | C9 | H8 | 120.5° | 120.5° |
| C7 | C8 | C9 | H8A | 120.5° | 120.5° |
| C7 | C8 | H8 | H8A | 118.4° | 118.4° |
| C7 | C8 | C9 | C10 | 57.9° | 57.9° |
| C7 | C8 | C9 | H9 | 62.1° | 62.1° |
| C7 | C8 | C9 | H9A | 177.9° | 177.9° |
| H7 | C7 | C8 | C9 | 58.6° | 58.6° |
| H7 | C7 | C8 | H8 | 179.2° | 179.2° |
| H7 | C7 | C8 | H8A | 61.9° | 61.9° |
| H7A | C7 | C8 | C9 | 60.5° | 60.5° |
| H7A | C7 | C8 | H8 | 60.1° | 60.1° |
| H7A | C7 | C8 | H8A | 179.0° | 179.0° |
| C9 | C8 | H8 | H8A | 118.4° | 118.4° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9A | 120.0° | 120.1° |
| H8 | C8 | C9 | C10 | 178.4° | 178.4° |
| H8 | C8 | C9 | H9 | 58.4° | 58.4° |
| H8 | C8 | C9 | H9A | 61.6° | 61.6° |
| H8A | C8 | C9 | C10 | 62.6° | 62.6° |
| H8A | C8 | C9 | H9 | 177.4° | 177.4° |
| H8A | C8 | C9 | H9A | 57.4° | 57.4° |
| C10 | C9 | H9 | H9A | 120.1° | 120.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C16 | 0.8° | 0.8° |
| C11 | C12 | C13 | H13 | 179.3° | 179.2° |
| C12 | C11 | C14 | C15 | 0.2° | 0.2° |
| C12 | C11 | C14 | H14 | 179.8° | 179.8° |
| C14 | C11 | C12 | C13 | 0.4° | 0.4° |
| C14 | C11 | C12 | H12 | 179.6° | 179.5° |
| C11 | C14 | C15 | H14 | 180.0° | 180.0° |
| C11 | C14 | C15 | C16 | 0.3° | 0.3° |
| C11 | C14 | C15 | H15 | 179.7° | 179.7° |
| C12 | C13 | C16 | H13 | 180.0° | 180.0° |
| C12 | C13 | C16 | C15 | 0.9° | 0.9° |
| H12 | C12 | C13 | C16 | 179.2° | 179.2° |
| H12 | C12 | C13 | H13 | 0.7° | 0.8° |
| C13 | C16 | C15 | C14 | 0.7° | 0.7° |
| C13 | C16 | C15 | H15 | 179.3° | 179.3° |
| H13 | C13 | C16 | C15 | 179.1° | 179.1° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| H14 | C14 | C15 | C16 | 179.7° | 179.7° |
| H14 | C14 | C15 | H15 | 0.3° | 0.3° |
| C18 | C17 | C21 | C22 | 178.1° | 178.1° |
| C18 | C17 | C21 | IR1 | 58.6° | 58.6° |
| C18 | C17 | C22 | IR1 | 88.8° | 88.8° |
| C17 | C18 | C19 | C23 | 177.4° | 177.4° |
| C17 | C18 | C19 | H18 | 164.7° | 164.7° |
| C17 | C18 | C19 | IR1 | 58.5° | 58.5° |
| C17 | C18 | C23 | H18 | 80.8° | 80.8° |
| C17 | C18 | C23 | IR1 | 88.9° | 88.9° |
| C17 | C18 | H18 | IR1 | 96.0° | 96.0° |
| C17 | C18 | C19 | C20 | 0.4° | 0.4° |
| C17 | C18 | C19 | C24 | 177.4° | 177.4° |
| C17 | C18 | C19 | H19 | 168.0° | 168.0° |
| C18 | C17 | C21 | C20 | 0.2° | 0.2° |
| C18 | C17 | C21 | C26 | 177.5° | 177.5° |
| C18 | C17 | C22 | H22 | 180.0° | 180.0° |
| C18 | C17 | C22 | H22A | 60.0° | 60.0° |
| C18 | C17 | C22 | H22B | 60.0° | 60.0° |
| C17 | C18 | C23 | H23 | 180.0° | 180.0° |
| C17 | C18 | C23 | H23A | 60.0° | 60.0° |
| C17 | C18 | C23 | H23B | 60.0° | 60.0° |
| C18 | C17 | IR1 | CL1 | 176.9° | 176.9° |
| C18 | C17 | IR1 | N4 | 18.3° | 18.3° |
| C18 | C17 | IR1 | N5 | 80.7° | 80.7° |
| C18 | C17 | IR1 | C20 | 81.9° | 81.9° |
| C21 | C17 | C22 | IR1 | 88.9° | 88.9° |
| C21 | C17 | C18 | C19 | 0.4° | 0.4° |
| C21 | C17 | C18 | C23 | 177.7° | 177.7° |
| C21 | C17 | C18 | H18 | 165.2° | 165.2° |
| C17 | C21 | C20 | C19 | 0.0° | 0.0° |
| C17 | C21 | C20 | C26 | 177.2° | 177.2° |
| C17 | C21 | C20 | IR1 | 58.5° | 58.5° |
| C17 | C21 | C20 | C25 | 177.0° | 177.0° |
| C17 | C21 | C20 | H20 | 163.5° | 163.5° |
| C17 | C21 | C26 | IR1 | 88.5° | 88.5° |
| C21 | C17 | C22 | H22 | 2.3° | 2.3° |
| C21 | C17 | C22 | H22A | 117.7° | 117.7° |
| C21 | C17 | C22 | H22B | 122.3° | 122.3° |
| C17 | C21 | C26 | H26 | 180.0° | 180.0° |
| C17 | C21 | C26 | H26A | 60.0° | 60.0° |
| C17 | C21 | C26 | H26B | 60.0° | 60.0° |
| C21 | C17 | IR1 | CL1 | 63.5° | 63.5° |
| C21 | C17 | IR1 | N4 | 137.9° | 137.9° |
| C21 | C17 | IR1 | N5 | 159.7° | 159.7° |
| C21 | C17 | IR1 | C19 | 81.9° | 81.9° |
| C22 | C17 | C18 | C19 | 177.7° | 177.7° |
| C22 | C17 | C18 | C23 | 0.3° | 0.3° |
| C22 | C17 | C18 | H18 | 16.8° | 16.8° |
| C22 | C17 | C21 | C20 | 177.8° | 177.8° |
| C22 | C17 | C21 | C26 | 0.6° | 0.6° |
| C17 | C22 | H22 | H22A | 120.0° | 120.0° |
| C17 | C22 | H22 | H22B | 120.0° | 120.0° |
| C17 | C22 | H22A | H22B | 120.0° | 119.9° |
| C22 | C17 | IR1 | CL1 | 56.5° | 56.5° |
| C22 | C17 | IR1 | N4 | 102.1° | 102.1° |
| C22 | C17 | IR1 | N5 | 39.7° | 39.7° |
| C22 | C17 | IR1 | C19 | 158.1° | 158.1° |
| C22 | C17 | IR1 | C20 | 157.7° | 157.7° |
| C19 | C18 | C23 | H18 | 102.3° | 102.3° |
| C19 | C18 | C23 | IR1 | 88.0° | 88.0° |
| C19 | C18 | H18 | IR1 | 101.4° | 101.4° |
| C18 | C19 | C20 | C24 | 177.7° | 177.7° |
| C18 | C19 | C20 | H19 | 167.8° | 167.8° |
| C18 | C19 | C20 | IR1 | 58.8° | 58.8° |
| C18 | C19 | C24 | H19 | 93.3° | 93.3° |
| C18 | C19 | C24 | IR1 | 88.6° | 88.6° |
| C18 | C19 | H19 | IR1 | 97.5° | 97.5° |
| C18 | C19 | C20 | C21 | 0.2° | 0.2° |
| C18 | C19 | C20 | C25 | 177.2° | 177.2° |
| C18 | C19 | C20 | H20 | 163.1° | 163.1° |
| C19 | C18 | C23 | H23 | 3.1° | 3.1° |
| C19 | C18 | C23 | H23A | 123.1° | 123.1° |
| C19 | C18 | C23 | H23B | 116.9° | 116.9° |
| C18 | C19 | C24 | H24 | 180.0° | 180.0° |
| C18 | C19 | C24 | H24A | 60.0° | 60.0° |
| C18 | C19 | C24 | H24B | 60.0° | 60.0° |
| C19 | C18 | IR1 | CL1 | 124.7° | 124.7° |
| C19 | C18 | IR1 | N4 | 63.4° | 63.4° |
| C19 | C18 | IR1 | N5 | 137.1° | 137.1° |
| C19 | C18 | IR1 | C21 | 82.4° | 82.4° |
| C23 | C18 | H18 | IR1 | 13.0° | 13.0° |
| C23 | C18 | C19 | C20 | 177.7° | 177.7° |
| C23 | C18 | C19 | C24 | 0.0° | 0.0° |
| C23 | C18 | C19 | H19 | 14.6° | 14.6° |
| C18 | C23 | H23 | H23A | 120.0° | 120.0° |
| C18 | C23 | H23 | H23B | 120.0° | 120.0° |
| C18 | C23 | H23A | H23B | 120.0° | 120.0° |
| C23 | C18 | IR1 | CL1 | 115.9° | 115.9° |
| C23 | C18 | IR1 | N4 | 56.0° | 56.0° |
| C23 | C18 | IR1 | N5 | 17.7° | 17.7° |
| C23 | C18 | IR1 | C21 | 158.2° | 158.2° |
| C23 | C18 | IR1 | C20 | 157.3° | 157.3° |
| H18 | C18 | C19 | C20 | 164.3° | 164.3° |
| H18 | C18 | C19 | C24 | 17.9° | 17.9° |
| H18 | C18 | C19 | H19 | 3.3° | 3.3° |
| H18 | C18 | C23 | H23 | 99.2° | 99.2° |
| H18 | C18 | C23 | H23A | 20.8° | 20.8° |
| H18 | C18 | C23 | H23B | 140.8° | 140.8° |
| H18 | C18 | IR1 | CL1 | 111.9° | 111.9° |
| H18 | C18 | IR1 | N4 | 59.9° | 59.9° |
| H18 | C18 | IR1 | N5 | 13.7° | 13.7° |
| H18 | C18 | IR1 | C21 | 154.3° | 154.3° |
| H18 | C18 | IR1 | C20 | 161.3° | 161.3° |
| C20 | C19 | C24 | H19 | 89.4° | 89.4° |
| C20 | C19 | C24 | IR1 | 88.8° | 88.8° |
| C20 | C19 | H19 | IR1 | 96.9° | 96.9° |
| C19 | C20 | C21 | C25 | 177.0° | 177.0° |
| C19 | C20 | C21 | H20 | 163.5° | 163.5° |
| C19 | C20 | C21 | IR1 | 58.5° | 58.5° |
| C19 | C20 | C25 | H20 | 93.9° | 93.9° |
| C19 | C20 | C25 | IR1 | 88.1° | 88.1° |
| C19 | C20 | H20 | IR1 | 100.2° | 100.2° |
| C19 | C20 | C21 | C26 | 177.2° | 177.2° |
| C20 | C19 | C24 | H24 | 2.7° | 2.7° |
| C20 | C19 | C24 | H24A | 122.7° | 122.7° |
| C20 | C19 | C24 | H24B | 117.4° | 117.4° |
| C19 | C20 | C25 | H25 | 180.0° | 180.0° |
| C19 | C20 | C25 | H25A | 60.0° | 60.0° |
| C19 | C20 | C25 | H25B | 60.0° | 60.0° |
| C20 | C19 | IR1 | CL1 | 8.0° | 8.0° |
| C20 | C19 | IR1 | N4 | 105.4° | 105.4° |
| C20 | C19 | IR1 | N5 | 171.0° | 171.0° |
| C20 | C19 | IR1 | C17 | 81.8° | 81.8° |
| C24 | C19 | H19 | IR1 | 2.2° | 2.2° |
| C24 | C19 | C20 | C21 | 177.5° | 177.5° |
| C24 | C19 | C20 | C25 | 0.5° | 0.5° |
| C24 | C19 | C20 | H20 | 19.2° | 19.2° |
| C19 | C24 | H24 | H24A | 120.0° | 120.0° |
| C19 | C24 | H24 | H24B | 120.0° | 120.0° |
| C19 | C24 | H24A | H24B | 120.0° | 120.0° |
| C24 | C19 | IR1 | CL1 | 128.4° | 128.4° |
| C24 | C19 | IR1 | N4 | 15.0° | 15.0° |
| C24 | C19 | IR1 | N5 | 68.6° | 68.6° |
| C24 | C19 | IR1 | C21 | 158.2° | 158.2° |
| C24 | C19 | IR1 | C17 | 157.8° | 157.8° |
| H19 | C19 | C20 | C21 | 168.0° | 168.0° |
| H19 | C19 | C20 | C25 | 15.0° | 15.0° |
| H19 | C19 | C20 | H20 | 4.7° | 4.7° |
| H19 | C19 | C24 | H24 | 86.7° | 86.7° |
| H19 | C19 | C24 | H24A | 33.3° | 33.3° |
| H19 | C19 | C24 | H24B | 153.3° | 153.3° |
| H19 | C19 | IR1 | CL1 | 127.9° | 127.9° |
| H19 | C19 | IR1 | N4 | 14.4° | 14.4° |
| H19 | C19 | IR1 | N5 | 69.1° | 69.1° |
| H19 | C19 | IR1 | C21 | 157.6° | 157.6° |
| H19 | C19 | IR1 | C17 | 158.4° | 158.4° |
| C21 | C20 | C25 | H20 | 89.6° | 89.6° |
| C21 | C20 | C25 | IR1 | 88.4° | 88.4° |
| C21 | C20 | H20 | IR1 | 99.1° | 99.1° |
| C20 | C21 | C26 | IR1 | 88.3° | 88.3° |
| C21 | C20 | C25 | H25 | 3.5° | 3.5° |
| C21 | C20 | C25 | H25A | 123.5° | 123.5° |
| C21 | C20 | C25 | H25B | 116.5° | 116.5° |
| C20 | C21 | C26 | H26 | 3.2° | 3.2° |
| C20 | C21 | C26 | H26A | 116.8° | 116.8° |
| C20 | C21 | C26 | H26B | 123.2° | 123.2° |
| C21 | C20 | IR1 | CL1 | 55.3° | 55.3° |
| C21 | C20 | IR1 | N4 | 151.5° | 151.5° |
| C21 | C20 | IR1 | N5 | 96.6° | 96.6° |
| C21 | C20 | IR1 | C18 | 81.8° | 81.8° |
| C25 | C20 | H20 | IR1 | 2.6° | 2.6° |
| C25 | C20 | C21 | C26 | 0.2° | 0.2° |
| C20 | C25 | H25 | H25A | 120.0° | 120.0° |
| C20 | C25 | H25 | H25B | 120.0° | 120.0° |
| C20 | C25 | H25A | H25B | 120.0° | 120.0° |
| C25 | C20 | IR1 | CL1 | 64.9° | 64.9° |
| C25 | C20 | IR1 | N4 | 31.3° | 31.3° |
| C25 | C20 | IR1 | N5 | 143.2° | 143.2° |
| C25 | C20 | IR1 | C17 | 157.7° | 157.7° |
| C25 | C20 | IR1 | C18 | 158.0° | 158.0° |
| H20 | C20 | C21 | C26 | 19.2° | 19.2° |
| H20 | C20 | C25 | H25 | 86.1° | 86.1° |
| H20 | C20 | C25 | H25A | 33.9° | 33.9° |
| H20 | C20 | C25 | H25B | 153.9° | 153.9° |
| H20 | C20 | IR1 | CL1 | 64.0° | 64.0° |
| H20 | C20 | IR1 | N4 | 32.1° | 32.1° |
| H20 | C20 | IR1 | N5 | 144.1° | 144.1° |
| H20 | C20 | IR1 | C17 | 156.8° | 156.8° |
| H20 | C20 | IR1 | C18 | 158.8° | 158.8° |
| C21 | C26 | H26 | H26A | 120.0° | 120.0° |
| C21 | C26 | H26 | H26B | 120.0° | 120.0° |
| C21 | C26 | H26A | H26B | 120.0° | 120.0° |
| C26 | C21 | IR1 | CL1 | 5.0° | 5.0° |
| C26 | C21 | IR1 | N4 | 69.9° | 69.9° |
| C26 | C21 | IR1 | N5 | 89.8° | 89.8° |
| C26 | C21 | IR1 | C18 | 157.8° | 157.8° |
| C26 | C21 | IR1 | C19 | 157.7° | 157.7° |
| H22 | C22 | H22A | H22B | 119.9° | 120.1° |
| H22 | C22 | C17 | IR1 | 91.2° | 91.1° |
| H22A | C22 | C17 | IR1 | 28.8° | 28.9° |
| H22B | C22 | C17 | IR1 | 148.8° | 148.8° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |
| H23 | C23 | C18 | IR1 | 91.1° | 91.1° |
| H23A | C23 | C18 | IR1 | 148.9° | 148.9° |
| H23B | C23 | C18 | IR1 | 28.9° | 28.9° |
| H24 | C24 | H24A | H24B | 120.0° | 120.0° |
| H24 | C24 | C19 | IR1 | 91.5° | 91.4° |
| H24A | C24 | C19 | IR1 | 148.6° | 148.6° |
| H24B | C24 | C19 | IR1 | 28.6° | 28.6° |
| H25 | C25 | H25A | H25B | 120.0° | 120.0° |
| H25 | C25 | C20 | IR1 | 91.9° | 91.9° |
| H25A | C25 | C20 | IR1 | 148.1° | 148.1° |
| H25B | C25 | C20 | IR1 | 28.1° | 28.1° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| H26 | C26 | C21 | IR1 | 91.5° | 91.5° |
| H26A | C26 | C21 | IR1 | 28.5° | 28.5° |
| H26B | C26 | C21 | IR1 | 148.5° | 148.5° |
| C28 | C27 | H27 | H27A | 117.7° | 117.7° |
| C27 | C28 | H28 | H28A | 118.4° | 118.4° |
| C28 | C27 | N4 | IR1 | 22.4° | 22.4° |
| C27 | C28 | N5 | IR1 | 6.1° | 6.1° |
| H27 | C27 | C28 | H28 | 129.3° | 129.3° |
| H27 | C27 | C28 | H28A | 10.4° | 10.4° |
| H27 | C27 | N4 | IR1 | 98.3° | 98.3° |
| H27A | C27 | C28 | H28 | 10.8° | 10.8° |
| H27A | C27 | C28 | H28A | 108.1° | 108.1° |
| H27A | C27 | N4 | IR1 | 143.2° | 143.2° |
| H28 | C28 | N5 | IR1 | 126.6° | 126.6° |
| H28A | C28 | N5 | IR1 | 114.4° | 114.4° |
| CL1 | IR1 | N4 | N5 | 94.9° | 94.9° |
| CL1 | IR1 | N4 | C21 | 71.1° | 71.1° |
| CL1 | IR1 | N4 | C17 | 158.7° | 158.7° |
| CL1 | IR1 | N4 | C18 | 174.6° | 174.6° |
| CL1 | IR1 | N4 | C19 | 147.5° | 147.5° |
| CL1 | IR1 | N4 | C20 | 104.2° | 104.2° |
| CL1 | IR1 | N5 | C21 | 78.3° | 78.3° |
| CL1 | IR1 | N5 | C17 | 97.8° | 97.8° |
| CL1 | IR1 | N5 | C18 | 138.7° | 138.7° |
| CL1 | IR1 | N5 | C19 | 170.1° | 170.1° |
| CL1 | IR1 | N5 | C20 | 152.6° | 152.6° |
| CL1 | IR1 | C21 | C18 | 152.8° | 152.8° |
| CL1 | IR1 | C21 | C19 | 162.7° | 162.7° |
| CL1 | IR1 | C17 | C19 | 145.5° | 145.5° |
| CL1 | IR1 | C17 | C20 | 101.2° | 101.2° |
| CL1 | IR1 | C18 | C20 | 86.8° | 86.8° |
| N4 | IR1 | N5 | C21 | 168.1° | 168.1° |
| N4 | IR1 | N5 | C17 | 172.3° | 172.3° |
| N4 | IR1 | N5 | C18 | 131.5° | 131.5° |
| N4 | IR1 | N5 | C19 | 100.1° | 100.1° |
| N4 | IR1 | N5 | C20 | 117.6° | 117.6° |
| N4 | IR1 | C21 | C18 | 132.3° | 132.3° |
| N4 | IR1 | C21 | C19 | 87.8° | 87.8° |
| N4 | IR1 | C17 | C19 | 56.0° | 56.0° |
| N4 | IR1 | C17 | C20 | 100.2° | 100.2° |
| N4 | IR1 | C18 | C20 | 101.3° | 101.3° |
| N5 | IR1 | C21 | C18 | 68.0° | 68.0° |
| N5 | IR1 | C21 | C19 | 112.4° | 112.4° |
| N5 | IR1 | C17 | C19 | 118.4° | 118.4° |
| N5 | IR1 | C17 | C20 | 162.6° | 162.6° |
| N5 | IR1 | C18 | C20 | 175.0° | 175.0° |
