4IE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C3 | sing | 1.54Å | 1.54Å | |
| C8 | C7 | sing | 1.55Å | 1.56Å | |
| C4 | C3 | sing | 1.54Å | 1.52Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | sing | 1.54Å | 1.56Å | |
| C11 | N1 | sing | 1.47Å | 1.50Å | |
| C10 | N1 | sing | 1.47Å | 1.50Å | |
| C5 | C6 | doub | 1.31Å | 1.32Å | |
| C7 | C6 | sing | 1.54Å | 1.52Å | |
| C7 | C2 | sing | 1.54Å | 1.57Å | |
| N1 | C9 | sing | 1.47Å | 1.53Å | |
| N1 | C12 | sing | 1.47Å | 1.53Å | |
| C6 | C9 | sing | 1.51Å | 1.51Å | |
| C2 | C25 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C18 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| BR1 | C24 | sing | 1.89Å | 1.90Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C19 | sing | 1.48Å | 1.49Å | |
| C24 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.08Å | 1.08Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C8 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C8 | C7 | 85.9° | 85.3° |
| C8 | C3 | C4 | 108.8° | 113.6° |
| C8 | C3 | C2 | 87.0° | 85.7° |
| C8 | C3 | H23 | 115.1° | 114.9° |
| C3 | C8 | H28 | 115.0° | 113.9° |
| C3 | C8 | H29 | 115.0° | 113.9° |
| C8 | C7 | C6 | 106.6° | 108.7° |
| C8 | C7 | C2 | 86.2° | 85.3° |
| C8 | C7 | H27 | 115.9° | 117.4° |
| C7 | C8 | H28 | 115.0° | 113.9° |
| C7 | C8 | H29 | 115.0° | 114.0° |
| C3 | C4 | C5 | 110.7° | 109.7° |
| C4 | C3 | C2 | 112.0° | 110.8° |
| C4 | C3 | H23 | 115.5° | 113.8° |
| C3 | C4 | H24 | 109.2° | 109.4° |
| C3 | C4 | H25 | 109.1° | 109.4° |
| C4 | C5 | C6 | 119.8° | 119.6° |
| C5 | C4 | H24 | 109.2° | 109.5° |
| C5 | C4 | H25 | 109.2° | 109.4° |
| C4 | C5 | H26 | 120.1° | 120.2° |
| C3 | C2 | C7 | 84.7° | 85.6° |
| C3 | C2 | C25 | 113.3° | 113.8° |
| C3 | C2 | C1 | 118.4° | 113.9° |
| C2 | C3 | H23 | 114.9° | 115.0° |
| C11 | N1 | C10 | 108.4° | 109.4° |
| C11 | N1 | C9 | 111.1° | 109.5° |
| C11 | N1 | C12 | 109.9° | 109.5° |
| N1 | C11 | H7 | 109.5° | 109.5° |
| N1 | C11 | H8 | 109.5° | 109.4° |
| N1 | C11 | H9 | 109.5° | 109.5° |
| C10 | N1 | C9 | 110.0° | 109.5° |
| C10 | N1 | C12 | 108.6° | 109.4° |
| N1 | C10 | H4 | 109.5° | 109.4° |
| N1 | C10 | H5 | 109.5° | 109.4° |
| N1 | C10 | H6 | 109.5° | 109.5° |
| C5 | C6 | C7 | 116.6° | 117.6° |
| C5 | C6 | C9 | 124.3° | 121.3° |
| C6 | C5 | H26 | 120.0° | 120.1° |
| C6 | C7 | C2 | 112.0° | 110.1° |
| C7 | C6 | C9 | 119.1° | 121.1° |
| C6 | C7 | H27 | 116.6° | 114.9° |
| C7 | C2 | C25 | 113.3° | 113.9° |
| C7 | C2 | C1 | 118.5° | 113.9° |
| C2 | C7 | H27 | 115.6° | 116.7° |
| C9 | N1 | C12 | 108.8° | 109.5° |
| N1 | C9 | C6 | 115.5° | 109.5° |
| N1 | C9 | H30 | 107.9° | 109.4° |
| N1 | C9 | H31 | 107.9° | 109.4° |
| N1 | C12 | C13 | 117.9° | 109.5° |
| N1 | C12 | H10 | 107.3° | 109.5° |
| N1 | C12 | H11 | 107.4° | 109.5° |
| C6 | C9 | H30 | 108.0° | 109.5° |
| C6 | C9 | H31 | 107.9° | 109.5° |
| C25 | C2 | C1 | 107.6° | 113.1° |
| C2 | C25 | H20 | 109.5° | 109.5° |
| C2 | C25 | H21 | 109.5° | 109.6° |
| C2 | C25 | H22 | 109.5° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C12 | C13 | C18 | 121.1° | 119.9° |
| C12 | C13 | C14 | 121.1° | 119.9° |
| C13 | C12 | H10 | 107.3° | 109.5° |
| C13 | C12 | H11 | 107.3° | 109.4° |
| C13 | C18 | C17 | 121.1° | 120.1° |
| C18 | C13 | C14 | 117.7° | 120.3° |
| C13 | C18 | H15 | 119.5° | 119.9° |
| C18 | C17 | C16 | 121.7° | 119.9° |
| C18 | C17 | H14 | 119.2° | 120.0° |
| C17 | C18 | H15 | 119.5° | 120.0° |
| C13 | C14 | C15 | 121.1° | 120.1° |
| C13 | C14 | H12 | 119.4° | 120.0° |
| C17 | C16 | C15 | 116.6° | 119.8° |
| C17 | C16 | C19 | 124.1° | 120.1° |
| C16 | C17 | H14 | 119.1° | 120.1° |
| BR1 | C24 | C19 | 123.4° | 120.1° |
| BR1 | C24 | C23 | 115.4° | 120.1° |
| C14 | C15 | C16 | 121.7° | 119.9° |
| C15 | C14 | H12 | 119.4° | 119.9° |
| C14 | C15 | H13 | 119.1° | 120.0° |
| C15 | C16 | C19 | 119.3° | 120.1° |
| C16 | C15 | H13 | 119.2° | 120.1° |
| C16 | C19 | C24 | 125.2° | 120.1° |
| C16 | C19 | C20 | 117.5° | 120.1° |
| C19 | C24 | C23 | 121.2° | 119.8° |
| C24 | C19 | C20 | 117.3° | 119.8° |
| C24 | C23 | C22 | 120.0° | 120.1° |
| C24 | C23 | H19 | 120.0° | 119.9° |
| C19 | C20 | C21 | 121.1° | 119.9° |
| C19 | C20 | H16 | 119.4° | 120.1° |
| C23 | C22 | C21 | 120.1° | 120.2° |
| C23 | C22 | H18 | 119.9° | 119.9° |
| C22 | C23 | H19 | 120.0° | 119.9° |
| C20 | C21 | C22 | 120.2° | 120.1° |
| C21 | C20 | H16 | 119.4° | 120.1° |
| C20 | C21 | H17 | 119.9° | 119.9° |
| C22 | C21 | H17 | 119.9° | 119.9° |
| C21 | C22 | H18 | 119.9° | 119.8° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C10 | H5 | 109.5° | 109.4° |
| H4 | C10 | H6 | 109.4° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.4° |
| H7 | C11 | H9 | 109.4° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.4° | 109.5° |
| H20 | C25 | H22 | 109.5° | 109.4° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H24 | C4 | H25 | 109.5° | 109.4° |
| H28 | C8 | H29 | 109.5° | 113.1° |
| H30 | C9 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C8 | C7 | H28 | 115.7° | 114.0° |
| C3 | C8 | C7 | H29 | 115.7° | 114.1° |
| C8 | C3 | C4 | C2 | 94.5° | 94.5° |
| C8 | C3 | C4 | H23 | 131.3° | 134.1° |
| C8 | C3 | C4 | C5 | 44.5° | 44.0° |
| C8 | C3 | C2 | H23 | 116.4° | 115.5° |
| C3 | C8 | C7 | C6 | 81.9° | 78.4° |
| C3 | C8 | C7 | C2 | 29.9° | 31.3° |
| C8 | C3 | C2 | C25 | 83.3° | 82.6° |
| C8 | C3 | C2 | C1 | 149.4° | 145.8° |
| C8 | C3 | C4 | H24 | 75.7° | 76.1° |
| C8 | C3 | C4 | H25 | 164.7° | 164.1° |
| C3 | C8 | C7 | H27 | 146.5° | 149.1° |
| C3 | C8 | H28 | H29 | 131.3° | 132.2° |
| C7 | C8 | C3 | C4 | 82.2° | 79.6° |
| C8 | C7 | C6 | C5 | 46.1° | 47.5° |
| C8 | C7 | C6 | C2 | 92.6° | 91.9° |
| C8 | C7 | C6 | H27 | 131.2° | 133.8° |
| C8 | C7 | C2 | H27 | 116.9° | 118.4° |
| C8 | C7 | C6 | C9 | 134.6° | 132.3° |
| C8 | C7 | C2 | C25 | 83.6° | 82.9° |
| C8 | C7 | C2 | C1 | 149.0° | 145.5° |
| C7 | C8 | C3 | H23 | 146.2° | 146.9° |
| C7 | C8 | H28 | H29 | 131.3° | 132.2° |
| C3 | C4 | C5 | H24 | 120.2° | 120.1° |
| C3 | C4 | C5 | H25 | 120.2° | 120.1° |
| C4 | C3 | C2 | H23 | 134.5° | 130.8° |
| C3 | C4 | C5 | C6 | 3.8° | 3.1° |
| C4 | C3 | C2 | C7 | 79.4° | 82.1° |
| C4 | C3 | C2 | C25 | 167.6° | 163.7° |
| C4 | C3 | C2 | C1 | 40.3° | 32.1° |
| C3 | C4 | H24 | H25 | 119.4° | 119.9° |
| C3 | C4 | C5 | H26 | 176.2° | 176.8° |
| C4 | C3 | C8 | H28 | 162.1° | 166.4° |
| C4 | C3 | C8 | H29 | 33.5° | 34.6° |
| C5 | C4 | C3 | C2 | 50.0° | 50.5° |
| C4 | C5 | C6 | H26 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 2.5° | 0.6° |
| C4 | C5 | C6 | C9 | 176.7° | 179.7° |
| C5 | C4 | C3 | H23 | 175.9° | 178.0° |
| C5 | C4 | H24 | H25 | 119.4° | 119.9° |
| C3 | C2 | C7 | C6 | 76.9° | 77.0° |
| C3 | C2 | C7 | C25 | 113.1° | 114.1° |
| C3 | C2 | C7 | C1 | 119.5° | 114.2° |
| C3 | C2 | C25 | C1 | 132.8° | 132.0° |
| C3 | C2 | C1 | H1 | 180.0° | 163.6° |
| C3 | C2 | C1 | H2 | 60.0° | 43.6° |
| C3 | C2 | C1 | H3 | 60.0° | 76.3° |
| C3 | C2 | C25 | H20 | 180.0° | 81.7° |
| C3 | C2 | C25 | H21 | 60.0° | 38.3° |
| C3 | C2 | C25 | H22 | 60.0° | 158.3° |
| C2 | C3 | C4 | H24 | 170.2° | 170.6° |
| C2 | C3 | C4 | H25 | 70.2° | 69.5° |
| C3 | C2 | C7 | H27 | 146.5° | 149.7° |
| C2 | C3 | C8 | H28 | 85.6° | 82.8° |
| C2 | C3 | C8 | H29 | 145.8° | 145.4° |
| C11 | N1 | C10 | C9 | 121.7° | 120.0° |
| C11 | N1 | C10 | C12 | 119.4° | 120.0° |
| C11 | N1 | C9 | C12 | 121.1° | 120.0° |
| C11 | N1 | C9 | C6 | 53.7° | 64.1° |
| C11 | N1 | C12 | C13 | 62.1° | 60.0° |
| C11 | N1 | C10 | H4 | 180.0° | 61.3° |
| C11 | N1 | C10 | H5 | 60.0° | 178.7° |
| C11 | N1 | C10 | H6 | 60.0° | 58.7° |
| N1 | C11 | H7 | H8 | 120.0° | 120.0° |
| N1 | C11 | H7 | H9 | 120.0° | 120.0° |
| N1 | C11 | H8 | H9 | 120.0° | 120.0° |
| C11 | N1 | C12 | H10 | 59.1° | 60.0° |
| C11 | N1 | C12 | H11 | 176.7° | 180.0° |
| C11 | N1 | C9 | H30 | 67.2° | 175.9° |
| C11 | N1 | C9 | H31 | 174.6° | 55.9° |
| C10 | N1 | C9 | C12 | 118.8° | 120.0° |
| C10 | N1 | C9 | C6 | 66.3° | 55.9° |
| C10 | N1 | C12 | C13 | 179.5° | 60.0° |
| N1 | C10 | H4 | H5 | 120.0° | 119.9° |
| N1 | C10 | H4 | H6 | 120.0° | 120.0° |
| N1 | C10 | H5 | H6 | 120.0° | 120.0° |
| C10 | N1 | C11 | H7 | 180.0° | 60.0° |
| C10 | N1 | C11 | H8 | 60.0° | 180.0° |
| C10 | N1 | C11 | H9 | 60.0° | 60.0° |
| C10 | N1 | C12 | H10 | 59.3° | 180.0° |
| C10 | N1 | C12 | H11 | 58.3° | 60.0° |
| C10 | N1 | C9 | H30 | 172.8° | 64.1° |
| C10 | N1 | C9 | H31 | 54.5° | 175.9° |
| C5 | C6 | C7 | C9 | 179.3° | 179.7° |
| C5 | C6 | C7 | C2 | 46.6° | 44.4° |
| C5 | C6 | C9 | N1 | 77.0° | 94.7° |
| C6 | C5 | C4 | H24 | 124.0° | 123.2° |
| C6 | C5 | C4 | H25 | 116.4° | 116.9° |
| C5 | C6 | C7 | H27 | 177.2° | 178.7° |
| C5 | C6 | C9 | H30 | 162.2° | 25.3° |
| C5 | C6 | C9 | H31 | 43.9° | 145.3° |
| C6 | C7 | C2 | H27 | 136.7° | 133.4° |
| C7 | C6 | C9 | N1 | 103.8° | 85.0° |
| C6 | C7 | C2 | C25 | 170.0° | 168.9° |
| C6 | C7 | C2 | C1 | 42.6° | 37.3° |
| C7 | C6 | C5 | H26 | 177.5° | 179.3° |
| C6 | C7 | C8 | H28 | 162.4° | 167.6° |
| C6 | C7 | C8 | H29 | 33.8° | 35.8° |
| C7 | C6 | C9 | H30 | 17.0° | 155.0° |
| C7 | C6 | C9 | H31 | 135.3° | 35.0° |
| C2 | C7 | C6 | C9 | 132.7° | 135.8° |
| C7 | C2 | C25 | C1 | 132.9° | 132.1° |
| C7 | C2 | C1 | H1 | 80.0° | 67.6° |
| C7 | C2 | C1 | H2 | 40.0° | 52.4° |
| C7 | C2 | C1 | H3 | 160.0° | 172.3° |
| C7 | C2 | C25 | H20 | 85.7° | 177.6° |
| C7 | C2 | C25 | H21 | 154.4° | 57.6° |
| C7 | C2 | C25 | H22 | 34.3° | 62.4° |
| C7 | C2 | C3 | H23 | 146.2° | 147.1° |
| C2 | C7 | C8 | H28 | 85.8° | 82.7° |
| C2 | C7 | C8 | H29 | 145.6° | 145.5° |
| N1 | C9 | C6 | H30 | 120.9° | 120.0° |
| N1 | C9 | C6 | H31 | 120.9° | 120.0° |
| C9 | N1 | C12 | C13 | 59.8° | 180.0° |
| C9 | N1 | C10 | H4 | 58.3° | 58.7° |
| C9 | N1 | C10 | H5 | 178.4° | 61.3° |
| C9 | N1 | C10 | H6 | 61.7° | 178.7° |
| C9 | N1 | C11 | H7 | 59.0° | 180.0° |
| C9 | N1 | C11 | H8 | 61.0° | 60.0° |
| C9 | N1 | C11 | H9 | 179.0° | 60.0° |
| C9 | N1 | C12 | H10 | 179.0° | 60.0° |
| C9 | N1 | C12 | H11 | 61.4° | 60.0° |
| N1 | C9 | H30 | H31 | 117.3° | 119.9° |
| C12 | N1 | C9 | C6 | 174.8° | 175.9° |
| N1 | C12 | C13 | H10 | 121.2° | 120.0° |
| N1 | C12 | C13 | H11 | 121.2° | 120.0° |
| N1 | C12 | C13 | C18 | 98.9° | 90.2° |
| N1 | C12 | C13 | C14 | 84.4° | 90.0° |
| C12 | N1 | C10 | H4 | 60.7° | 178.7° |
| C12 | N1 | C10 | H5 | 59.4° | 58.8° |
| C12 | N1 | C10 | H6 | 179.3° | 61.3° |
| C12 | N1 | C11 | H7 | 61.5° | 60.0° |
| C12 | N1 | C11 | H8 | 178.5° | 60.0° |
| C12 | N1 | C11 | H9 | 58.5° | 180.0° |
| N1 | C12 | H10 | H11 | 116.2° | 120.0° |
| C12 | N1 | C9 | H30 | 54.0° | 55.9° |
| C12 | N1 | C9 | H31 | 64.3° | 64.1° |
| C9 | C6 | C5 | H26 | 3.3° | 0.4° |
| C9 | C6 | C7 | H27 | 3.5° | 1.5° |
| C6 | C9 | H30 | H31 | 117.3° | 120.1° |
| C25 | C2 | C1 | H1 | 50.0° | 64.4° |
| C25 | C2 | C1 | H2 | 170.0° | 175.6° |
| C25 | C2 | C1 | H3 | 70.0° | 55.6° |
| C2 | C25 | H20 | H21 | 120.0° | 120.1° |
| C2 | C25 | H20 | H22 | 120.0° | 120.0° |
| C2 | C25 | H21 | H22 | 120.0° | 120.0° |
| C25 | C2 | C3 | H23 | 33.1° | 32.9° |
| C25 | C2 | C7 | H27 | 33.3° | 35.5° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C25 | H20 | 47.2° | 50.3° |
| C1 | C2 | C25 | H21 | 72.7° | 170.3° |
| C1 | C2 | C25 | H22 | 167.3° | 69.6° |
| C1 | C2 | C3 | H23 | 94.2° | 98.7° |
| C1 | C2 | C7 | H27 | 94.1° | 96.1° |
| C12 | C13 | C18 | C14 | 176.7° | 179.8° |
| C12 | C13 | C18 | C17 | 178.6° | 179.7° |
| C12 | C13 | C14 | C15 | 178.8° | 180.0° |
| C13 | C12 | H10 | H11 | 116.2° | 119.9° |
| C12 | C13 | C14 | H12 | 1.2° | 0.0° |
| C12 | C13 | C18 | H15 | 1.4° | 0.1° |
| C13 | C18 | C17 | H15 | 180.0° | 179.7° |
| C13 | C18 | C17 | C16 | 0.8° | 0.6° |
| C18 | C13 | C14 | C15 | 2.0° | 0.2° |
| C18 | C13 | C12 | H10 | 22.3° | 29.8° |
| C18 | C13 | C12 | H11 | 139.9° | 149.7° |
| C18 | C13 | C14 | H12 | 178.0° | 179.8° |
| C13 | C18 | C17 | H14 | 179.1° | 179.7° |
| C17 | C18 | C13 | C14 | 1.9° | 0.5° |
| C18 | C17 | C16 | H14 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 0.2° | 0.3° |
| C18 | C17 | C16 | C19 | 179.4° | 179.7° |
| C13 | C14 | C15 | H12 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.1° | 0.0° |
| C14 | C13 | C12 | H10 | 154.4° | 150.0° |
| C14 | C13 | C12 | H11 | 36.8° | 30.1° |
| C13 | C14 | C15 | H13 | 178.9° | 180.0° |
| C14 | C13 | C18 | H15 | 178.1° | 179.7° |
| C17 | C16 | C15 | C14 | 0.0° | 0.0° |
| C17 | C16 | C15 | C19 | 179.2° | 180.0° |
| C17 | C16 | C19 | C24 | 1.8° | 129.7° |
| C17 | C16 | C19 | C20 | 179.8° | 50.1° |
| C17 | C16 | C15 | H13 | 180.0° | 180.0° |
| C16 | C17 | C18 | H15 | 179.2° | 179.7° |
| BR1 | C24 | C19 | C16 | 1.2° | 0.0° |
| BR1 | C24 | C19 | C23 | 179.6° | 179.7° |
| BR1 | C24 | C19 | C20 | 179.6° | 179.7° |
| BR1 | C24 | C23 | C22 | 180.0° | 179.7° |
| BR1 | C24 | C23 | H19 | 0.0° | 0.1° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C14 | C15 | C16 | C19 | 179.3° | 180.0° |
| C15 | C16 | C19 | C24 | 177.4° | 50.3° |
| C15 | C16 | C19 | C20 | 1.0° | 130.0° |
| C16 | C15 | C14 | H12 | 178.9° | 180.0° |
| C15 | C16 | C17 | H14 | 179.9° | 180.0° |
| C16 | C19 | C24 | C20 | 178.4° | 179.7° |
| C16 | C19 | C24 | C23 | 179.2° | 179.7° |
| C16 | C19 | C20 | C21 | 179.4° | 180.0° |
| C19 | C16 | C15 | H13 | 0.7° | 0.0° |
| C19 | C16 | C17 | H14 | 0.7° | 0.0° |
| C16 | C19 | C20 | H16 | 0.6° | 0.0° |
| C19 | C24 | C23 | C22 | 0.4° | 0.6° |
| C24 | C19 | C20 | C21 | 0.9° | 0.3° |
| C24 | C19 | C20 | H16 | 179.1° | 179.7° |
| C19 | C24 | C23 | H19 | 179.6° | 179.6° |
| C23 | C24 | C19 | C20 | 0.8° | 0.6° |
| C24 | C23 | C22 | H19 | 180.0° | 179.7° |
| C24 | C23 | C22 | C21 | 0.0° | 0.4° |
| C24 | C23 | C22 | H18 | 180.0° | 179.7° |
| C19 | C20 | C21 | H16 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.5° | 0.0° |
| C19 | C20 | C21 | H17 | 179.5° | 180.0° |
| C23 | C22 | C21 | C20 | 0.0° | 0.0° |
| C23 | C22 | C21 | H18 | 180.0° | 180.0° |
| C23 | C22 | C21 | H17 | 180.0° | 180.0° |
| C20 | C21 | C22 | H17 | 180.0° | 180.0° |
| C20 | C21 | C22 | H18 | 179.9° | 180.0° |
| C22 | C21 | C20 | H16 | 179.5° | 180.0° |
| C21 | C22 | C23 | H19 | 180.0° | 179.9° |
| H1 | C1 | H2 | H3 | 119.9° | 120.0° |
| H4 | C10 | H5 | H6 | 120.0° | 120.0° |
| H7 | C11 | H8 | H9 | 119.9° | 120.0° |
| H12 | C14 | C15 | H13 | 1.1° | 0.0° |
| H14 | C17 | C18 | H15 | 0.8° | 0.0° |
| H16 | C20 | C21 | H17 | 0.5° | 0.0° |
| H17 | C21 | C22 | H18 | 0.1° | 0.0° |
| H18 | C22 | C23 | H19 | 0.0° | 0.1° |
| H20 | C25 | H21 | H22 | 120.0° | 119.9° |
| H23 | C3 | C4 | H24 | 55.7° | 57.9° |
| H23 | C3 | C4 | H25 | 63.9° | 61.9° |
| H23 | C3 | C8 | H28 | 30.5° | 32.8° |
| H23 | C3 | C8 | H29 | 98.1° | 99.0° |
| H24 | C4 | C5 | H26 | 56.0° | 56.7° |
| H25 | C4 | C5 | H26 | 63.6° | 63.1° |
| H27 | C7 | C8 | H28 | 30.8° | 35.1° |
| H27 | C7 | C8 | H29 | 97.8° | 96.7° |
