7HI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| N1 | C5 | sing | 1.36Å | 1.35Å | Aromatic |
| N1 | C7 | sing | 1.47Å | 1.46Å | |
| C25 | C4 | sing | 1.53Å | 1.50Å | |
| C27 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C1 | C5 | doub | 1.35Å | 1.40Å | Aromatic |
| C5 | C27 | sing | 1.51Å | 1.52Å | |
| C13 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | C12 | sing | 1.51Å | 1.51Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C29 | sing | 1.48Å | 1.49Å | Aromatic |
| C24 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| O2 | C3 | doub | 1.22Å | 1.23Å | |
| N2 | C3 | sing | 1.35Å | 1.34Å | |
| C3 | C2 | sing | 1.47Å | 1.49Å | |
| C32 | N2 | sing | 1.40Å | 1.37Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C29 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C2 | C12 | doub | 1.37Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.46Å | 1.38Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C19 | C25 | sing | 1.53Å | 1.33Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C14 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C14 | C1 | sing | 1.51Å | 1.52Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| O4 | C9 | sing | 1.43Å | 1.42Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C11 | C35 | sing | 1.53Å | 1.52Å | |
| C11 | O3 | sing | 1.43Å | 1.41Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C35 | C36 | sing | 1.51Å | 1.50Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| O6 | C36 | doub | 1.21Å | 1.33Å | |
| C36 | O7 | sing | 1.34Å | 1.21Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N1 | C5 | 110.4° | 110.4° |
| C12 | N1 | C7 | 124.5° | 124.8° |
| N1 | C12 | C6 | 127.6° | 125.8° |
| N1 | C12 | C2 | 106.4° | 108.4° |
| C5 | N1 | C7 | 125.1° | 124.8° |
| N1 | C5 | C1 | 108.3° | 108.5° |
| N1 | C5 | C27 | 122.9° | 126.3° |
| N1 | C7 | C8 | 106.8° | 109.5° |
| N1 | C7 | H7 | 110.4° | 109.4° |
| N1 | C7 | H7A | 111.0° | 109.4° |
| C25 | C4 | C27 | 109.6° | 109.8° |
| C25 | C4 | H4 | 109.5° | 109.4° |
| C25 | C4 | H4A | 109.4° | 109.4° |
| C4 | C25 | C19 | 121.1° | 110.6° |
| C4 | C25 | H25 | 105.7° | 109.2° |
| C4 | C25 | H25A | 103.0° | 109.3° |
| C27 | C4 | H4 | 109.4° | 109.4° |
| C27 | C4 | H4A | 109.4° | 109.4° |
| C4 | C27 | C5 | 113.6° | 109.3° |
| C4 | C27 | H27 | 108.1° | 109.5° |
| C4 | C27 | H27A | 107.2° | 109.5° |
| H4 | C4 | H4A | 109.5° | 109.4° |
| C1 | C5 | C27 | 128.8° | 125.2° |
| C5 | C1 | C2 | 104.7° | 106.8° |
| C5 | C1 | C14 | 131.2° | 126.2° |
| C5 | C27 | H27 | 108.1° | 109.5° |
| C5 | C27 | H27A | 107.2° | 109.5° |
| C13 | C6 | C12 | 110.2° | 109.5° |
| C13 | C6 | H6 | 109.3° | 109.5° |
| C13 | C6 | H6A | 109.1° | 109.5° |
| C6 | C13 | H13 | 109.5° | 109.5° |
| C6 | C13 | H13A | 109.5° | 109.5° |
| C6 | C13 | H13B | 109.5° | 109.5° |
| C12 | C6 | H6 | 109.2° | 109.5° |
| C12 | C6 | H6A | 109.1° | 109.5° |
| C6 | C12 | C2 | 125.9° | 125.8° |
| H6 | C6 | H6A | 110.0° | 109.4° |
| C8 | C7 | H7 | 110.4° | 109.5° |
| C8 | C7 | H7A | 110.9° | 109.5° |
| C7 | C8 | C9 | 111.9° | 109.4° |
| C7 | C8 | H8 | 108.7° | 109.5° |
| C7 | C8 | H8A | 108.1° | 109.5° |
| H7 | C7 | H7A | 107.4° | 109.4° |
| C9 | C8 | H8 | 108.7° | 109.4° |
| C9 | C8 | H8A | 108.1° | 109.4° |
| C8 | C9 | C10 | 109.4° | 109.5° |
| C8 | C9 | O4 | 108.8° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| H8 | C8 | H8A | 111.4° | 109.5° |
| C9 | C10 | C11 | 114.7° | 109.5° |
| C9 | C10 | H10 | 107.8° | 109.5° |
| C9 | C10 | H10A | 106.6° | 109.5° |
| C10 | C9 | O4 | 108.1° | 109.5° |
| C10 | C9 | H9 | 110.2° | 109.5° |
| C11 | C10 | H10 | 107.8° | 109.4° |
| C11 | C10 | H10A | 106.6° | 109.5° |
| C10 | C11 | C35 | 107.4° | 109.5° |
| C10 | C11 | O3 | 109.9° | 109.5° |
| C10 | C11 | H11 | 110.5° | 109.5° |
| H10 | C10 | H10A | 113.6° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.4° |
| C16 | C15 | C22 | 120.2° | 119.9° |
| C16 | C15 | H15 | 119.9° | 120.1° |
| C15 | C16 | C21 | 120.2° | 120.1° |
| C15 | C16 | H16 | 119.9° | 119.9° |
| C22 | C15 | H15 | 119.9° | 120.0° |
| C15 | C22 | C18 | 119.3° | 119.7° |
| C15 | C22 | C29 | 119.9° | 120.1° |
| C20 | C17 | C32 | 120.5° | 120.0° |
| C20 | C17 | H17 | 119.8° | 120.0° |
| C17 | C20 | C29 | 120.3° | 120.0° |
| C17 | C20 | H20 | 119.8° | 120.0° |
| C32 | C17 | H17 | 119.7° | 120.0° |
| C17 | C32 | C26 | 118.9° | 120.1° |
| C17 | C32 | N2 | 122.9° | 119.9° |
| C29 | C20 | H20 | 119.9° | 119.9° |
| C20 | C29 | C22 | 121.5° | 120.1° |
| C20 | C29 | C23 | 119.3° | 119.8° |
| C24 | C21 | C16 | 119.7° | 120.3° |
| C24 | C21 | H21 | 120.1° | 119.9° |
| C21 | C24 | C18 | 120.0° | 120.1° |
| C21 | C24 | H24 | 120.0° | 119.9° |
| C16 | C21 | H21 | 120.1° | 119.9° |
| C21 | C16 | H16 | 119.9° | 120.0° |
| C18 | C22 | C29 | 120.8° | 120.1° |
| C22 | C18 | C24 | 120.5° | 119.9° |
| C22 | C18 | H18 | 119.7° | 120.1° |
| C22 | C29 | C23 | 119.1° | 120.1° |
| C18 | C24 | H24 | 120.0° | 120.0° |
| C24 | C18 | H18 | 119.7° | 120.0° |
| C23 | C26 | C32 | 120.8° | 120.0° |
| C23 | C26 | H26 | 119.6° | 120.0° |
| C26 | C23 | C29 | 120.2° | 120.0° |
| C26 | C23 | H23 | 119.9° | 120.0° |
| C32 | C26 | H26 | 119.6° | 120.0° |
| C26 | C32 | N2 | 118.2° | 120.0° |
| O2 | C3 | N2 | 124.0° | 120.0° |
| O2 | C3 | C2 | 117.0° | 120.0° |
| N2 | C3 | C2 | 119.0° | 120.0° |
| C3 | N2 | C32 | 124.2° | 120.0° |
| C3 | N2 | HN2 | 117.9° | 119.9° |
| C3 | C2 | C12 | 123.7° | 127.0° |
| C3 | C2 | C1 | 126.1° | 127.0° |
| C32 | N2 | HN2 | 117.9° | 120.0° |
| C29 | C23 | H23 | 119.9° | 120.0° |
| C12 | C2 | C1 | 110.2° | 105.9° |
| C2 | C1 | C14 | 124.1° | 127.0° |
| H27 | C27 | H27A | 112.8° | 109.5° |
| C19 | C25 | H25 | 105.8° | 109.2° |
| C19 | C25 | H25A | 103.0° | 109.3° |
| C25 | C19 | C14 | 124.0° | 109.6° |
| C25 | C19 | H19 | 104.9° | 109.5° |
| C25 | C19 | H19A | 101.5° | 109.5° |
| H25 | C25 | H25A | 119.2° | 109.2° |
| C14 | C19 | H19 | 104.9° | 109.5° |
| C14 | C19 | H19A | 101.5° | 109.4° |
| C19 | C14 | C1 | 116.8° | 109.2° |
| C19 | C14 | H14 | 107.1° | 109.5° |
| C19 | C14 | H14A | 105.4° | 109.5° |
| H19 | C19 | H19A | 121.8° | 109.4° |
| C1 | C14 | H14 | 107.1° | 109.5° |
| C1 | C14 | H14A | 105.4° | 109.5° |
| H14 | C14 | H14A | 115.4° | 109.6° |
| O4 | C9 | H9 | 110.8° | 109.4° |
| C9 | O4 | HO4 | 109.5° | 114.0° |
| C35 | C11 | O3 | 109.3° | 109.5° |
| C35 | C11 | H11 | 111.1° | 109.5° |
| C11 | C35 | C36 | 111.7° | 109.5° |
| C11 | C35 | H35 | 108.7° | 109.4° |
| C11 | C35 | H35A | 108.2° | 109.5° |
| O3 | C11 | H11 | 108.6° | 109.4° |
| C11 | O3 | HO3 | 109.5° | 114.0° |
| C36 | C35 | H35 | 108.8° | 109.5° |
| C36 | C35 | H35A | 108.3° | 109.5° |
| C35 | C36 | O6 | 121.3° | 120.0° |
| C35 | C36 | O7 | 118.8° | 120.0° |
| H35 | C35 | H35A | 111.2° | 109.4° |
| O6 | C36 | O7 | 119.9° | 120.0° |
| C36 | O7 | HO7 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | N1 | C5 | C7 | 178.3° | 179.6° |
| C12 | N1 | C5 | C1 | 0.8° | 0.1° |
| C12 | N1 | C5 | C27 | 179.0° | 179.3° |
| N1 | C12 | C6 | C13 | 91.1° | 90.1° |
| N1 | C12 | C6 | C2 | 178.7° | 179.9° |
| N1 | C12 | C6 | H6 | 148.9° | 30.0° |
| N1 | C12 | C6 | H6A | 28.6° | 149.9° |
| C12 | N1 | C7 | C8 | 89.3° | 89.6° |
| C12 | N1 | C7 | H7 | 150.7° | 30.5° |
| C12 | N1 | C7 | H7A | 31.7° | 150.3° |
| N1 | C12 | C2 | C3 | 179.9° | 180.0° |
| N1 | C12 | C2 | C1 | 1.0° | 0.1° |
| N1 | C5 | C27 | C4 | 166.4° | 133.6° |
| N1 | C5 | C1 | C27 | 179.8° | 179.4° |
| C5 | N1 | C12 | C6 | 180.0° | 179.8° |
| C5 | N1 | C7 | C8 | 88.7° | 89.9° |
| C5 | N1 | C7 | H7 | 31.3° | 150.0° |
| C5 | N1 | C7 | H7A | 150.2° | 30.1° |
| C5 | N1 | C12 | C2 | 1.1° | 0.1° |
| N1 | C5 | C1 | C2 | 0.2° | 0.0° |
| N1 | C5 | C27 | H27 | 73.6° | 106.4° |
| N1 | C5 | C27 | H27A | 48.2° | 13.7° |
| N1 | C5 | C1 | C14 | 179.6° | 179.1° |
| C7 | N1 | C5 | C1 | 179.1° | 179.6° |
| C7 | N1 | C5 | C27 | 0.7° | 1.1° |
| C7 | N1 | C12 | C6 | 1.7° | 0.6° |
| N1 | C7 | C8 | H7 | 120.0° | 120.0° |
| N1 | C7 | C8 | H7A | 121.1° | 120.0° |
| N1 | C7 | H7 | H7A | 121.1° | 119.9° |
| N1 | C7 | C8 | C9 | 171.7° | 180.0° |
| N1 | C7 | C8 | H8 | 68.3° | 60.0° |
| N1 | C7 | C8 | H8A | 52.7° | 60.1° |
| C7 | N1 | C12 | C2 | 179.4° | 179.5° |
| C25 | C4 | C27 | H4 | 120.0° | 120.1° |
| C25 | C4 | C27 | H4A | 120.0° | 120.1° |
| C25 | C4 | H4 | H4A | 119.9° | 119.8° |
| C25 | C4 | C27 | C5 | 64.5° | 88.9° |
| C25 | C4 | C27 | H27 | 55.5° | 31.1° |
| C25 | C4 | C27 | H27A | 177.3° | 151.2° |
| C4 | C25 | C19 | H25 | 120.0° | 120.3° |
| C4 | C25 | C19 | H25A | 114.2° | 120.3° |
| C4 | C25 | H25 | H25A | 115.2° | 119.5° |
| C4 | C25 | C19 | C14 | 29.9° | 61.4° |
| C4 | C25 | C19 | H19 | 90.1° | 178.6° |
| C4 | C25 | C19 | H19A | 142.3° | 58.7° |
| C27 | C4 | H4 | H4A | 120.0° | 119.8° |
| C4 | C27 | C5 | C1 | 13.9° | 47.1° |
| C4 | C27 | C5 | H27 | 120.0° | 120.0° |
| C4 | C27 | C5 | H27A | 118.2° | 119.9° |
| C4 | C27 | H27 | H27A | 118.3° | 120.1° |
| C27 | C4 | C25 | C19 | 88.7° | 33.7° |
| C27 | C4 | C25 | H25 | 151.3° | 153.9° |
| C27 | C4 | C25 | H25A | 25.5° | 86.7° |
| H4 | C4 | C27 | C5 | 175.5° | 31.2° |
| H4 | C4 | C27 | H27 | 64.6° | 151.2° |
| H4 | C4 | C27 | H27A | 57.3° | 88.7° |
| H4 | C4 | C25 | C19 | 151.3° | 86.5° |
| H4 | C4 | C25 | H25 | 31.3° | 33.8° |
| H4 | C4 | C25 | H25A | 94.5° | 153.2° |
| H4A | C4 | C27 | C5 | 55.4° | 151.0° |
| H4A | C4 | C27 | H27 | 175.4° | 89.0° |
| H4A | C4 | C27 | H27A | 62.8° | 31.1° |
| H4A | C4 | C25 | C19 | 31.3° | 153.7° |
| H4A | C4 | C25 | H25 | 88.7° | 86.1° |
| H4A | C4 | C25 | H25A | 145.5° | 33.4° |
| C5 | C1 | C2 | C3 | 179.4° | 179.9° |
| C5 | C1 | C2 | C12 | 0.5° | 0.1° |
| C5 | C1 | C2 | C14 | 179.8° | 179.0° |
| C1 | C5 | C27 | H27 | 106.1° | 72.9° |
| C1 | C5 | C27 | H27A | 132.1° | 167.0° |
| C5 | C1 | C14 | C19 | 30.6° | 28.0° |
| C5 | C1 | C14 | H14 | 89.4° | 92.0° |
| C5 | C1 | C14 | H14A | 147.3° | 147.9° |
| C27 | C5 | C1 | C2 | 179.6° | 179.4° |
| C5 | C27 | H27 | H27A | 118.3° | 120.1° |
| C27 | C5 | C1 | C14 | 0.6° | 1.5° |
| C13 | C6 | C12 | H6 | 120.0° | 120.0° |
| C13 | C6 | C12 | H6A | 119.7° | 120.0° |
| C13 | C6 | H6 | H6A | 119.7° | 120.0° |
| C6 | C13 | H13 | H13A | 120.0° | 120.0° |
| C6 | C13 | H13 | H13B | 120.0° | 120.0° |
| C6 | C13 | H13A | H13B | 120.0° | 120.0° |
| C13 | C6 | C12 | C2 | 90.2° | 90.0° |
| C12 | C6 | H6 | H6A | 119.7° | 120.0° |
| C12 | C6 | C13 | H13 | 48.1° | 60.0° |
| C12 | C6 | C13 | H13A | 168.2° | 60.0° |
| C12 | C6 | C13 | H13B | 71.9° | 179.9° |
| C6 | C12 | C2 | C3 | 1.2° | 0.0° |
| C6 | C12 | C2 | C1 | 179.9° | 179.8° |
| H6 | C6 | C13 | H13 | 168.1° | 60.0° |
| H6 | C6 | C13 | H13A | 71.8° | 179.9° |
| H6 | C6 | C13 | H13B | 48.2° | 60.0° |
| H6 | C6 | C12 | C2 | 29.8° | 150.0° |
| H6A | C6 | C13 | H13 | 71.6° | 180.0° |
| H6A | C6 | C13 | H13A | 48.4° | 60.0° |
| H6A | C6 | C13 | H13B | 168.4° | 60.0° |
| H6A | C6 | C12 | C2 | 150.1° | 30.0° |
| C8 | C7 | H7 | H7A | 121.0° | 120.1° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 119.0° | 120.0° |
| C7 | C8 | H8 | H8A | 119.0° | 120.1° |
| C7 | C8 | C9 | C10 | 173.1° | 175.0° |
| C7 | C8 | C9 | O4 | 68.9° | 65.0° |
| C7 | C8 | C9 | H9 | 52.3° | 55.0° |
| H7 | C7 | C8 | C9 | 51.7° | 60.0° |
| H7 | C7 | C8 | H8 | 171.7° | 180.0° |
| H7 | C7 | C8 | H8A | 67.3° | 59.9° |
| H7A | C7 | C8 | C9 | 67.2° | 60.0° |
| H7A | C7 | C8 | H8 | 52.8° | 59.9° |
| H7A | C7 | C8 | H8A | 173.8° | 180.0° |
| C9 | C8 | H8 | H8A | 119.0° | 120.0° |
| C8 | C9 | C10 | O4 | 118.4° | 120.0° |
| C8 | C9 | C10 | H9 | 120.4° | 120.0° |
| C8 | C9 | C10 | C11 | 78.6° | 175.0° |
| C8 | C9 | C10 | H10 | 161.4° | 65.0° |
| C8 | C9 | C10 | H10A | 39.1° | 55.0° |
| C8 | C9 | O4 | H9 | 120.4° | 120.0° |
| C8 | C9 | O4 | HO4 | 5.6° | 60.1° |
| H8 | C8 | C9 | C10 | 66.9° | 65.0° |
| H8 | C8 | C9 | O4 | 51.1° | 55.0° |
| H8 | C8 | C9 | H9 | 172.3° | 175.0° |
| H8A | C8 | C9 | C10 | 54.2° | 55.0° |
| H8A | C8 | C9 | O4 | 172.1° | 175.0° |
| H8A | C8 | C9 | H9 | 66.7° | 65.0° |
| C9 | C10 | C11 | H10 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10A | 117.7° | 120.0° |
| C9 | C10 | H10 | H10A | 117.9° | 120.0° |
| C10 | C9 | O4 | H9 | 120.8° | 120.0° |
| C10 | C9 | O4 | HO4 | 113.2° | 59.9° |
| C9 | C10 | C11 | C35 | 172.5° | 175.0° |
| C9 | C10 | C11 | O3 | 68.7° | 65.0° |
| C9 | C10 | C11 | H11 | 51.2° | 55.0° |
| C11 | C10 | H10 | H10A | 117.9° | 120.0° |
| C11 | C10 | C9 | O4 | 163.0° | 65.0° |
| C11 | C10 | C9 | H9 | 41.8° | 55.0° |
| C10 | C11 | C35 | O3 | 119.2° | 120.0° |
| C10 | C11 | C35 | H11 | 120.9° | 120.0° |
| C10 | C11 | O3 | H11 | 121.0° | 120.0° |
| C10 | C11 | O3 | HO3 | 40.9° | 60.0° |
| C10 | C11 | C35 | C36 | 157.7° | 175.0° |
| C10 | C11 | C35 | H35 | 82.3° | 65.0° |
| C10 | C11 | C35 | H35A | 38.7° | 55.0° |
| H10 | C10 | C9 | O4 | 43.0° | 55.0° |
| H10 | C10 | C9 | H9 | 78.2° | 175.0° |
| H10 | C10 | C11 | C35 | 67.5° | 65.0° |
| H10 | C10 | C11 | O3 | 51.3° | 55.0° |
| H10 | C10 | C11 | H11 | 171.2° | 175.0° |
| H10A | C10 | C9 | O4 | 79.3° | 175.0° |
| H10A | C10 | C9 | H9 | 159.5° | 65.0° |
| H10A | C10 | C11 | C35 | 54.8° | 55.0° |
| H10A | C10 | C11 | O3 | 173.6° | 175.0° |
| H10A | C10 | C11 | H11 | 66.5° | 65.0° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
| C16 | C15 | C22 | H15 | 180.0° | 179.8° |
| C15 | C16 | C21 | C24 | 0.3° | 0.6° |
| C15 | C16 | C21 | H16 | 180.0° | 179.4° |
| C15 | C16 | C21 | H21 | 179.7° | 179.7° |
| C16 | C15 | C22 | C18 | 0.6° | 0.3° |
| C16 | C15 | C22 | C29 | 179.3° | 179.7° |
| C15 | C22 | C29 | C20 | 74.8° | 180.0° |
| C22 | C15 | C16 | C21 | 0.1° | 0.0° |
| C15 | C22 | C18 | C29 | 178.8° | 180.0° |
| C15 | C22 | C18 | C24 | 0.6° | 0.0° |
| C15 | C22 | C29 | C23 | 104.2° | 0.0° |
| C15 | C22 | C18 | H18 | 179.3° | 180.0° |
| C22 | C15 | C16 | H16 | 179.9° | 179.4° |
| H15 | C15 | C16 | C21 | 179.9° | 179.7° |
| H15 | C15 | C22 | C18 | 179.4° | 180.0° |
| H15 | C15 | C22 | C29 | 0.7° | 0.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.3° |
| C20 | C17 | C32 | H17 | 180.0° | 179.8° |
| C17 | C20 | C29 | H20 | 180.0° | 180.0° |
| C17 | C20 | C29 | C22 | 179.4° | 179.9° |
| C20 | C17 | C32 | C26 | 1.2° | 0.2° |
| C20 | C17 | C32 | N2 | 179.4° | 179.8° |
| C17 | C20 | C29 | C23 | 0.4° | 0.0° |
| C32 | C17 | C20 | C29 | 0.5° | 0.1° |
| C32 | C17 | C20 | H20 | 179.5° | 180.0° |
| C17 | C32 | C26 | C23 | 1.0° | 0.5° |
| C17 | C32 | C26 | N2 | 178.3° | 180.0° |
| C17 | C32 | C26 | H26 | 179.0° | 180.0° |
| C17 | C32 | N2 | C3 | 47.9° | 35.1° |
| C17 | C32 | N2 | HN2 | 132.1° | 144.8° |
| H17 | C17 | C20 | C29 | 179.5° | 179.7° |
| H17 | C17 | C20 | H20 | 0.5° | 0.2° |
| H17 | C17 | C32 | C26 | 178.8° | 180.0° |
| H17 | C17 | C32 | N2 | 0.7° | 0.0° |
| C20 | C29 | C22 | C18 | 106.4° | 0.0° |
| C20 | C29 | C22 | C23 | 179.1° | 179.9° |
| C20 | C29 | C23 | C26 | 0.5° | 0.3° |
| C20 | C29 | C23 | H23 | 179.5° | 179.7° |
| H20 | C20 | C29 | C22 | 0.6° | 0.1° |
| H20 | C20 | C29 | C23 | 179.7° | 180.0° |
| C24 | C21 | C16 | H21 | 180.0° | 179.1° |
| C21 | C24 | C18 | C22 | 0.2° | 0.5° |
| C21 | C24 | C18 | H24 | 180.0° | 179.1° |
| C21 | C24 | C18 | H18 | 179.7° | 179.5° |
| C24 | C21 | C16 | H16 | 179.7° | 180.0° |
| C16 | C21 | C24 | C18 | 0.3° | 0.8° |
| C16 | C21 | C24 | H24 | 179.8° | 180.0° |
| H21 | C21 | C24 | C18 | 179.8° | 180.0° |
| H21 | C21 | C24 | H24 | 0.2° | 0.9° |
| H21 | C21 | C16 | H16 | 0.3° | 0.9° |
| C22 | C18 | C24 | H18 | 180.0° | 180.0° |
| C22 | C18 | C24 | H24 | 179.8° | 179.7° |
| C18 | C22 | C29 | C23 | 74.6° | 180.0° |
| C29 | C22 | C18 | C24 | 179.4° | 180.0° |
| C22 | C29 | C23 | C26 | 179.6° | 179.8° |
| C22 | C29 | C23 | H23 | 0.4° | 0.3° |
| C29 | C22 | C18 | H18 | 0.6° | 0.0° |
| H24 | C24 | C18 | H18 | 0.3° | 0.3° |
| C23 | C26 | C32 | H26 | 180.0° | 179.4° |
| C23 | C26 | C32 | N2 | 179.3° | 179.4° |
| C26 | C23 | C29 | H23 | 180.0° | 179.4° |
| C26 | C32 | N2 | C3 | 133.9° | 144.9° |
| C26 | C32 | N2 | HN2 | 46.1° | 35.2° |
| C32 | C26 | C23 | C29 | 0.2° | 0.6° |
| C32 | C26 | C23 | H23 | 179.8° | 180.0° |
| H26 | C26 | C32 | N2 | 0.7° | 0.0° |
| H26 | C26 | C23 | C29 | 179.8° | 180.0° |
| H26 | C26 | C23 | H23 | 0.2° | 0.6° |
| O2 | C3 | N2 | C2 | 177.1° | 180.0° |
| O2 | C3 | N2 | C32 | 0.6° | 4.6° |
| O2 | C3 | N2 | HN2 | 179.4° | 175.4° |
| O2 | C3 | C2 | C12 | 50.4° | 90.0° |
| O2 | C3 | C2 | C1 | 128.3° | 90.2° |
| C3 | N2 | C32 | HN2 | 180.0° | 180.0° |
| N2 | C3 | C2 | C12 | 126.8° | 90.0° |
| N2 | C3 | C2 | C1 | 54.5° | 89.8° |
| C2 | C3 | N2 | C32 | 176.5° | 175.4° |
| C2 | C3 | N2 | HN2 | 3.5° | 4.6° |
| C3 | C2 | C12 | C1 | 178.9° | 179.8° |
| C3 | C2 | C1 | C14 | 0.8° | 1.0° |
| C12 | C2 | C1 | C14 | 179.7° | 179.2° |
| C2 | C1 | C14 | C19 | 149.6° | 153.2° |
| C2 | C1 | C14 | H14 | 90.4° | 86.9° |
| C2 | C1 | C14 | H14A | 33.0° | 33.2° |
| C19 | C25 | H25 | H25A | 115.2° | 119.4° |
| C25 | C19 | C14 | H19 | 120.0° | 120.0° |
| C25 | C19 | C14 | H19A | 112.4° | 120.0° |
| C25 | C19 | H19 | H19A | 114.0° | 120.0° |
| C25 | C19 | C14 | C1 | 30.4° | 88.9° |
| C25 | C19 | C14 | H14 | 89.6° | 31.1° |
| C25 | C19 | C14 | H14A | 147.1° | 151.2° |
| H25 | C25 | C19 | C14 | 149.9° | 58.9° |
| H25 | C25 | C19 | H19 | 29.9° | 61.1° |
| H25 | C25 | C19 | H19A | 97.7° | 178.9° |
| H25A | C25 | C19 | C14 | 84.3° | 178.3° |
| H25A | C25 | C19 | H19 | 155.7° | 58.3° |
| H25A | C25 | C19 | H19A | 28.1° | 61.7° |
| C14 | C19 | H19 | H19A | 114.0° | 119.9° |
| C19 | C14 | C1 | H14 | 120.0° | 119.9° |
| C19 | C14 | C1 | H14A | 116.6° | 119.9° |
| C19 | C14 | H14 | H14A | 117.0° | 120.1° |
| H19 | C19 | C14 | C1 | 150.4° | 151.1° |
| H19 | C19 | C14 | H14 | 30.4° | 89.0° |
| H19 | C19 | C14 | H14A | 92.9° | 31.2° |
| H19A | C19 | C14 | C1 | 82.0° | 31.2° |
| H19A | C19 | C14 | H14 | 158.0° | 151.1° |
| H19A | C19 | C14 | H14A | 34.6° | 88.7° |
| C1 | C14 | H14 | H14A | 117.0° | 120.1° |
| H9 | C9 | O4 | HO4 | 126.0° | 180.0° |
| C35 | C11 | O3 | H11 | 121.4° | 119.9° |
| C35 | C11 | O3 | HO3 | 158.5° | 60.1° |
| C11 | C35 | C36 | H35 | 120.0° | 120.0° |
| C11 | C35 | C36 | H35A | 119.1° | 120.0° |
| C11 | C35 | H35 | H35A | 119.1° | 119.9° |
| C11 | C35 | C36 | O6 | 71.8° | 0.0° |
| C11 | C35 | C36 | O7 | 109.4° | 180.0° |
| O3 | C11 | C35 | C36 | 83.1° | 65.0° |
| O3 | C11 | C35 | H35 | 36.9° | 55.1° |
| O3 | C11 | C35 | H35A | 157.8° | 175.0° |
| H11 | C11 | O3 | HO3 | 80.1° | 180.0° |
| H11 | C11 | C35 | C36 | 36.8° | 55.0° |
| H11 | C11 | C35 | H35 | 156.8° | 175.0° |
| H11 | C11 | C35 | H35A | 82.3° | 65.1° |
| C36 | C35 | H35 | H35A | 119.1° | 120.0° |
| C35 | C36 | O6 | O7 | 178.8° | 180.0° |
| C35 | C36 | O7 | HO7 | 178.8° | 180.0° |
| H35 | C35 | C36 | O6 | 168.2° | 120.0° |
| H35 | C35 | C36 | O7 | 10.6° | 60.0° |
| H35A | C35 | C36 | O6 | 47.3° | 120.0° |
| H35A | C35 | C36 | O7 | 131.5° | 60.0° |
| O6 | C36 | O7 | HO7 | 0.0° | 0.0° |
