8IF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | O5 | sing | 1.45Å | 1.42Å | |
| O5 | C19 | sing | 1.35Å | 1.33Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C19 | C2 | sing | 1.47Å | 1.35Å | |
| C19 | C4 | doub | 1.40Å | 1.42Å | |
| C1 | C2 | doub | 1.34Å | 1.47Å | |
| O3 | C5 | doub | 1.21Å | 1.26Å | |
| C2 | O1 | sing | 1.36Å | 1.39Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.41Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.47Å | 1.47Å | |
| O1 | C3 | sing | 1.34Å | 1.39Å | |
| C3 | O2 | doub | 1.22Å | 1.20Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.49Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C11 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | doub | 1.33Å | 1.30Å | |
| C12 | C11 | sing | 1.46Å | 1.42Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C11 | O4 | doub | 1.21Å | 1.21Å | |
| C14 | C15 | sing | 1.53Å | 1.47Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | O5 | C19 | 112.2° | 117.0° |
| O5 | C20 | H30 | 109.5° | 109.5° |
| O5 | C20 | H31 | 109.5° | 109.4° |
| O5 | C20 | H32 | 109.5° | 109.4° |
| O5 | C19 | C2 | 119.1° | 127.0° |
| O5 | C19 | C4 | 128.5° | 127.0° |
| C7 | C6 | C5 | 103.6° | 109.5° |
| C7 | C6 | C8 | 108.5° | 109.4° |
| C7 | C6 | H5 | 108.3° | 109.5° |
| C6 | C7 | H6 | 109.5° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C6 | C7 | H8 | 109.4° | 109.5° |
| C2 | C19 | C4 | 112.2° | 106.1° |
| C19 | C2 | C1 | 128.3° | 125.8° |
| C19 | C2 | O1 | 106.1° | 108.5° |
| C19 | C4 | C5 | 132.5° | 126.9° |
| C19 | C4 | C3 | 102.5° | 106.2° |
| C1 | C2 | O1 | 125.6° | 125.7° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C2 | C1 | H2 | 120.0° | 120.0° |
| O3 | C5 | C6 | 117.5° | 120.0° |
| O3 | C5 | C4 | 130.1° | 120.0° |
| C2 | O1 | C3 | 109.5° | 110.4° |
| C5 | C6 | C8 | 119.3° | 109.4° |
| C6 | C5 | C4 | 112.2° | 120.0° |
| C5 | C6 | H5 | 108.6° | 109.5° |
| C6 | C8 | C9 | 113.2° | 109.5° |
| C8 | C6 | H5 | 108.2° | 109.5° |
| C6 | C8 | H9 | 108.5° | 109.5° |
| C6 | C8 | H10 | 108.5° | 109.5° |
| C5 | C4 | C3 | 124.9° | 126.9° |
| C8 | C9 | C10 | 114.8° | 109.5° |
| C8 | C9 | C11 | 106.4° | 109.5° |
| C9 | C8 | H9 | 108.5° | 109.4° |
| C9 | C8 | H10 | 108.5° | 109.5° |
| C8 | C9 | H11 | 109.0° | 109.5° |
| C4 | C3 | O1 | 107.1° | 108.8° |
| C4 | C3 | O2 | 132.8° | 125.6° |
| O1 | C3 | O2 | 120.2° | 125.6° |
| C18 | C17 | C16 | 114.0° | 109.5° |
| C18 | C17 | H25 | 108.3° | 109.5° |
| C18 | C17 | H26 | 108.3° | 109.5° |
| C17 | C18 | H27 | 109.5° | 109.5° |
| C17 | C18 | H28 | 109.5° | 109.5° |
| C17 | C18 | H29 | 109.5° | 109.4° |
| C17 | C16 | C15 | 115.0° | 109.5° |
| C17 | C16 | H23 | 108.1° | 109.5° |
| C17 | C16 | H24 | 108.1° | 109.5° |
| C16 | C17 | H25 | 108.3° | 109.5° |
| C16 | C17 | H26 | 108.3° | 109.5° |
| C10 | C9 | C11 | 108.2° | 109.5° |
| C10 | C9 | H11 | 109.0° | 109.5° |
| C9 | C10 | H12 | 109.5° | 109.5° |
| C9 | C10 | H13 | 109.5° | 109.5° |
| C9 | C10 | H14 | 109.4° | 109.4° |
| C9 | C11 | C12 | 115.1° | 120.0° |
| C9 | C11 | O4 | 121.1° | 120.0° |
| C11 | C9 | H11 | 109.4° | 109.4° |
| C13 | C12 | C11 | 119.0° | 120.0° |
| C12 | C13 | C14 | 125.1° | 120.0° |
| C13 | C12 | H15 | 120.5° | 120.0° |
| C12 | C13 | H17 | 117.5° | 120.0° |
| C12 | C11 | O4 | 123.8° | 120.0° |
| C11 | C12 | H15 | 120.5° | 120.0° |
| C16 | C15 | C14 | 116.0° | 109.5° |
| C16 | C15 | H21 | 107.8° | 109.4° |
| C16 | C15 | H22 | 107.8° | 109.5° |
| C15 | C16 | H23 | 108.0° | 109.4° |
| C15 | C16 | H24 | 108.1° | 109.5° |
| C13 | C14 | C15 | 113.2° | 109.5° |
| C14 | C13 | H17 | 117.5° | 120.0° |
| C13 | C14 | H19 | 108.6° | 109.5° |
| C13 | C14 | H20 | 108.5° | 109.5° |
| C15 | C14 | H19 | 108.5° | 109.5° |
| C15 | C14 | H20 | 108.5° | 109.5° |
| C14 | C15 | H21 | 107.8° | 109.5° |
| C14 | C15 | H22 | 107.8° | 109.4° |
| H1 | C1 | H2 | 120.0° | 120.0° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H6 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H9 | C8 | H10 | 109.5° | 109.4° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H12 | C10 | H14 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.4° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H21 | C15 | H22 | 109.4° | 109.5° |
| H23 | C16 | H24 | 109.4° | 109.5° |
| H25 | C17 | H26 | 109.4° | 109.4° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| H27 | C18 | H29 | 109.5° | 109.5° |
| H28 | C18 | H29 | 109.4° | 109.5° |
| H30 | C20 | H31 | 109.5° | 109.5° |
| H30 | C20 | H32 | 109.4° | 109.5° |
| H31 | C20 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | O5 | C19 | C2 | 130.8° | 65.3° |
| C20 | O5 | C19 | C4 | 44.2° | 114.6° |
| O5 | C20 | H30 | H31 | 120.0° | 120.0° |
| O5 | C20 | H30 | H32 | 120.0° | 120.0° |
| O5 | C20 | H31 | H32 | 120.0° | 119.9° |
| O5 | C19 | C2 | C4 | 175.8° | 179.9° |
| O5 | C19 | C2 | C1 | 16.4° | 0.1° |
| O5 | C19 | C2 | O1 | 159.8° | 179.7° |
| O5 | C19 | C4 | C5 | 10.8° | 0.2° |
| O5 | C19 | C4 | C3 | 165.8° | 179.8° |
| C19 | O5 | C20 | H30 | 180.0° | 54.9° |
| C19 | O5 | C20 | H31 | 60.0° | 65.1° |
| C19 | O5 | C20 | H32 | 60.0° | 175.0° |
| C7 | C6 | C5 | O3 | 108.4° | 95.0° |
| C7 | C6 | C5 | C8 | 120.7° | 119.9° |
| C7 | C6 | C5 | H5 | 114.9° | 120.1° |
| C7 | C6 | C8 | H5 | 117.2° | 120.0° |
| C7 | C6 | C5 | C4 | 67.6° | 85.0° |
| C7 | C6 | C8 | C9 | 140.9° | 65.9° |
| C6 | C7 | H6 | H7 | 120.0° | 120.0° |
| C6 | C7 | H6 | H8 | 120.0° | 120.1° |
| C6 | C7 | H7 | H8 | 120.0° | 120.1° |
| C7 | C6 | C8 | H9 | 98.5° | 174.2° |
| C7 | C6 | C8 | H10 | 20.4° | 54.2° |
| C19 | C2 | C1 | O1 | 175.5° | 179.8° |
| C2 | C19 | C4 | C5 | 173.9° | 179.9° |
| C2 | C19 | C4 | C3 | 9.5° | 0.1° |
| C19 | C2 | O1 | C3 | 16.1° | 0.2° |
| C19 | C2 | C1 | H1 | 175.6° | 179.7° |
| C19 | C2 | C1 | H2 | 4.5° | 0.4° |
| C4 | C19 | C2 | C1 | 167.8° | 180.0° |
| C19 | C4 | C5 | O3 | 37.9° | 5.0° |
| C4 | C19 | C2 | O1 | 16.0° | 0.2° |
| C19 | C4 | C5 | C6 | 137.4° | 175.0° |
| C19 | C4 | C5 | C3 | 176.0° | 180.0° |
| C19 | C4 | C3 | O1 | 0.7° | 0.0° |
| C19 | C4 | C3 | O2 | 179.7° | 179.9° |
| C1 | C2 | O1 | C3 | 167.6° | 180.0° |
| C2 | C1 | H1 | H2 | 180.0° | 179.8° |
| O3 | C5 | C6 | C4 | 176.0° | 180.0° |
| O3 | C5 | C6 | C8 | 12.3° | 25.0° |
| O3 | C5 | C4 | C3 | 146.1° | 175.0° |
| O3 | C5 | C6 | H5 | 136.7° | 145.0° |
| C2 | O1 | C3 | C4 | 10.3° | 0.1° |
| C2 | O1 | C3 | O2 | 170.1° | 179.9° |
| O1 | C2 | C1 | H1 | 0.0° | 0.0° |
| O1 | C2 | C1 | H2 | 180.0° | 179.8° |
| C5 | C6 | C8 | H5 | 124.6° | 120.0° |
| C5 | C6 | C8 | C9 | 101.0° | 174.1° |
| C6 | C5 | C4 | C3 | 38.5° | 5.0° |
| C5 | C6 | C7 | H6 | 180.0° | 55.3° |
| C5 | C6 | C7 | H7 | 60.0° | 64.7° |
| C5 | C6 | C7 | H8 | 60.0° | 175.3° |
| C5 | C6 | C8 | H9 | 19.6° | 54.2° |
| C5 | C6 | C8 | H10 | 138.5° | 65.8° |
| C8 | C6 | C5 | C4 | 171.7° | 155.0° |
| C6 | C8 | C9 | H9 | 120.6° | 120.0° |
| C6 | C8 | C9 | H10 | 120.6° | 120.1° |
| C6 | C8 | C9 | C10 | 173.3° | 175.0° |
| C6 | C8 | C9 | C11 | 67.0° | 65.0° |
| C8 | C6 | C7 | H6 | 52.3° | 64.7° |
| C8 | C6 | C7 | H7 | 67.7° | 175.4° |
| C8 | C6 | C7 | H8 | 172.3° | 55.4° |
| C6 | C8 | H9 | H10 | 118.3° | 120.1° |
| C6 | C8 | C9 | H11 | 50.8° | 55.0° |
| C5 | C4 | C3 | O1 | 176.2° | 180.0° |
| C5 | C4 | C3 | O2 | 3.3° | 0.0° |
| C4 | C5 | C6 | H5 | 47.3° | 35.0° |
| C8 | C9 | C10 | C11 | 118.6° | 120.1° |
| C8 | C9 | C10 | H11 | 122.5° | 120.0° |
| C8 | C9 | C11 | H11 | 117.6° | 120.0° |
| C8 | C9 | C11 | C12 | 32.9° | 150.0° |
| C8 | C9 | C11 | O4 | 148.3° | 30.0° |
| C9 | C8 | C6 | H5 | 23.7° | 54.1° |
| C9 | C8 | H9 | H10 | 118.3° | 120.0° |
| C8 | C9 | C10 | H12 | 180.0° | 64.9° |
| C8 | C9 | C10 | H13 | 60.0° | 175.0° |
| C8 | C9 | C10 | H14 | 60.0° | 55.1° |
| C4 | C3 | O1 | O2 | 179.6° | 180.0° |
| C18 | C17 | C16 | H25 | 120.7° | 120.1° |
| C18 | C17 | C16 | H26 | 120.7° | 120.0° |
| C18 | C17 | C16 | C15 | 33.1° | 180.0° |
| C18 | C17 | C16 | H23 | 87.7° | 60.0° |
| C18 | C17 | C16 | H24 | 153.9° | 60.0° |
| C18 | C17 | H25 | H26 | 117.9° | 120.0° |
| C17 | C18 | H27 | H28 | 120.0° | 120.0° |
| C17 | C18 | H27 | H29 | 120.0° | 120.0° |
| C17 | C18 | H28 | H29 | 120.0° | 120.0° |
| C17 | C16 | C15 | H23 | 120.8° | 120.0° |
| C17 | C16 | C15 | H24 | 120.8° | 120.1° |
| C17 | C16 | C15 | C14 | 91.6° | 180.0° |
| C17 | C16 | C15 | H21 | 29.4° | 60.0° |
| C17 | C16 | C15 | H22 | 147.5° | 60.0° |
| C17 | C16 | H23 | H24 | 117.5° | 120.0° |
| C16 | C17 | H25 | H26 | 117.9° | 120.0° |
| C16 | C17 | C18 | H27 | 180.0° | 60.0° |
| C16 | C17 | C18 | H28 | 60.0° | 60.0° |
| C16 | C17 | C18 | H29 | 60.0° | 180.0° |
| C10 | C9 | C11 | H11 | 118.6° | 120.0° |
| C10 | C9 | C11 | C12 | 90.9° | 89.9° |
| C10 | C9 | C11 | O4 | 87.8° | 90.0° |
| C10 | C9 | C8 | H9 | 66.1° | 65.1° |
| C10 | C9 | C8 | H10 | 52.8° | 54.9° |
| C9 | C10 | H12 | H13 | 120.0° | 120.0° |
| C9 | C10 | H12 | H14 | 120.0° | 120.0° |
| C9 | C10 | H13 | H14 | 120.0° | 119.9° |
| C9 | C11 | C12 | C13 | 146.6° | 173.3° |
| C9 | C11 | C12 | O4 | 178.7° | 180.0° |
| C11 | C9 | C8 | H9 | 53.6° | 55.0° |
| C11 | C9 | C8 | H10 | 172.4° | 174.9° |
| C11 | C9 | C10 | H12 | 61.4° | 175.0° |
| C11 | C9 | C10 | H13 | 58.7° | 55.0° |
| C11 | C9 | C10 | H14 | 178.6° | 65.0° |
| C9 | C11 | C12 | H15 | 33.4° | 6.8° |
| C13 | C12 | C11 | H15 | 180.0° | 179.9° |
| C12 | C13 | C14 | H17 | 180.0° | 180.0° |
| C13 | C12 | C11 | O4 | 34.6° | 6.7° |
| C12 | C13 | C14 | C15 | 175.1° | 132.1° |
| C12 | C13 | C14 | H19 | 64.4° | 107.8° |
| C12 | C13 | C14 | H20 | 54.5° | 12.1° |
| C11 | C12 | C13 | C14 | 21.6° | 11.5° |
| C12 | C11 | C9 | H11 | 150.5° | 30.0° |
| C11 | C12 | C13 | H17 | 158.4° | 168.4° |
| C16 | C15 | C14 | C13 | 39.1° | 180.0° |
| C16 | C15 | C14 | H21 | 121.0° | 120.0° |
| C16 | C15 | C14 | H22 | 120.9° | 120.0° |
| C16 | C15 | C14 | H19 | 159.7° | 60.0° |
| C16 | C15 | C14 | H20 | 81.4° | 60.0° |
| C16 | C15 | H21 | H22 | 117.0° | 120.0° |
| C15 | C16 | H23 | H24 | 117.5° | 120.0° |
| C15 | C16 | C17 | H25 | 153.8° | 60.0° |
| C15 | C16 | C17 | H26 | 87.6° | 60.0° |
| C13 | C14 | C15 | H19 | 120.6° | 120.0° |
| C13 | C14 | C15 | H20 | 120.6° | 120.0° |
| C14 | C13 | C12 | H15 | 158.4° | 168.5° |
| C13 | C14 | H19 | H20 | 118.3° | 120.0° |
| C13 | C14 | C15 | H21 | 160.1° | 60.0° |
| C13 | C14 | C15 | H22 | 81.8° | 60.0° |
| O4 | C11 | C9 | H11 | 30.7° | 150.0° |
| O4 | C11 | C12 | H15 | 145.4° | 173.2° |
| C15 | C14 | C13 | H17 | 4.9° | 47.9° |
| C15 | C14 | H19 | H20 | 118.3° | 120.0° |
| C14 | C15 | H21 | H22 | 117.0° | 120.0° |
| C14 | C15 | C16 | H23 | 147.6° | 60.0° |
| C14 | C15 | C16 | H24 | 29.3° | 60.0° |
| H5 | C6 | C7 | H6 | 64.9° | 175.3° |
| H5 | C6 | C7 | H7 | 175.1° | 55.4° |
| H5 | C6 | C7 | H8 | 55.1° | 64.6° |
| H5 | C6 | C8 | H9 | 144.2° | 65.8° |
| H5 | C6 | C8 | H10 | 96.9° | 174.2° |
| H6 | C7 | H7 | H8 | 120.0° | 119.9° |
| H9 | C8 | C9 | H11 | 171.4° | 175.0° |
| H10 | C8 | C9 | H11 | 69.7° | 65.1° |
| H11 | C9 | C10 | H12 | 57.5° | 55.1° |
| H11 | C9 | C10 | H13 | 177.5° | 65.0° |
| H11 | C9 | C10 | H14 | 62.5° | 175.1° |
| H12 | C10 | H13 | H14 | 120.0° | 120.0° |
| H15 | C12 | C13 | H17 | 21.6° | 11.5° |
| H17 | C13 | C14 | H19 | 115.6° | 72.1° |
| H17 | C13 | C14 | H20 | 125.5° | 167.9° |
| H19 | C14 | C15 | H21 | 79.4° | 180.0° |
| H19 | C14 | C15 | H22 | 38.7° | 60.0° |
| H20 | C14 | C15 | H21 | 39.5° | 60.0° |
| H20 | C14 | C15 | H22 | 157.6° | 180.0° |
| H21 | C15 | C16 | H23 | 91.4° | 180.0° |
| H21 | C15 | C16 | H24 | 150.3° | 60.0° |
| H22 | C15 | C16 | H23 | 26.7° | 60.0° |
| H22 | C15 | C16 | H24 | 91.7° | 179.9° |
| H23 | C16 | C17 | H25 | 33.0° | 179.9° |
| H23 | C16 | C17 | H26 | 151.6° | 60.0° |
| H24 | C16 | C17 | H25 | 85.4° | 60.1° |
| H24 | C16 | C17 | H26 | 33.2° | 180.0° |
| H25 | C17 | C18 | H27 | 59.3° | 180.0° |
| H25 | C17 | C18 | H28 | 60.7° | 60.0° |
| H25 | C17 | C18 | H29 | 179.3° | 60.0° |
| H26 | C17 | C18 | H27 | 59.3° | 60.0° |
| H26 | C17 | C18 | H28 | 179.3° | 180.0° |
| H26 | C17 | C18 | H29 | 60.7° | 60.0° |
| H27 | C18 | H28 | H29 | 120.0° | 120.0° |
| H30 | C20 | H31 | H32 | 120.0° | 120.0° |
