3HI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| C5 | N1 | sing | 1.37Å | 1.33Å | Aromatic |
| N1 | C7 | sing | 1.46Å | 1.46Å | |
| C1 | C5 | doub | 1.38Å | 1.48Å | Aromatic |
| C5 | C27 | sing | 1.48Å | 1.49Å | Aromatic |
| C13 | C6 | sing | 1.53Å | 1.53Å | |
| C12 | C6 | sing | 1.51Å | 1.49Å | |
| C6 | C14 | sing | 1.53Å | 1.51Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | 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 | |
| C30 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C15 | sing | 1.38Å | 1.39Å | 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 | |
| C20 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | O2 | sing | 1.36Å | 1.32Å | |
| C28 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| O7 | C36 | doub | 1.21Å | 1.26Å | |
| C36 | O6 | sing | 1.34Å | 1.26Å | |
| C36 | C35 | sing | 1.51Å | 1.51Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C35 | C11 | sing | 1.53Å | 1.52Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C11 | O3 | sing | 1.43Å | 1.42Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C9 | O4 | sing | 1.43Å | 1.41Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C27 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C30 | F1 | sing | 1.35Å | 1.34Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | C12 | doub | 1.37Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.47Å | 1.50Å | |
| C2 | C1 | sing | 1.47Å | 1.39Å | Aromatic |
| C31 | C1 | sing | 1.48Å | 1.50Å | Aromatic |
| C25 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C19 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| O1 | C3 | doub | 1.22Å | 1.23Å | |
| C3 | N2 | sing | 1.35Å | 1.35Å | |
| C32 | N2 | sing | 1.40Å | 1.42Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C29 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N1 | C5 | 110.7° | 110.5° |
| C12 | N1 | C7 | 125.8° | 124.7° |
| N1 | C12 | C6 | 121.7° | 125.4° |
| N1 | C12 | C2 | 109.5° | 109.2° |
| C5 | N1 | C7 | 123.5° | 124.7° |
| N1 | C5 | C1 | 107.0° | 108.1° |
| N1 | C5 | C27 | 129.0° | 126.0° |
| N1 | C7 | C8 | 108.7° | 109.5° |
| N1 | C7 | H7 | 109.7° | 109.5° |
| N1 | C7 | H7A | 109.9° | 109.5° |
| C1 | C5 | C27 | 124.0° | 125.9° |
| C5 | C1 | C2 | 106.0° | 105.8° |
| C5 | C1 | C31 | 125.6° | 127.1° |
| C5 | C27 | C21 | 116.5° | 120.1° |
| C5 | C27 | C18 | 123.6° | 120.1° |
| C13 | C6 | C12 | 111.1° | 109.5° |
| C13 | C6 | C14 | 113.5° | 109.5° |
| C13 | C6 | H6 | 105.5° | 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 | C14 | 109.7° | 109.4° |
| C12 | C6 | H6 | 109.7° | 109.5° |
| C6 | C12 | C2 | 128.8° | 125.4° |
| C14 | C6 | H6 | 107.1° | 109.5° |
| C6 | C14 | H14 | 109.5° | 109.5° |
| C6 | C14 | H14A | 109.5° | 109.5° |
| C6 | C14 | H14B | 109.5° | 109.4° |
| C8 | C7 | H7 | 109.7° | 109.5° |
| C8 | C7 | H7A | 109.9° | 109.4° |
| C7 | C8 | C9 | 108.8° | 109.5° |
| C7 | C8 | H8 | 109.7° | 109.5° |
| C7 | C8 | H8A | 109.9° | 109.4° |
| H7 | C7 | H7A | 108.9° | 109.5° |
| C9 | C8 | H8 | 109.7° | 109.5° |
| C9 | C8 | H8A | 109.8° | 109.4° |
| C8 | C9 | C10 | 108.1° | 109.5° |
| C8 | C9 | O4 | 107.7° | 109.5° |
| C8 | C9 | H9 | 112.4° | 109.5° |
| H8 | C8 | H8A | 109.0° | 109.5° |
| C11 | C10 | C9 | 111.2° | 109.5° |
| C11 | C10 | H10 | 108.9° | 109.5° |
| C11 | C10 | H10A | 108.5° | 109.5° |
| C10 | C11 | C35 | 109.2° | 109.5° |
| C10 | C11 | O3 | 108.2° | 109.5° |
| C10 | C11 | H11 | 111.1° | 109.4° |
| C9 | C10 | H10 | 108.9° | 109.5° |
| C9 | C10 | H10A | 108.5° | 109.4° |
| C10 | C9 | O4 | 112.0° | 109.5° |
| C10 | C9 | H9 | 108.1° | 109.4° |
| H10 | C10 | H10A | 110.8° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.4° |
| H13 | C13 | H13B | 109.4° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| C30 | C15 | C18 | 120.1° | 120.1° |
| C30 | C15 | H15 | 120.0° | 119.9° |
| C15 | C30 | C24 | 120.7° | 120.3° |
| C15 | C30 | F1 | 119.9° | 119.8° |
| C18 | C15 | H15 | 120.0° | 120.0° |
| C15 | C18 | C27 | 119.7° | 119.9° |
| C15 | C18 | H18 | 120.2° | 120.0° |
| C20 | C17 | C32 | 120.1° | 120.0° |
| C20 | C17 | H17 | 120.0° | 120.0° |
| C17 | C20 | C29 | 121.1° | 120.2° |
| C17 | C20 | H20 | 119.5° | 119.9° |
| C32 | C17 | H17 | 119.9° | 120.0° |
| C17 | C32 | C26 | 118.2° | 119.8° |
| C17 | C32 | N2 | 121.8° | 120.1° |
| C29 | C20 | H20 | 119.4° | 119.9° |
| C20 | C29 | C23 | 119.3° | 120.1° |
| C20 | C29 | H29 | 120.4° | 119.9° |
| C24 | C21 | C27 | 120.9° | 119.8° |
| C24 | C21 | H21 | 119.6° | 120.1° |
| C21 | C24 | C30 | 118.9° | 120.1° |
| C21 | C24 | H24 | 120.5° | 119.9° |
| C27 | C21 | H21 | 119.5° | 120.1° |
| C21 | C27 | C18 | 119.8° | 119.8° |
| C25 | C22 | C28 | 120.9° | 120.1° |
| C25 | C22 | H22 | 119.5° | 120.0° |
| C22 | C25 | C31 | 120.2° | 119.9° |
| C22 | C25 | H25 | 119.9° | 120.1° |
| C28 | C22 | H22 | 119.5° | 119.9° |
| C22 | C28 | C19 | 119.2° | 120.3° |
| C22 | C28 | H28 | 120.4° | 119.9° |
| C30 | C24 | H24 | 120.5° | 120.0° |
| C24 | C30 | F1 | 119.4° | 119.9° |
| C32 | C26 | C23 | 122.0° | 119.8° |
| C32 | C26 | O2 | 120.4° | 120.1° |
| C26 | C32 | N2 | 120.0° | 120.1° |
| C23 | C26 | O2 | 117.6° | 120.1° |
| C26 | C23 | C29 | 119.4° | 120.0° |
| C26 | C23 | H23 | 120.3° | 119.9° |
| C26 | O2 | HO2 | 109.5° | 114.0° |
| C19 | C28 | H28 | 120.4° | 119.9° |
| C28 | C19 | C16 | 119.9° | 120.1° |
| C28 | C19 | H19 | 120.1° | 119.9° |
| O7 | C36 | O6 | 122.9° | 120.0° |
| O7 | C36 | C35 | 118.8° | 120.0° |
| O6 | C36 | C35 | 118.3° | 120.0° |
| C36 | O6 | HO6 | 109.5° | 117.0° |
| C36 | C35 | C11 | 111.3° | 109.5° |
| C36 | C35 | H35 | 108.9° | 109.5° |
| C36 | C35 | H35A | 108.4° | 109.5° |
| C11 | C35 | H35 | 108.9° | 109.5° |
| C11 | C35 | H35A | 108.5° | 109.5° |
| C35 | C11 | O3 | 111.2° | 109.5° |
| C35 | C11 | H11 | 108.1° | 109.4° |
| H35 | C35 | H35A | 110.9° | 109.4° |
| O3 | C11 | H11 | 109.0° | 109.5° |
| C11 | O3 | HO3 | 109.5° | 114.0° |
| O4 | C9 | H9 | 108.6° | 109.5° |
| C9 | O4 | HO4 | 109.5° | 114.0° |
| C27 | C18 | H18 | 120.2° | 120.1° |
| C12 | C2 | C3 | 125.0° | 126.8° |
| C12 | C2 | C1 | 106.7° | 106.4° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.4° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| C3 | C2 | C1 | 128.1° | 126.8° |
| C2 | C3 | O1 | 115.2° | 120.0° |
| C2 | C3 | N2 | 122.1° | 120.0° |
| C2 | C1 | C31 | 128.2° | 127.1° |
| C1 | C31 | C25 | 122.3° | 120.2° |
| C1 | C31 | C16 | 119.1° | 120.1° |
| C25 | C31 | C16 | 118.6° | 119.7° |
| C31 | C25 | H25 | 119.9° | 120.1° |
| C31 | C16 | C19 | 121.2° | 119.9° |
| C31 | C16 | H16 | 119.4° | 120.1° |
| C16 | C19 | H19 | 120.1° | 120.0° |
| C19 | C16 | H16 | 119.4° | 120.1° |
| O1 | C3 | N2 | 122.5° | 120.0° |
| C3 | N2 | C32 | 124.9° | 120.0° |
| C3 | N2 | HN2 | 117.6° | 120.0° |
| C32 | N2 | HN2 | 117.6° | 120.0° |
| C29 | C23 | H23 | 120.3° | 120.0° |
| C23 | C29 | H29 | 120.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | N1 | C5 | C7 | 179.0° | 179.8° |
| C12 | N1 | C5 | C1 | 1.0° | 0.2° |
| C12 | N1 | C5 | C27 | 178.8° | 179.8° |
| N1 | C12 | C6 | C13 | 118.5° | 120.0° |
| N1 | C12 | C6 | C2 | 179.4° | 180.0° |
| N1 | C12 | C6 | C14 | 115.2° | 120.0° |
| N1 | C12 | C6 | H6 | 2.2° | 0.0° |
| C12 | N1 | C7 | C8 | 82.7° | 94.1° |
| C12 | N1 | C7 | H7 | 157.3° | 25.9° |
| C12 | N1 | C7 | H7A | 37.6° | 145.9° |
| N1 | C12 | C2 | C3 | 177.9° | 180.0° |
| N1 | C12 | C2 | C1 | 2.1° | 0.2° |
| N1 | C5 | C1 | C27 | 178.0° | 180.0° |
| C5 | N1 | C12 | C6 | 179.8° | 179.7° |
| C5 | N1 | C7 | C8 | 98.4° | 85.6° |
| C5 | N1 | C7 | H7 | 21.5° | 154.3° |
| C5 | N1 | C7 | H7A | 141.2° | 34.3° |
| N1 | C5 | C27 | C21 | 73.1° | 54.6° |
| N1 | C5 | C27 | C18 | 104.0° | 125.7° |
| C5 | N1 | C12 | C2 | 0.6° | 0.2° |
| N1 | C5 | C1 | C2 | 2.3° | 0.1° |
| N1 | C5 | C1 | C31 | 177.8° | 179.9° |
| C7 | N1 | C5 | C1 | 180.0° | 180.0° |
| C7 | N1 | C5 | C27 | 2.1° | 0.0° |
| C7 | N1 | C12 | C6 | 1.2° | 0.0° |
| N1 | C7 | C8 | H7 | 120.0° | 120.0° |
| N1 | C7 | C8 | H7A | 120.3° | 120.0° |
| N1 | C7 | H7 | H7A | 120.3° | 120.0° |
| N1 | C7 | C8 | C9 | 167.2° | 175.3° |
| N1 | C7 | C8 | H8 | 72.8° | 55.2° |
| N1 | C7 | C8 | H8A | 46.9° | 64.8° |
| C7 | N1 | C12 | C2 | 178.3° | 180.0° |
| C1 | C5 | C27 | C21 | 104.4° | 125.4° |
| C1 | C5 | C27 | C18 | 78.5° | 54.4° |
| C5 | C1 | C2 | C12 | 2.6° | 0.0° |
| C5 | C1 | C2 | C3 | 178.2° | 179.9° |
| C5 | C1 | C2 | C31 | 175.4° | 180.0° |
| C5 | C1 | C31 | C25 | 55.9° | 65.4° |
| C5 | C1 | C31 | C16 | 121.5° | 114.6° |
| C5 | C27 | C18 | C15 | 178.5° | 179.7° |
| C5 | C27 | C21 | C24 | 178.8° | 180.0° |
| C5 | C27 | C21 | C18 | 177.2° | 179.7° |
| C5 | C27 | C21 | H21 | 1.2° | 0.2° |
| C5 | C27 | C18 | H18 | 1.5° | 0.2° |
| C27 | C5 | C1 | C2 | 179.8° | 179.9° |
| C27 | C5 | C1 | C31 | 4.2° | 0.1° |
| C13 | C6 | C12 | C14 | 126.3° | 120.0° |
| C13 | C6 | C12 | H6 | 116.3° | 120.0° |
| C13 | C6 | C14 | H6 | 116.1° | 120.0° |
| C6 | C13 | H13 | H13A | 120.0° | 120.0° |
| C6 | C13 | H13 | H13B | 120.0° | 120.1° |
| C6 | C13 | H13A | H13B | 120.0° | 120.0° |
| C13 | C6 | C12 | C2 | 62.1° | 60.0° |
| C13 | C6 | C14 | H14 | 171.6° | 60.0° |
| C13 | C6 | C14 | H14A | 68.5° | 180.0° |
| C13 | C6 | C14 | H14B | 51.6° | 60.0° |
| C12 | C6 | C14 | H6 | 119.0° | 120.0° |
| C12 | C6 | C13 | H13 | 141.2° | 59.9° |
| C12 | C6 | C13 | H13A | 21.2° | 60.0° |
| C12 | C6 | C13 | H13B | 98.8° | 180.0° |
| C12 | C6 | C14 | H14 | 63.5° | 179.9° |
| C12 | C6 | C14 | H14A | 56.5° | 60.0° |
| C12 | C6 | C14 | H14B | 176.5° | 60.0° |
| C6 | C12 | C2 | C3 | 2.6° | 0.0° |
| C6 | C12 | C2 | C1 | 178.4° | 179.8° |
| C14 | C6 | C13 | H13 | 17.0° | 60.0° |
| C14 | C6 | C13 | H13A | 103.0° | 180.0° |
| C14 | C6 | C13 | H13B | 137.0° | 60.0° |
| C14 | C6 | C12 | C2 | 64.2° | 60.0° |
| C6 | C14 | H14 | H14A | 120.0° | 120.0° |
| C6 | C14 | H14 | H14B | 120.0° | 120.0° |
| C6 | C14 | H14A | H14B | 120.0° | 120.0° |
| H6 | C6 | C13 | H13 | 99.9° | 180.0° |
| H6 | C6 | C13 | H13A | 140.1° | 60.0° |
| H6 | C6 | C13 | H13B | 20.1° | 60.0° |
| H6 | C6 | C12 | C2 | 178.4° | 180.0° |
| H6 | C6 | C14 | H14 | 55.5° | 60.0° |
| H6 | C6 | C14 | H14A | 175.5° | 60.0° |
| H6 | C6 | C14 | H14B | 64.5° | 180.0° |
| C8 | C7 | H7 | H7A | 120.3° | 119.9° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 120.3° | 119.9° |
| C7 | C8 | H8 | H8A | 120.3° | 120.0° |
| C7 | C8 | C9 | C10 | 163.7° | 174.9° |
| C7 | C8 | C9 | O4 | 75.0° | 65.0° |
| C7 | C8 | C9 | H9 | 44.5° | 55.0° |
| H7 | C7 | C8 | C9 | 47.2° | 64.7° |
| H7 | C7 | C8 | H8 | 167.2° | 175.3° |
| H7 | C7 | C8 | H8A | 73.1° | 55.3° |
| H7A | C7 | C8 | C9 | 72.5° | 55.3° |
| H7A | C7 | C8 | H8 | 47.5° | 64.8° |
| H7A | C7 | C8 | H8A | 167.2° | 175.2° |
| C9 | C8 | H8 | H8A | 120.3° | 120.0° |
| C8 | C9 | C10 | C11 | 81.7° | 175.0° |
| C8 | C9 | C10 | O4 | 118.5° | 120.0° |
| C8 | C9 | C10 | H9 | 121.9° | 120.0° |
| C8 | C9 | C10 | H10 | 38.3° | 55.0° |
| C8 | C9 | C10 | H10A | 159.0° | 65.0° |
| C8 | C9 | O4 | H9 | 122.0° | 120.0° |
| C8 | C9 | O4 | HO4 | 132.2° | 60.0° |
| H8 | C8 | C9 | C10 | 76.3° | 65.0° |
| H8 | C8 | C9 | O4 | 45.0° | 55.0° |
| H8 | C8 | C9 | H9 | 164.5° | 175.0° |
| H8A | C8 | C9 | C10 | 43.5° | 55.0° |
| H8A | C8 | C9 | O4 | 164.7° | 175.0° |
| H8A | C8 | C9 | H9 | 75.8° | 65.0° |
| C11 | C10 | C9 | H10 | 120.0° | 120.0° |
| C11 | C10 | C9 | H10A | 119.3° | 120.0° |
| C11 | C10 | H10 | H10A | 119.3° | 120.0° |
| C10 | C11 | C35 | C36 | 165.9° | 175.0° |
| C10 | C11 | C35 | O3 | 119.4° | 120.0° |
| C10 | C11 | C35 | H11 | 121.0° | 120.0° |
| C10 | C11 | C35 | H35 | 45.9° | 54.9° |
| C10 | C11 | C35 | H35A | 74.9° | 65.0° |
| C10 | C11 | O3 | H11 | 121.0° | 120.0° |
| C10 | C11 | O3 | HO3 | 154.3° | 60.0° |
| C11 | C10 | C9 | O4 | 159.8° | 65.0° |
| C11 | C10 | C9 | H9 | 40.3° | 55.0° |
| C9 | C10 | H10 | H10A | 119.3° | 119.9° |
| C9 | C10 | C11 | C35 | 173.1° | 175.0° |
| C9 | C10 | C11 | O3 | 65.7° | 65.0° |
| C9 | C10 | C11 | H11 | 54.0° | 55.1° |
| C10 | C9 | O4 | H9 | 119.3° | 120.0° |
| C10 | C9 | O4 | HO4 | 109.0° | 60.0° |
| H10 | C10 | C11 | C35 | 53.1° | 55.0° |
| H10 | C10 | C11 | O3 | 174.3° | 175.0° |
| H10 | C10 | C11 | H11 | 66.0° | 65.0° |
| H10 | C10 | C9 | O4 | 80.1° | 175.0° |
| H10 | C10 | C9 | H9 | 160.3° | 65.0° |
| H10A | C10 | C11 | C35 | 67.6° | 65.0° |
| H10A | C10 | C11 | O3 | 53.6° | 55.0° |
| H10A | C10 | C11 | H11 | 173.3° | 175.0° |
| H10A | C10 | C9 | O4 | 40.5° | 55.0° |
| H10A | C10 | C9 | H9 | 79.0° | 175.0° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
| C30 | C15 | C18 | H15 | 180.0° | 179.6° |
| C15 | C30 | C24 | C21 | 0.1° | 0.1° |
| C15 | C30 | C24 | F1 | 179.4° | 179.9° |
| C15 | C30 | C24 | H24 | 179.9° | 179.7° |
| C30 | C15 | C18 | C27 | 0.7° | 0.4° |
| C30 | C15 | C18 | H18 | 179.3° | 179.7° |
| C15 | C18 | C27 | C21 | 1.5° | 0.1° |
| C18 | C15 | C30 | C24 | 0.2° | 0.4° |
| C15 | C18 | C27 | H18 | 180.0° | 179.9° |
| C18 | C15 | C30 | F1 | 179.6° | 179.7° |
| H15 | C15 | C30 | C24 | 179.8° | 180.0° |
| H15 | C15 | C18 | C27 | 179.4° | 180.0° |
| H15 | C15 | C30 | F1 | 0.4° | 0.1° |
| H15 | C15 | C18 | H18 | 0.6° | 0.1° |
| C20 | C17 | C32 | H17 | 180.0° | 179.7° |
| C17 | C20 | C29 | H20 | 180.0° | 179.9° |
| C20 | C17 | C32 | C26 | 0.8° | 0.2° |
| C20 | C17 | C32 | N2 | 179.9° | 179.7° |
| C17 | C20 | C29 | C23 | 0.1° | 0.2° |
| C17 | C20 | C29 | H29 | 179.9° | 180.0° |
| C32 | C17 | C20 | C29 | 0.3° | 0.1° |
| C32 | C17 | C20 | H20 | 179.7° | 179.9° |
| C17 | C32 | C26 | N2 | 179.1° | 179.9° |
| C17 | C32 | C26 | C23 | 1.0° | 0.5° |
| C17 | C32 | C26 | O2 | 179.3° | 180.0° |
| C17 | C32 | N2 | C3 | 42.0° | 28.1° |
| C17 | C32 | N2 | HN2 | 138.0° | 151.9° |
| H17 | C17 | C20 | C29 | 179.7° | 179.8° |
| H17 | C17 | C20 | H20 | 0.3° | 0.4° |
| H17 | C17 | C32 | C26 | 179.2° | 179.9° |
| H17 | C17 | C32 | N2 | 0.1° | 0.0° |
| C20 | C29 | C23 | C26 | 0.0° | 0.4° |
| C20 | C29 | C23 | H29 | 180.0° | 179.9° |
| C20 | C29 | C23 | H23 | 180.0° | 179.7° |
| H20 | C20 | C29 | C23 | 179.9° | 180.0° |
| H20 | C20 | C29 | H29 | 0.1° | 0.1° |
| C24 | C21 | C27 | H21 | 180.0° | 179.8° |
| C21 | C24 | C30 | H24 | 180.0° | 179.7° |
| C24 | C21 | C27 | C18 | 1.6° | 0.2° |
| C21 | C24 | C30 | F1 | 179.5° | 180.0° |
| C27 | C21 | C24 | C30 | 0.8° | 0.2° |
| C27 | C21 | C24 | H24 | 179.2° | 180.0° |
| C21 | C27 | C18 | H18 | 178.5° | 180.0° |
| H21 | C21 | C24 | C30 | 179.2° | 180.0° |
| H21 | C21 | C24 | H24 | 0.8° | 0.2° |
| H21 | C21 | C27 | C18 | 178.4° | 180.0° |
| C25 | C22 | C28 | H22 | 180.0° | 179.7° |
| C25 | C22 | C28 | C19 | 0.6° | 0.0° |
| C25 | C22 | C28 | H28 | 179.4° | 180.0° |
| C22 | C25 | C31 | C1 | 178.4° | 180.0° |
| C22 | C25 | C31 | H25 | 180.0° | 180.0° |
| C22 | C25 | C31 | C16 | 1.0° | 0.0° |
| C22 | C28 | C19 | H28 | 180.0° | 180.0° |
| C28 | C22 | C25 | C31 | 0.0° | 0.0° |
| C28 | C22 | C25 | H25 | 180.0° | 180.0° |
| C22 | C28 | C19 | C16 | 0.1° | 0.0° |
| C22 | C28 | C19 | H19 | 179.9° | 180.0° |
| H22 | C22 | C28 | C19 | 179.4° | 179.7° |
| H22 | C22 | C28 | H28 | 0.6° | 0.3° |
| H22 | C22 | C25 | C31 | 180.0° | 179.7° |
| H22 | C22 | C25 | H25 | 0.0° | 0.3° |
| H24 | C24 | C30 | F1 | 0.5° | 0.2° |
| C32 | C26 | C23 | O2 | 179.8° | 179.5° |
| C26 | C32 | N2 | C3 | 138.9° | 151.8° |
| C26 | C32 | N2 | HN2 | 41.1° | 28.2° |
| C32 | C26 | O2 | HO2 | 23.9° | 90.0° |
| C32 | C26 | C23 | C29 | 0.6° | 0.5° |
| C32 | C26 | C23 | H23 | 179.4° | 179.5° |
| C23 | C26 | C32 | N2 | 179.9° | 179.4° |
| C23 | C26 | O2 | HO2 | 156.3° | 90.5° |
| C26 | C23 | C29 | H23 | 180.0° | 179.9° |
| C26 | C23 | C29 | H29 | 180.0° | 179.7° |
| O2 | C26 | C32 | N2 | 0.1° | 0.1° |
| O2 | C26 | C23 | C29 | 179.7° | 179.9° |
| O2 | C26 | C23 | H23 | 0.4° | 0.0° |
| C28 | C19 | C16 | C31 | 1.0° | 0.0° |
| C28 | C19 | C16 | H19 | 180.0° | 180.0° |
| C28 | C19 | C16 | H16 | 179.0° | 180.0° |
| H28 | C28 | C19 | C16 | 179.9° | 180.0° |
| H28 | C28 | C19 | H19 | 0.1° | 0.0° |
| O7 | C36 | O6 | C35 | 178.8° | 180.0° |
| O7 | C36 | O6 | HO6 | 0.0° | 0.0° |
| O7 | C36 | C35 | C11 | 73.6° | 0.0° |
| O7 | C36 | C35 | H35 | 46.4° | 120.0° |
| O7 | C36 | C35 | H35A | 167.2° | 120.0° |
| O6 | C36 | C35 | C11 | 105.2° | 180.0° |
| O6 | C36 | C35 | H35 | 134.8° | 60.0° |
| O6 | C36 | C35 | H35A | 14.0° | 60.0° |
| C35 | C36 | O6 | HO6 | 178.8° | 180.0° |
| C36 | C35 | C11 | H35 | 120.0° | 120.1° |
| C36 | C35 | C11 | H35A | 119.2° | 120.0° |
| C36 | C35 | H35 | H35A | 119.3° | 120.0° |
| C36 | C35 | C11 | O3 | 74.7° | 65.0° |
| C36 | C35 | C11 | H11 | 45.0° | 55.0° |
| C11 | C35 | H35 | H35A | 119.3° | 119.9° |
| C35 | C11 | O3 | H11 | 119.1° | 120.0° |
| C35 | C11 | O3 | HO3 | 34.3° | 60.0° |
| H35 | C35 | C11 | O3 | 165.3° | 175.0° |
| H35 | C35 | C11 | H11 | 75.0° | 65.0° |
| H35A | C35 | C11 | O3 | 44.5° | 55.0° |
| H35A | C35 | C11 | H11 | 164.2° | 175.0° |
| H11 | C11 | O3 | HO3 | 84.7° | 180.0° |
| H9 | C9 | O4 | HO4 | 10.3° | 180.0° |
| C12 | C2 | C3 | C1 | 174.9° | 179.8° |
| C12 | C2 | C1 | C31 | 178.0° | 180.0° |
| C12 | C2 | C3 | O1 | 72.6° | 90.0° |
| C12 | C2 | C3 | N2 | 112.5° | 90.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| C3 | C2 | C1 | C31 | 6.4° | 0.2° |
| C2 | C3 | O1 | N2 | 174.8° | 180.0° |
| C2 | C3 | N2 | C32 | 173.9° | 175.4° |
| C2 | C3 | N2 | HN2 | 6.1° | 4.6° |
| C2 | C1 | C31 | C25 | 129.6° | 114.6° |
| C2 | C1 | C31 | C16 | 53.0° | 65.4° |
| C1 | C2 | C3 | O1 | 102.2° | 89.8° |
| C1 | C2 | C3 | N2 | 72.6° | 90.2° |
| C1 | C31 | C25 | C16 | 177.4° | 180.0° |
| C1 | C31 | C25 | H25 | 1.5° | 0.0° |
| C1 | C31 | C16 | C19 | 179.0° | 180.0° |
| C1 | C31 | C16 | H16 | 1.0° | 0.1° |
| C25 | C31 | C16 | C19 | 1.5° | 0.0° |
| C25 | C31 | C16 | H16 | 178.5° | 179.9° |
| C16 | C31 | C25 | H25 | 178.9° | 180.0° |
| C31 | C16 | C19 | H16 | 180.0° | 179.9° |
| C31 | C16 | C19 | H19 | 179.0° | 180.0° |
| H19 | C19 | C16 | H16 | 1.0° | 0.1° |
| O1 | C3 | N2 | C32 | 11.6° | 4.6° |
| O1 | C3 | N2 | HN2 | 168.3° | 175.4° |
| C3 | N2 | C32 | HN2 | 180.0° | 180.0° |
| H23 | C23 | C29 | H29 | 0.0° | 0.2° |
