7LE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C20 | doub | 1.21Å | 1.26Å | |
| O3 | C20 | sing | 1.34Å | 1.26Å | |
| C20 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | C18 | sing | 1.53Å | 1.50Å | |
| C18 | C17 | sing | 1.53Å | 1.49Å | |
| C16 | C17 | sing | 1.51Å | 1.49Å | |
| C16 | C15 | doub | 1.31Å | 1.37Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | sing | 1.51Å | 1.49Å | |
| C13 | C12 | doub | 1.31Å | 1.37Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | C9 | doub | 1.31Å | 1.37Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | sing | 1.53Å | 1.50Å | |
| C7 | O2 | sing | 1.43Å | 1.40Å | |
| C7 | C6 | sing | 1.53Å | 1.50Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C4 | C3 | doub | 1.31Å | 1.38Å | |
| C6 | O1 | sing | 1.43Å | 1.42Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.08Å | 1.08Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H24 | sing | 1.09Å | 1.10Å | |
| O2 | H25 | sing | 0.97Å | 0.95Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| C5 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C4 | H29 | sing | 1.08Å | 1.08Å | |
| C3 | H30 | sing | 1.08Å | 1.08Å | |
| C2 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C1 | H35 | sing | 1.09Å | 1.10Å | |
| O1 | H36 | sing | 0.97Å | 0.95Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C20 | O3 | 120.1° | 120.0° |
| O4 | C20 | C19 | 119.8° | 120.0° |
| O3 | C20 | C19 | 120.0° | 120.0° |
| C20 | O3 | H9 | 109.5° | 117.0° |
| C20 | C19 | C18 | 117.0° | 109.5° |
| C20 | C19 | H10 | 107.5° | 109.4° |
| C20 | C19 | H11 | 107.6° | 109.5° |
| C19 | C18 | C17 | 117.0° | 109.5° |
| C18 | C19 | H10 | 107.6° | 109.4° |
| C18 | C19 | H11 | 107.6° | 109.5° |
| C19 | C18 | H12 | 107.5° | 109.4° |
| C19 | C18 | H13 | 107.6° | 109.6° |
| C18 | C17 | C16 | 108.1° | 109.5° |
| C17 | C18 | H12 | 107.5° | 109.4° |
| C17 | C18 | H13 | 107.5° | 109.5° |
| C18 | C17 | H14 | 109.8° | 109.4° |
| C18 | C17 | H4 | 109.8° | 109.5° |
| C17 | C16 | C15 | 121.1° | 120.0° |
| C16 | C17 | H14 | 109.8° | 109.4° |
| C17 | C16 | H16 | 119.5° | 119.9° |
| C16 | C17 | H4 | 109.8° | 109.5° |
| C16 | C15 | C14 | 122.0° | 120.0° |
| C16 | C15 | H7 | 119.0° | 120.0° |
| C15 | C16 | H16 | 119.4° | 120.1° |
| C15 | C14 | C13 | 108.5° | 109.4° |
| C15 | C14 | H5 | 109.7° | 109.4° |
| C14 | C15 | H7 | 119.0° | 120.0° |
| C15 | C14 | H2 | 109.7° | 109.4° |
| C14 | C13 | C12 | 122.6° | 120.0° |
| C14 | C13 | H3 | 118.7° | 120.0° |
| C13 | C14 | H5 | 109.7° | 109.5° |
| C13 | C14 | H2 | 109.7° | 109.5° |
| C13 | C12 | C11 | 125.3° | 120.0° |
| C13 | C12 | H1 | 117.3° | 120.0° |
| C12 | C13 | H3 | 118.7° | 120.0° |
| C12 | C11 | C10 | 110.3° | 109.4° |
| C11 | C12 | H1 | 117.4° | 120.0° |
| C12 | C11 | H18 | 109.3° | 109.5° |
| C12 | C11 | H6 | 109.3° | 109.4° |
| C11 | C10 | C9 | 123.9° | 120.0° |
| C10 | C11 | H18 | 109.3° | 109.5° |
| C11 | C10 | H20 | 118.1° | 120.0° |
| C10 | C11 | H6 | 109.2° | 109.5° |
| C10 | C9 | C8 | 123.3° | 120.0° |
| C9 | C10 | H20 | 118.0° | 120.0° |
| C10 | C9 | H21 | 118.4° | 120.0° |
| C9 | C8 | C7 | 113.9° | 109.5° |
| C8 | C9 | H21 | 118.4° | 120.0° |
| C9 | C8 | H22 | 108.3° | 109.5° |
| C9 | C8 | H8 | 108.3° | 109.5° |
| C8 | C7 | O2 | 107.8° | 109.5° |
| C8 | C7 | C6 | 111.9° | 109.5° |
| C7 | C8 | H22 | 108.3° | 109.5° |
| C8 | C7 | H24 | 108.9° | 109.5° |
| C7 | C8 | H8 | 108.3° | 109.4° |
| O2 | C7 | C6 | 108.9° | 109.5° |
| O2 | C7 | H24 | 110.4° | 109.5° |
| C7 | O2 | H25 | 109.5° | 114.0° |
| C7 | C6 | C5 | 112.2° | 109.5° |
| C7 | C6 | O1 | 113.2° | 109.5° |
| C6 | C7 | H24 | 108.9° | 109.5° |
| C7 | C6 | H26 | 106.2° | 109.5° |
| C6 | C5 | C4 | 108.6° | 109.5° |
| C5 | C6 | O1 | 111.3° | 109.5° |
| C5 | C6 | H26 | 106.2° | 109.5° |
| C6 | C5 | H27 | 109.7° | 109.5° |
| C6 | C5 | H28 | 109.7° | 109.5° |
| C5 | C4 | C3 | 124.2° | 120.0° |
| C4 | C5 | H27 | 109.7° | 109.5° |
| C4 | C5 | H28 | 109.7° | 109.5° |
| C5 | C4 | H29 | 117.9° | 120.0° |
| C3 | C2 | C1 | 111.9° | 109.5° |
| C2 | C3 | C4 | 121.4° | 120.1° |
| C2 | C3 | H30 | 119.3° | 120.0° |
| C3 | C2 | H31 | 108.9° | 109.5° |
| C3 | C2 | H32 | 108.9° | 109.4° |
| C1 | C2 | H31 | 108.9° | 109.5° |
| C1 | C2 | H32 | 108.9° | 109.4° |
| C2 | C1 | H33 | 109.5° | 109.5° |
| C2 | C1 | H34 | 109.5° | 109.4° |
| C2 | C1 | H35 | 109.4° | 109.5° |
| C3 | C4 | H29 | 117.9° | 120.0° |
| C4 | C3 | H30 | 119.3° | 120.0° |
| O1 | C6 | H26 | 107.3° | 109.5° |
| C6 | O1 | H36 | 109.5° | 114.0° |
| H5 | C14 | H2 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H12 | C18 | H13 | 109.5° | 109.5° |
| H14 | C17 | H4 | 109.5° | 109.4° |
| H18 | C11 | H6 | 109.4° | 109.5° |
| H22 | C8 | H8 | 109.5° | 109.5° |
| H27 | C5 | H28 | 109.5° | 109.5° |
| H31 | C2 | H32 | 109.4° | 109.5° |
| H33 | C1 | H34 | 109.5° | 109.4° |
| H33 | C1 | H35 | 109.5° | 109.5° |
| H34 | C1 | H35 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C20 | O3 | C19 | 179.9° | 179.9° |
| O4 | C20 | C19 | C18 | 18.5° | 0.0° |
| O4 | C20 | O3 | H9 | 0.0° | 0.1° |
| O4 | C20 | C19 | H10 | 139.6° | 119.9° |
| O4 | C20 | C19 | H11 | 102.6° | 120.1° |
| O3 | C20 | C19 | C18 | 161.4° | 179.9° |
| O3 | C20 | C19 | H10 | 40.3° | 60.0° |
| O3 | C20 | C19 | H11 | 77.5° | 60.0° |
| C20 | C19 | C18 | H10 | 121.1° | 119.9° |
| C20 | C19 | C18 | H11 | 121.1° | 120.0° |
| C20 | C19 | C18 | C17 | 143.4° | 179.9° |
| C19 | C20 | O3 | H9 | 179.9° | 180.0° |
| C20 | C19 | H10 | H11 | 116.6° | 120.0° |
| C20 | C19 | C18 | H12 | 95.6° | 60.1° |
| C20 | C19 | C18 | H13 | 22.3° | 60.0° |
| C19 | C18 | C17 | H12 | 121.1° | 119.9° |
| C19 | C18 | C17 | H13 | 121.1° | 120.1° |
| C19 | C18 | C17 | C16 | 91.5° | 180.0° |
| C18 | C19 | H10 | H11 | 116.6° | 120.1° |
| C19 | C18 | H12 | H13 | 116.6° | 120.1° |
| C19 | C18 | C17 | H14 | 28.3° | 60.1° |
| C19 | C18 | C17 | H4 | 148.8° | 59.9° |
| C18 | C17 | C16 | H14 | 119.8° | 120.0° |
| C18 | C17 | C16 | H4 | 119.8° | 120.1° |
| C18 | C17 | C16 | C15 | 173.6° | 126.4° |
| C17 | C18 | C19 | H10 | 22.3° | 60.1° |
| C17 | C18 | C19 | H11 | 95.5° | 59.9° |
| C17 | C18 | H12 | H13 | 116.6° | 120.0° |
| C18 | C17 | H14 | H4 | 120.6° | 120.0° |
| C18 | C17 | C16 | H16 | 6.3° | 53.7° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 19.5° | 7.2° |
| C17 | C16 | C15 | H7 | 160.5° | 172.7° |
| C16 | C17 | C18 | H12 | 147.5° | 60.1° |
| C16 | C17 | C18 | H13 | 29.6° | 59.9° |
| C16 | C17 | H14 | H4 | 120.7° | 120.0° |
| C16 | C15 | C14 | H7 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 168.8° | 127.7° |
| C16 | C15 | C14 | H5 | 48.9° | 7.7° |
| C15 | C16 | C17 | H14 | 53.9° | 6.4° |
| C16 | C15 | C14 | H2 | 71.4° | 112.3° |
| C15 | C16 | C17 | H4 | 66.6° | 113.6° |
| C15 | C14 | C13 | H5 | 119.8° | 120.0° |
| C15 | C14 | C13 | H2 | 119.9° | 120.0° |
| C15 | C14 | C13 | C12 | 174.8° | 126.5° |
| C15 | C14 | C13 | H3 | 5.2° | 53.6° |
| C15 | C14 | H5 | H2 | 120.5° | 120.0° |
| C14 | C15 | C16 | H16 | 160.5° | 172.7° |
| C14 | C13 | C12 | H3 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 84.0° | 7.2° |
| C14 | C13 | C12 | H1 | 96.0° | 172.9° |
| C13 | C14 | H5 | H2 | 120.5° | 120.1° |
| C13 | C14 | C15 | H7 | 11.2° | 52.4° |
| C13 | C12 | C11 | H1 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 60.4° | 127.6° |
| C12 | C13 | C14 | H5 | 55.0° | 113.6° |
| C13 | C12 | C11 | H18 | 179.5° | 112.4° |
| C12 | C13 | C14 | H2 | 65.4° | 6.5° |
| C13 | C12 | C11 | H6 | 59.7° | 7.6° |
| C12 | C11 | C10 | H18 | 120.2° | 120.0° |
| C12 | C11 | C10 | H6 | 120.2° | 119.9° |
| C12 | C11 | C10 | C9 | 71.7° | 126.9° |
| C11 | C12 | C13 | H3 | 96.0° | 172.7° |
| C12 | C11 | H18 | H6 | 119.6° | 120.0° |
| C12 | C11 | C10 | H20 | 108.2° | 53.2° |
| C11 | C10 | C9 | H20 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 2.2° | 7.8° |
| C10 | C11 | C12 | H1 | 119.6° | 52.3° |
| C10 | C11 | H18 | H6 | 119.6° | 120.0° |
| C11 | C10 | C9 | H21 | 177.8° | 172.2° |
| C10 | C9 | C8 | H21 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 144.7° | 126.8° |
| C9 | C10 | C11 | H18 | 48.4° | 6.8° |
| C10 | C9 | C8 | H22 | 94.7° | 113.2° |
| C9 | C10 | C11 | H6 | 168.1° | 113.2° |
| C10 | C9 | C8 | H8 | 24.0° | 6.8° |
| C9 | C8 | C7 | H22 | 120.7° | 120.0° |
| C9 | C8 | C7 | H8 | 120.7° | 120.0° |
| C9 | C8 | C7 | O2 | 173.5° | 65.0° |
| C9 | C8 | C7 | C6 | 66.7° | 175.0° |
| C8 | C9 | C10 | H20 | 177.8° | 172.2° |
| C9 | C8 | H22 | H8 | 118.0° | 120.0° |
| C9 | C8 | C7 | H24 | 53.7° | 55.0° |
| C8 | C7 | O2 | C6 | 121.6° | 120.0° |
| C8 | C7 | O2 | H24 | 118.9° | 120.0° |
| C8 | C7 | C6 | H24 | 120.5° | 120.0° |
| C8 | C7 | C6 | C5 | 42.0° | 175.0° |
| C8 | C7 | C6 | O1 | 84.9° | 55.0° |
| C7 | C8 | C9 | H21 | 35.3° | 53.3° |
| C7 | C8 | H22 | H8 | 118.0° | 120.0° |
| C8 | C7 | O2 | H25 | 180.0° | 60.0° |
| C8 | C7 | C6 | H26 | 157.6° | 65.0° |
| O2 | C7 | C6 | H24 | 120.4° | 120.0° |
| O2 | C7 | C6 | C5 | 77.1° | 55.0° |
| O2 | C7 | C6 | O1 | 156.0° | 65.0° |
| O2 | C7 | C8 | H22 | 52.9° | 55.0° |
| O2 | C7 | C6 | H26 | 38.5° | 175.0° |
| O2 | C7 | C8 | H8 | 65.8° | 175.0° |
| C7 | C6 | C5 | O1 | 128.0° | 120.0° |
| C7 | C6 | C5 | H26 | 115.6° | 120.0° |
| C7 | C6 | C5 | C4 | 157.0° | 175.0° |
| C7 | C6 | O1 | H26 | 116.9° | 120.0° |
| C6 | C7 | C8 | H22 | 172.6° | 65.0° |
| C6 | C7 | O2 | H25 | 58.3° | 60.0° |
| C7 | C6 | C5 | H27 | 37.1° | 55.0° |
| C7 | C6 | C5 | H28 | 83.2° | 65.0° |
| C7 | C6 | O1 | H36 | 180.0° | 60.0° |
| C6 | C7 | C8 | H8 | 53.9° | 55.0° |
| C6 | C5 | C4 | H27 | 119.8° | 120.0° |
| C6 | C5 | C4 | H28 | 119.9° | 120.0° |
| C6 | C5 | C4 | C3 | 140.2° | 126.3° |
| C5 | C6 | O1 | H26 | 115.7° | 120.0° |
| C5 | C6 | C7 | H24 | 162.5° | 65.0° |
| C6 | C5 | H27 | H28 | 120.4° | 120.0° |
| C6 | C5 | C4 | H29 | 39.8° | 53.6° |
| C5 | C6 | O1 | H36 | 52.6° | 60.0° |
| C5 | C4 | C3 | C2 | 3.4° | 7.3° |
| C5 | C4 | C3 | H29 | 180.0° | 180.0° |
| C4 | C5 | C6 | O1 | 75.1° | 65.0° |
| C4 | C5 | C6 | H26 | 41.3° | 55.0° |
| C4 | C5 | H27 | H28 | 120.4° | 120.0° |
| C5 | C4 | C3 | H30 | 176.6° | 172.7° |
| C3 | C2 | C1 | H31 | 120.4° | 120.0° |
| C3 | C2 | C1 | H32 | 120.4° | 119.9° |
| C2 | C3 | C4 | H30 | 180.0° | 180.0° |
| C2 | C3 | C4 | H29 | 176.6° | 172.7° |
| C3 | C2 | H31 | H32 | 118.9° | 120.0° |
| C3 | C2 | C1 | H33 | 180.0° | 59.9° |
| C3 | C2 | C1 | H34 | 60.0° | 60.1° |
| C3 | C2 | C1 | H35 | 60.0° | 180.0° |
| C1 | C2 | C3 | C4 | 137.8° | 127.6° |
| C1 | C2 | C3 | H30 | 42.2° | 52.4° |
| C1 | C2 | H31 | H32 | 118.9° | 120.0° |
| C2 | C1 | H33 | H34 | 120.0° | 120.0° |
| C2 | C1 | H33 | H35 | 120.0° | 120.1° |
| C2 | C1 | H34 | H35 | 120.0° | 120.0° |
| C3 | C4 | C5 | H27 | 20.3° | 6.3° |
| C3 | C4 | C5 | H28 | 100.0° | 113.7° |
| C4 | C3 | C2 | H31 | 17.4° | 112.3° |
| C4 | C3 | C2 | H32 | 101.8° | 7.7° |
| O1 | C6 | C7 | H24 | 35.5° | 175.0° |
| O1 | C6 | C5 | H27 | 165.1° | 175.0° |
| O1 | C6 | C5 | H28 | 44.8° | 55.0° |
| H1 | C12 | C13 | H3 | 84.0° | 7.1° |
| H1 | C12 | C11 | H18 | 0.5° | 67.8° |
| H1 | C12 | C11 | H6 | 120.3° | 172.2° |
| H3 | C13 | C14 | H5 | 125.1° | 66.3° |
| H3 | C13 | C14 | H2 | 114.6° | 173.6° |
| H5 | C14 | C15 | H7 | 131.1° | 172.4° |
| H7 | C15 | C16 | H16 | 19.5° | 7.4° |
| H7 | C15 | C14 | H2 | 108.6° | 67.6° |
| H10 | C19 | C18 | H12 | 143.4° | 180.0° |
| H10 | C19 | C18 | H13 | 98.8° | 60.0° |
| H11 | C19 | C18 | H12 | 25.5° | 59.9° |
| H11 | C19 | C18 | H13 | 143.4° | 180.0° |
| H12 | C18 | C17 | H14 | 92.8° | 180.0° |
| H12 | C18 | C17 | H4 | 27.7° | 60.0° |
| H13 | C18 | C17 | H14 | 149.4° | 60.1° |
| H13 | C18 | C17 | H4 | 90.1° | 180.0° |
| H14 | C17 | C16 | H16 | 126.1° | 173.7° |
| H16 | C16 | C17 | H4 | 113.4° | 66.4° |
| H18 | C11 | C10 | H20 | 131.6° | 173.2° |
| H20 | C10 | C9 | H21 | 2.2° | 7.8° |
| H20 | C10 | C11 | H6 | 11.9° | 66.7° |
| H21 | C9 | C8 | H22 | 85.3° | 66.8° |
| H21 | C9 | C8 | H8 | 156.0° | 173.2° |
| H22 | C8 | C7 | H24 | 66.9° | 175.0° |
| H24 | C7 | O2 | H25 | 61.1° | 180.0° |
| H24 | C7 | C6 | H26 | 82.0° | 55.0° |
| H24 | C7 | C8 | H8 | 174.4° | 65.0° |
| H26 | C6 | C5 | H27 | 78.5° | 65.0° |
| H26 | C6 | C5 | H28 | 161.2° | 175.0° |
| H26 | C6 | O1 | H36 | 63.1° | 180.0° |
| H27 | C5 | C4 | H29 | 159.7° | 173.6° |
| H28 | C5 | C4 | H29 | 80.0° | 66.4° |
| H29 | C4 | C3 | H30 | 3.4° | 7.3° |
| H30 | C3 | C2 | H31 | 162.6° | 67.7° |
| H30 | C3 | C2 | H32 | 78.2° | 172.3° |
| H31 | C2 | C1 | H33 | 59.6° | 179.9° |
| H31 | C2 | C1 | H34 | 179.6° | 60.0° |
| H31 | C2 | C1 | H35 | 60.4° | 59.9° |
| H32 | C2 | C1 | H33 | 59.6° | 60.0° |
| H32 | C2 | C1 | H34 | 60.4° | 180.0° |
| H32 | C2 | C1 | H35 | 179.6° | 60.1° |
| H33 | C1 | H34 | H35 | 120.0° | 120.0° |
