7E0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C9 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.50Å | 1.51Å | |
| C17 | O6 | sing | 1.43Å | 1.42Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| O6 | C16 | sing | 1.41Å | 1.43Å | |
| C20 | C13 | sing | 1.51Å | 1.50Å | |
| C13 | C14 | doub | 1.29Å | 1.35Å | |
| C9 | C16 | sing | 1.54Å | 1.51Å | |
| C9 | C10 | sing | 1.54Å | 1.56Å | |
| C9 | C8 | sing | 1.55Å | 1.54Å | |
| C16 | C6 | sing | 1.56Å | 1.50Å | |
| C10 | C19 | sing | 1.53Å | 1.53Å | |
| C10 | C15 | sing | 1.53Å | 1.56Å | |
| C8 | C7 | sing | 1.54Å | 1.53Å | |
| C14 | C15 | sing | 1.50Å | 1.53Å | |
| C15 | O3 | sing | 1.43Å | 1.46Å | |
| C6 | C7 | sing | 1.54Å | 1.52Å | |
| C6 | O3 | sing | 1.44Å | 1.44Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C9 | C16 | 112.8° | 113.2° |
| C18 | C9 | C10 | 116.2° | 113.3° |
| C18 | C9 | C8 | 106.1° | 113.9° |
| C9 | C18 | H13 | 109.5° | 109.5° |
| C9 | C18 | H14 | 109.5° | 109.5° |
| C9 | C18 | H15 | 109.5° | 109.5° |
| C11 | C12 | C13 | 110.9° | 110.3° |
| C12 | C11 | C10 | 116.1° | 108.3° |
| C11 | C12 | H4 | 109.1° | 109.3° |
| C11 | C12 | H5 | 109.1° | 109.3° |
| C12 | C11 | H6 | 107.8° | 109.7° |
| C12 | C11 | H7 | 107.8° | 109.7° |
| C12 | C13 | C20 | 117.6° | 117.8° |
| C12 | C13 | C14 | 122.1° | 124.5° |
| C13 | C12 | H4 | 109.1° | 109.4° |
| C13 | C12 | H5 | 109.1° | 109.4° |
| O6 | C17 | C16 | 57.9° | 57.0° |
| C17 | O6 | C16 | 64.5° | 64.4° |
| O6 | C17 | H21 | 120.3° | 117.9° |
| O6 | C17 | H22 | 120.3° | 117.8° |
| C17 | C16 | O6 | 57.6° | 58.6° |
| C17 | C16 | C9 | 128.5° | 122.8° |
| C17 | C16 | C6 | 126.0° | 123.0° |
| C16 | C17 | H21 | 120.3° | 117.8° |
| C16 | C17 | H22 | 120.3° | 117.8° |
| C11 | C10 | C9 | 114.6° | 109.5° |
| C11 | C10 | C19 | 101.4° | 109.6° |
| C11 | C10 | C15 | 109.1° | 108.9° |
| C10 | C11 | H6 | 107.8° | 109.7° |
| C10 | C11 | H7 | 107.8° | 109.7° |
| O6 | C16 | C9 | 111.0° | 123.4° |
| O6 | C16 | C6 | 109.4° | 123.9° |
| C20 | C13 | C14 | 120.3° | 117.7° |
| C13 | C20 | H1 | 109.5° | 109.5° |
| C13 | C20 | H2 | 109.5° | 109.5° |
| C13 | C20 | H3 | 109.5° | 109.5° |
| C13 | C14 | C15 | 124.9° | 123.8° |
| C13 | C14 | H8 | 117.5° | 118.1° |
| C16 | C9 | C10 | 106.1° | 106.4° |
| C16 | C9 | C8 | 97.8° | 103.0° |
| C9 | C16 | C6 | 105.5° | 102.0° |
| C10 | C9 | C8 | 116.4° | 106.1° |
| C9 | C10 | C19 | 113.1° | 109.5° |
| C9 | C10 | C15 | 110.7° | 109.9° |
| C9 | C8 | C7 | 107.5° | 106.0° |
| C9 | C8 | H16 | 110.0° | 110.2° |
| C9 | C8 | H17 | 110.0° | 110.1° |
| C16 | C6 | C7 | 100.5° | 103.0° |
| C16 | C6 | O3 | 108.8° | 106.3° |
| C16 | C6 | H20 | 112.4° | 113.1° |
| C19 | C10 | C15 | 107.4° | 109.4° |
| C10 | C19 | H10 | 109.5° | 109.5° |
| C10 | C19 | H11 | 109.5° | 109.5° |
| C10 | C19 | H12 | 109.5° | 109.5° |
| C10 | C15 | C14 | 113.8° | 109.7° |
| C10 | C15 | O3 | 114.6° | 111.5° |
| C10 | C15 | H9 | 106.0° | 108.3° |
| C8 | C7 | C6 | 105.4° | 106.6° |
| C7 | C8 | H16 | 110.0° | 110.2° |
| C7 | C8 | H17 | 110.0° | 110.1° |
| C8 | C7 | H18 | 110.5° | 110.1° |
| C8 | C7 | H19 | 110.5° | 110.1° |
| C14 | C15 | O3 | 108.4° | 108.9° |
| C15 | C14 | H8 | 117.6° | 118.1° |
| C14 | C15 | H9 | 106.3° | 109.2° |
| C15 | O3 | C6 | 117.0° | 114.4° |
| O3 | C15 | H9 | 107.2° | 109.2° |
| C7 | C6 | O3 | 108.4° | 107.2° |
| C6 | C7 | H18 | 110.5° | 110.3° |
| C6 | C7 | H19 | 110.5° | 109.6° |
| C7 | C6 | H20 | 112.2° | 112.9° |
| O3 | C6 | H20 | 113.6° | 113.6° |
| H1 | C20 | H2 | 109.5° | 109.5° |
| H1 | C20 | H3 | 109.4° | 109.4° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.2° |
| H6 | C11 | H7 | 109.5° | 109.7° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H10 | C19 | H12 | 109.4° | 109.4° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.4° |
| H13 | C18 | H15 | 109.5° | 109.4° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H16 | C8 | H17 | 109.5° | 110.2° |
| H18 | C7 | H19 | 109.5° | 110.1° |
| H21 | C17 | H22 | 109.5° | 115.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C9 | C16 | C17 | 25.0° | 51.2° |
| C18 | C9 | C10 | C11 | 25.2° | 65.5° |
| C18 | C9 | C16 | O6 | 39.6° | 20.2° |
| C18 | C9 | C16 | C10 | 128.4° | 125.1° |
| C18 | C9 | C16 | C8 | 111.2° | 123.5° |
| C18 | C9 | C10 | C8 | 126.2° | 125.8° |
| C18 | C9 | C16 | C6 | 157.9° | 165.7° |
| C18 | C9 | C10 | C19 | 90.3° | 54.6° |
| C18 | C9 | C10 | C15 | 149.1° | 174.9° |
| C18 | C9 | C8 | C7 | 145.5° | 149.7° |
| C9 | C18 | H13 | H14 | 120.0° | 120.0° |
| C9 | C18 | H13 | H15 | 120.0° | 120.0° |
| C9 | C18 | H14 | H15 | 120.0° | 120.0° |
| C18 | C9 | C8 | H16 | 25.8° | 30.5° |
| C18 | C9 | C8 | H17 | 94.8° | 91.2° |
| C11 | C12 | C13 | H4 | 120.2° | 120.2° |
| C11 | C12 | C13 | H5 | 120.2° | 120.2° |
| C12 | C11 | C10 | H6 | 120.9° | 119.7° |
| C12 | C11 | C10 | H7 | 120.9° | 119.7° |
| C11 | C12 | C13 | C20 | 161.4° | 163.9° |
| C11 | C12 | C13 | C14 | 18.8° | 16.3° |
| C12 | C11 | C10 | C9 | 68.6° | 172.3° |
| C12 | C11 | C10 | C19 | 169.3° | 52.2° |
| C12 | C11 | C10 | C15 | 56.2° | 67.5° |
| C11 | C12 | H4 | H5 | 119.3° | 119.5° |
| C12 | C11 | H6 | H7 | 117.0° | 120.6° |
| C13 | C12 | C11 | C10 | 48.0° | 48.2° |
| C12 | C13 | C20 | C14 | 179.8° | 179.8° |
| C12 | C13 | C14 | C15 | 0.5° | 0.8° |
| C12 | C13 | C20 | H1 | 180.0° | 179.8° |
| C12 | C13 | C20 | H2 | 60.0° | 59.7° |
| C12 | C13 | C20 | H3 | 60.0° | 60.3° |
| C13 | C12 | H4 | H5 | 119.4° | 119.7° |
| C13 | C12 | C11 | H6 | 169.0° | 71.5° |
| C13 | C12 | C11 | H7 | 72.9° | 167.9° |
| C12 | C13 | C14 | H8 | 179.5° | 179.2° |
| O6 | C17 | C16 | H21 | 108.9° | 106.7° |
| O6 | C17 | C16 | H22 | 108.9° | 106.6° |
| C17 | O6 | C16 | C9 | 123.1° | 110.9° |
| O6 | C17 | C16 | C6 | 91.4° | 112.5° |
| O6 | C17 | H21 | H22 | 145.9° | 147.3° |
| C17 | C16 | C9 | C6 | 177.1° | 143.1° |
| C17 | C16 | C9 | C10 | 103.4° | 73.9° |
| C17 | C16 | C9 | C8 | 136.2° | 174.7° |
| C17 | C16 | C6 | C7 | 136.1° | 175.1° |
| C17 | C16 | C6 | O3 | 110.1° | 72.3° |
| C17 | C16 | C6 | H20 | 16.6° | 52.9° |
| C16 | C17 | H21 | H22 | 145.8° | 147.3° |
| C11 | C10 | C9 | C16 | 101.1° | 59.5° |
| C11 | C10 | C9 | C19 | 115.5° | 120.2° |
| C11 | C10 | C9 | C15 | 123.9° | 119.6° |
| C11 | C10 | C9 | C8 | 151.4° | 168.7° |
| C11 | C10 | C19 | C15 | 114.4° | 119.3° |
| C11 | C10 | C15 | C14 | 34.4° | 50.5° |
| C11 | C10 | C15 | O3 | 159.9° | 70.2° |
| C10 | C11 | C12 | H4 | 168.2° | 168.5° |
| C10 | C11 | C12 | H5 | 72.2° | 72.0° |
| C10 | C11 | H6 | H7 | 117.0° | 120.6° |
| C11 | C10 | C15 | H9 | 82.1° | 169.6° |
| C11 | C10 | C19 | H10 | 180.0° | 60.0° |
| C11 | C10 | C19 | H11 | 60.0° | 180.0° |
| C11 | C10 | C19 | H12 | 60.0° | 60.0° |
| O6 | C16 | C9 | C6 | 118.3° | 145.5° |
| O6 | C16 | C9 | C10 | 168.0° | 145.3° |
| O6 | C16 | C9 | C8 | 71.6° | 103.3° |
| O6 | C16 | C6 | C7 | 72.7° | 103.4° |
| O6 | C16 | C6 | O3 | 173.5° | 144.1° |
| O6 | C16 | C6 | H20 | 46.8° | 18.8° |
| C20 | C13 | C14 | C15 | 179.7° | 179.5° |
| C13 | C20 | H1 | H2 | 120.0° | 120.0° |
| C13 | C20 | H1 | H3 | 120.0° | 120.0° |
| C13 | C20 | H2 | H3 | 120.0° | 120.0° |
| C20 | C13 | C12 | H4 | 41.1° | 43.7° |
| C20 | C13 | C12 | H5 | 78.4° | 75.9° |
| C20 | C13 | C14 | H8 | 0.3° | 0.6° |
| C13 | C14 | C15 | C10 | 9.1° | 18.2° |
| C13 | C14 | C15 | H8 | 180.0° | 180.0° |
| C13 | C14 | C15 | O3 | 137.8° | 104.1° |
| C14 | C13 | C20 | H1 | 0.2° | 0.0° |
| C14 | C13 | C20 | H2 | 120.2° | 120.0° |
| C14 | C13 | C20 | H3 | 119.8° | 120.0° |
| C14 | C13 | C12 | H4 | 139.1° | 136.5° |
| C14 | C13 | C12 | H5 | 101.4° | 103.9° |
| C13 | C14 | C15 | H9 | 107.3° | 136.8° |
| C16 | C9 | C10 | C8 | 107.5° | 109.2° |
| C16 | C9 | C10 | C19 | 143.4° | 179.7° |
| C16 | C9 | C10 | C15 | 22.8° | 60.1° |
| C16 | C9 | C8 | C7 | 28.9° | 26.7° |
| C9 | C16 | C6 | C7 | 46.7° | 41.9° |
| C9 | C16 | C6 | O3 | 67.1° | 70.6° |
| C16 | C9 | C18 | H13 | 180.0° | 60.7° |
| C16 | C9 | C18 | H14 | 60.0° | 179.3° |
| C16 | C9 | C18 | H15 | 60.0° | 59.2° |
| C16 | C9 | C8 | H16 | 90.8° | 92.5° |
| C16 | C9 | C8 | H17 | 148.6° | 145.7° |
| C9 | C16 | C6 | H20 | 166.2° | 164.1° |
| C9 | C16 | C17 | H21 | 16.8° | 141.3° |
| C9 | C16 | C17 | H22 | 159.0° | 5.4° |
| C10 | C9 | C16 | C6 | 73.7° | 69.2° |
| C9 | C10 | C19 | C15 | 122.5° | 120.6° |
| C10 | C9 | C8 | C7 | 83.4° | 84.9° |
| C9 | C10 | C15 | C14 | 92.6° | 170.5° |
| C9 | C10 | C15 | O3 | 32.9° | 49.8° |
| C9 | C10 | C11 | H6 | 52.3° | 68.0° |
| C9 | C10 | C11 | H7 | 170.4° | 52.6° |
| C9 | C10 | C15 | H9 | 150.9° | 70.5° |
| C9 | C10 | C19 | H10 | 56.8° | 179.9° |
| C9 | C10 | C19 | H11 | 63.2° | 59.9° |
| C9 | C10 | C19 | H12 | 176.8° | 60.2° |
| C10 | C9 | C18 | H13 | 57.1° | 60.6° |
| C10 | C9 | C18 | H14 | 177.1° | 59.4° |
| C10 | C9 | C18 | H15 | 62.9° | 179.5° |
| C10 | C9 | C8 | H16 | 156.9° | 155.9° |
| C10 | C9 | C8 | H17 | 36.3° | 34.1° |
| C8 | C9 | C16 | C6 | 46.7° | 42.2° |
| C8 | C9 | C10 | C19 | 35.9° | 71.1° |
| C8 | C9 | C10 | C15 | 84.7° | 49.1° |
| C9 | C8 | C7 | H16 | 119.7° | 119.1° |
| C9 | C8 | C7 | H17 | 119.7° | 119.1° |
| C9 | C8 | C7 | C6 | 2.1° | 0.6° |
| C8 | C9 | C18 | H13 | 74.1° | 178.0° |
| C8 | C9 | C18 | H14 | 45.9° | 62.0° |
| C8 | C9 | C18 | H15 | 165.9° | 58.0° |
| C9 | C8 | H16 | H17 | 120.9° | 121.7° |
| C9 | C8 | C7 | H18 | 121.5° | 120.3° |
| C9 | C8 | C7 | H19 | 117.2° | 118.2° |
| C16 | C6 | C7 | C8 | 25.8° | 25.4° |
| C16 | C6 | O3 | C15 | 7.7° | 64.8° |
| C16 | C6 | C7 | O3 | 114.1° | 111.9° |
| C16 | C6 | C7 | H20 | 119.7° | 122.3° |
| C16 | C6 | O3 | H20 | 126.1° | 124.9° |
| C16 | C6 | C7 | H18 | 93.5° | 94.1° |
| C16 | C6 | C7 | H19 | 145.2° | 144.5° |
| C6 | C16 | C17 | H21 | 159.7° | 5.8° |
| C6 | C16 | C17 | H22 | 17.5° | 140.9° |
| C19 | C10 | C15 | C14 | 143.5° | 69.2° |
| C19 | C10 | C15 | O3 | 91.0° | 170.1° |
| C19 | C10 | C11 | H6 | 69.8° | 171.8° |
| C19 | C10 | C11 | H7 | 48.3° | 67.6° |
| C19 | C10 | C15 | H9 | 27.0° | 49.9° |
| C10 | C19 | H10 | H11 | 120.0° | 120.0° |
| C10 | C19 | H10 | H12 | 120.0° | 120.0° |
| C10 | C19 | H11 | H12 | 120.0° | 120.0° |
| C10 | C15 | C14 | O3 | 128.7° | 122.3° |
| C10 | C15 | C14 | H9 | 116.3° | 118.5° |
| C10 | C15 | O3 | H9 | 117.3° | 119.7° |
| C10 | C15 | O3 | C6 | 42.5° | 53.5° |
| C15 | C10 | C11 | H6 | 177.1° | 52.2° |
| C15 | C10 | C11 | H7 | 64.8° | 172.8° |
| C10 | C15 | C14 | H8 | 171.0° | 161.7° |
| C15 | C10 | C19 | H10 | 65.6° | 59.3° |
| C15 | C10 | C19 | H11 | 174.3° | 60.7° |
| C15 | C10 | C19 | H12 | 54.3° | 179.3° |
| C8 | C7 | C6 | H18 | 119.4° | 119.5° |
| C8 | C7 | C6 | H19 | 119.4° | 119.1° |
| C8 | C7 | C6 | O3 | 88.2° | 86.5° |
| C7 | C8 | H16 | H17 | 120.9° | 121.8° |
| C8 | C7 | H18 | H19 | 121.9° | 121.6° |
| C8 | C7 | C6 | H20 | 145.5° | 147.7° |
| C14 | C15 | O3 | H9 | 114.4° | 119.1° |
| C14 | C15 | O3 | C6 | 85.8° | 174.7° |
| C15 | O3 | C6 | C7 | 100.8° | 44.8° |
| O3 | C15 | C14 | H8 | 42.2° | 76.0° |
| C15 | O3 | C6 | H20 | 133.7° | 170.3° |
| C7 | C6 | O3 | H20 | 125.5° | 125.4° |
| C6 | C7 | C8 | H16 | 117.5° | 118.6° |
| C6 | C7 | C8 | H17 | 121.8° | 119.6° |
| C6 | C7 | H18 | H19 | 121.9° | 121.0° |
| C6 | O3 | C15 | H9 | 159.8° | 66.2° |
| O3 | C6 | C7 | H18 | 152.4° | 154.0° |
| O3 | C6 | C7 | H19 | 31.1° | 32.6° |
| H1 | C20 | H2 | H3 | 120.0° | 120.0° |
| H4 | C12 | C11 | H6 | 70.8° | 48.8° |
| H4 | C12 | C11 | H7 | 47.3° | 71.8° |
| H5 | C12 | C11 | H6 | 48.7° | 168.3° |
| H5 | C12 | C11 | H7 | 166.8° | 47.7° |
| H8 | C14 | C15 | H9 | 72.7° | 43.2° |
| H10 | C19 | H11 | H12 | 120.0° | 120.0° |
| H13 | C18 | H14 | H15 | 120.0° | 120.0° |
| H16 | C8 | C7 | H18 | 1.8° | 1.1° |
| H16 | C8 | C7 | H19 | 123.1° | 122.7° |
| H17 | C8 | C7 | H18 | 118.8° | 120.7° |
| H17 | C8 | C7 | H19 | 2.5° | 0.9° |
| H18 | C7 | C6 | H20 | 26.1° | 28.2° |
| H19 | C7 | C6 | H20 | 95.2° | 93.2° |
