D7O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | doub | 1.31Å | 1.32Å | |
| O2 | C16 | doub | 1.21Å | 1.21Å | |
| O4 | C1 | doub | 1.21Å | 1.21Å | |
| C17 | O3 | sing | 1.45Å | 1.48Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | C20 | sing | 1.53Å | 1.51Å | |
| C16 | C2 | sing | 1.51Å | 1.52Å | |
| C16 | O3 | sing | 1.34Å | 1.33Å | |
| C8 | C7 | sing | 1.52Å | 1.52Å | |
| C8 | C6 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C1 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | C4 | sing | 1.54Å | 1.55Å | |
| C6 | C5 | sing | 1.55Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.55Å | 1.54Å | |
| C4 | C14 | sing | 1.51Å | 1.52Å | |
| O | C14 | sing | 1.34Å | 1.34Å | |
| O | C15 | sing | 1.45Å | 1.45Å | |
| C14 | O1 | doub | 1.21Å | 1.20Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | 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 | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å | |
| C9 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | O3 | 107.3° | 109.4° |
| C18 | C17 | C19 | 111.5° | 109.4° |
| C18 | C17 | C20 | 112.0° | 109.4° |
| C17 | C18 | H13 | 109.5° | 109.5° |
| C17 | C18 | H14 | 109.5° | 109.5° |
| C17 | C18 | H15 | 109.4° | 109.4° |
| C9 | C8 | C7 | 125.9° | 126.7° |
| C9 | C8 | C6 | 126.1° | 126.7° |
| C8 | C9 | H21 | 120.0° | 120.0° |
| C8 | C9 | H22 | 120.0° | 120.0° |
| O2 | C16 | C2 | 124.0° | 120.0° |
| O2 | C16 | O3 | 125.0° | 120.0° |
| O4 | C1 | C2 | 123.5° | 121.7° |
| O4 | C1 | C6 | 121.7° | 121.6° |
| O3 | C17 | C19 | 109.2° | 109.5° |
| O3 | C17 | C20 | 104.9° | 109.5° |
| C17 | O3 | C16 | 122.6° | 116.9° |
| C19 | C17 | C20 | 111.6° | 109.5° |
| C17 | C19 | H7 | 109.5° | 109.5° |
| C17 | C19 | H8 | 109.5° | 109.5° |
| C17 | C19 | H9 | 109.5° | 109.4° |
| C17 | C20 | H10 | 109.5° | 109.4° |
| C17 | C20 | H11 | 109.5° | 109.5° |
| C17 | C20 | H12 | 109.5° | 109.5° |
| C2 | C16 | O3 | 110.9° | 120.0° |
| C16 | C2 | C1 | 110.9° | 109.5° |
| C16 | C2 | C3 | 112.5° | 109.5° |
| C16 | C2 | H1 | 106.6° | 109.5° |
| C7 | C8 | C6 | 107.9° | 106.6° |
| C8 | C7 | C4 | 104.0° | 106.7° |
| C8 | C7 | H16 | 110.8° | 110.0° |
| C8 | C7 | H17 | 110.8° | 110.0° |
| C8 | C6 | C1 | 103.5° | 105.8° |
| C8 | C6 | C5 | 103.0° | 103.4° |
| C8 | C6 | H20 | 112.3° | 113.6° |
| C1 | C2 | C3 | 113.5° | 109.3° |
| C2 | C1 | C6 | 114.9° | 116.6° |
| C1 | C2 | H1 | 106.5° | 109.5° |
| C2 | C3 | C4 | 112.4° | 109.8° |
| C3 | C2 | H1 | 106.3° | 109.5° |
| C2 | C3 | H2 | 108.7° | 109.4° |
| C2 | C3 | H3 | 108.7° | 109.4° |
| C1 | C6 | C5 | 113.1° | 105.2° |
| C1 | C6 | H20 | 112.3° | 113.5° |
| C7 | C4 | C3 | 113.1° | 108.6° |
| C7 | C4 | C5 | 103.0° | 103.5° |
| C7 | C4 | C14 | 109.7° | 112.1° |
| C4 | C7 | H16 | 110.8° | 110.0° |
| C4 | C7 | H17 | 110.8° | 110.0° |
| C6 | C5 | C4 | 100.0° | 101.1° |
| C6 | C5 | H18 | 111.8° | 111.1° |
| C6 | C5 | H19 | 111.8° | 111.1° |
| C5 | C6 | H20 | 112.0° | 114.4° |
| C3 | C4 | C5 | 107.1° | 107.5° |
| C3 | C4 | C14 | 110.3° | 112.0° |
| C4 | C3 | H2 | 108.7° | 109.4° |
| C4 | C3 | H3 | 108.7° | 109.4° |
| C5 | C4 | C14 | 113.6° | 112.7° |
| C4 | C5 | H18 | 111.8° | 111.1° |
| C4 | C5 | H19 | 111.8° | 111.2° |
| C4 | C14 | O | 112.3° | 120.0° |
| C4 | C14 | O1 | 123.9° | 120.0° |
| C14 | O | C15 | 116.8° | 117.0° |
| O | C14 | O1 | 123.7° | 120.0° |
| O | C15 | H4 | 109.5° | 109.4° |
| O | C15 | H5 | 109.4° | 109.5° |
| O | C15 | H6 | 109.5° | 109.4° |
| H2 | C3 | H3 | 109.5° | 109.4° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H4 | C15 | H6 | 109.4° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H7 | C19 | H8 | 109.4° | 109.5° |
| H7 | C19 | H9 | 109.5° | 109.4° |
| H8 | C19 | H9 | 109.4° | 109.5° |
| H10 | C20 | H11 | 109.4° | 109.5° |
| H10 | C20 | H12 | 109.5° | 109.4° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.4° | 109.5° |
| H13 | C18 | H15 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H16 | C7 | H17 | 109.5° | 110.0° |
| H18 | C5 | H19 | 109.4° | 110.9° |
| H21 | C9 | H22 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | O3 | C19 | 121.0° | 120.0° |
| C18 | C17 | O3 | C20 | 119.2° | 119.9° |
| C18 | C17 | C19 | C20 | 126.1° | 119.9° |
| C18 | C17 | O3 | C16 | 59.4° | 180.0° |
| C18 | C17 | C19 | H7 | 180.0° | 60.1° |
| C18 | C17 | C19 | H8 | 60.0° | 60.0° |
| C18 | C17 | C19 | H9 | 60.0° | 180.0° |
| C18 | C17 | C20 | H10 | 180.0° | 180.0° |
| C18 | C17 | C20 | H11 | 60.0° | 60.0° |
| C18 | C17 | C20 | H12 | 60.0° | 60.0° |
| C17 | C18 | H13 | H14 | 120.0° | 120.0° |
| C17 | C18 | H13 | H15 | 120.0° | 120.0° |
| C17 | C18 | H14 | H15 | 120.0° | 120.0° |
| C9 | C8 | C7 | C6 | 179.1° | 180.0° |
| C9 | C8 | C6 | C1 | 86.1° | 97.9° |
| C9 | C8 | C7 | C4 | 175.7° | 176.9° |
| C9 | C8 | C6 | C5 | 155.8° | 151.8° |
| C9 | C8 | C7 | H16 | 65.2° | 57.6° |
| C9 | C8 | C7 | H17 | 56.5° | 63.8° |
| C9 | C8 | C6 | H20 | 35.2° | 27.2° |
| C8 | C9 | H21 | H22 | 180.0° | 180.0° |
| O2 | C16 | O3 | C17 | 14.4° | 0.0° |
| O2 | C16 | C2 | O3 | 177.0° | 180.0° |
| O2 | C16 | C2 | C1 | 21.0° | 120.0° |
| O2 | C16 | C2 | C3 | 149.4° | 0.2° |
| O2 | C16 | C2 | H1 | 94.5° | 119.9° |
| O4 | C1 | C2 | C16 | 21.4° | 11.2° |
| O4 | C1 | C6 | C8 | 117.3° | 131.3° |
| O4 | C1 | C2 | C6 | 179.1° | 179.7° |
| O4 | C1 | C2 | C3 | 149.1° | 131.2° |
| O4 | C1 | C6 | C5 | 132.0° | 119.6° |
| O4 | C1 | C2 | H1 | 94.2° | 108.9° |
| O4 | C1 | C6 | H20 | 4.0° | 6.2° |
| O3 | C17 | C19 | C20 | 115.5° | 120.1° |
| C17 | O3 | C16 | C2 | 162.6° | 180.0° |
| O3 | C17 | C19 | H7 | 61.6° | 59.9° |
| O3 | C17 | C19 | H8 | 178.4° | 180.0° |
| O3 | C17 | C19 | H9 | 58.5° | 60.0° |
| O3 | C17 | C20 | H10 | 63.9° | 60.0° |
| O3 | C17 | C20 | H11 | 56.0° | 180.0° |
| O3 | C17 | C20 | H12 | 176.0° | 59.9° |
| O3 | C17 | C18 | H13 | 180.0° | 60.0° |
| O3 | C17 | C18 | H14 | 60.0° | 180.0° |
| O3 | C17 | C18 | H15 | 60.0° | 60.0° |
| C19 | C17 | O3 | C16 | 61.6° | 60.0° |
| C17 | C19 | H7 | H8 | 120.0° | 120.1° |
| C17 | C19 | H7 | H9 | 120.0° | 119.9° |
| C17 | C19 | H8 | H9 | 120.0° | 120.0° |
| C19 | C17 | C20 | H10 | 54.1° | 60.1° |
| C19 | C17 | C20 | H11 | 174.1° | 59.9° |
| C19 | C17 | C20 | H12 | 65.9° | 180.0° |
| C19 | C17 | C18 | H13 | 60.5° | 180.0° |
| C19 | C17 | C18 | H14 | 179.5° | 60.0° |
| C19 | C17 | C18 | H15 | 59.5° | 60.0° |
| C20 | C17 | O3 | C16 | 178.6° | 60.1° |
| C20 | C17 | C19 | H7 | 53.9° | 180.0° |
| C20 | C17 | C19 | H8 | 66.1° | 59.9° |
| C20 | C17 | C19 | H9 | 173.9° | 60.1° |
| C17 | C20 | H10 | H11 | 120.0° | 120.0° |
| C17 | C20 | H10 | H12 | 120.0° | 120.0° |
| C17 | C20 | H11 | H12 | 120.0° | 120.1° |
| C20 | C17 | C18 | H13 | 65.4° | 60.0° |
| C20 | C17 | C18 | H14 | 54.6° | 60.0° |
| C20 | C17 | C18 | H15 | 174.6° | 180.0° |
| C16 | C2 | C1 | C3 | 127.7° | 120.0° |
| C16 | C2 | C1 | H1 | 115.6° | 120.1° |
| C16 | C2 | C3 | H1 | 116.3° | 120.1° |
| C16 | C2 | C1 | C6 | 159.5° | 168.5° |
| C16 | C2 | C3 | C4 | 166.3° | 168.9° |
| C16 | C2 | C3 | H2 | 73.3° | 71.1° |
| C16 | C2 | C3 | H3 | 45.9° | 48.7° |
| O3 | C16 | C2 | C1 | 162.0° | 60.0° |
| O3 | C16 | C2 | C3 | 33.6° | 179.8° |
| O3 | C16 | C2 | H1 | 82.5° | 60.1° |
| C7 | C8 | C6 | C1 | 93.0° | 82.0° |
| C8 | C7 | C4 | H16 | 119.1° | 119.3° |
| C8 | C7 | C4 | H17 | 119.1° | 119.4° |
| C7 | C8 | C6 | C5 | 25.0° | 28.3° |
| C8 | C7 | C4 | C3 | 84.7° | 90.8° |
| C8 | C7 | C4 | C5 | 30.6° | 23.2° |
| C8 | C7 | C4 | C14 | 151.8° | 144.9° |
| C8 | C7 | H16 | H17 | 122.5° | 121.4° |
| C7 | C8 | C6 | H20 | 145.7° | 152.9° |
| C7 | C8 | C9 | H21 | 179.0° | 0.0° |
| C7 | C8 | C9 | H22 | 1.0° | 180.0° |
| C8 | C6 | C1 | C2 | 61.8° | 48.9° |
| C8 | C6 | C1 | C5 | 110.8° | 109.0° |
| C8 | C6 | C1 | H20 | 121.3° | 125.2° |
| C6 | C8 | C7 | C4 | 3.5° | 3.2° |
| C8 | C6 | C5 | H20 | 120.9° | 124.0° |
| C8 | C6 | C5 | C4 | 43.1° | 42.0° |
| C6 | C8 | C7 | H16 | 115.7° | 122.5° |
| C6 | C8 | C7 | H17 | 122.6° | 116.2° |
| C8 | C6 | C5 | H18 | 161.5° | 160.0° |
| C8 | C6 | C5 | H19 | 75.4° | 76.0° |
| C6 | C8 | C9 | H21 | 0.0° | 180.0° |
| C6 | C8 | C9 | H22 | 180.0° | 0.0° |
| C1 | C2 | C3 | H1 | 116.7° | 120.0° |
| C2 | C1 | C6 | C5 | 48.9° | 60.1° |
| C1 | C2 | C3 | C4 | 39.4° | 48.9° |
| C1 | C2 | C3 | H2 | 159.8° | 169.0° |
| C1 | C2 | C3 | H3 | 81.1° | 71.2° |
| C2 | C1 | C6 | H20 | 176.9° | 174.1° |
| C3 | C2 | C1 | C6 | 31.8° | 48.6° |
| C2 | C3 | C4 | C7 | 49.6° | 45.5° |
| C2 | C3 | C4 | H2 | 120.4° | 120.1° |
| C2 | C3 | C4 | H3 | 120.5° | 120.1° |
| C2 | C3 | C4 | C5 | 63.1° | 65.9° |
| C2 | C3 | C4 | C14 | 172.9° | 169.9° |
| C2 | C3 | H2 | H3 | 118.7° | 119.8° |
| C1 | C6 | C5 | H20 | 128.1° | 125.2° |
| C1 | C6 | C5 | C4 | 68.0° | 68.8° |
| C6 | C1 | C2 | H1 | 84.8° | 71.4° |
| C1 | C6 | C5 | H18 | 50.5° | 49.2° |
| C1 | C6 | C5 | H19 | 173.6° | 173.2° |
| C7 | C4 | C5 | C6 | 45.6° | 39.8° |
| C7 | C4 | C3 | C5 | 112.7° | 111.3° |
| C7 | C4 | C3 | C14 | 123.3° | 124.4° |
| C7 | C4 | C5 | C14 | 118.6° | 121.3° |
| C7 | C4 | C14 | O | 52.8° | 63.1° |
| C7 | C4 | C14 | O1 | 128.2° | 116.9° |
| C7 | C4 | C3 | H2 | 70.8° | 74.6° |
| C7 | C4 | C3 | H3 | 170.1° | 165.5° |
| C4 | C7 | H16 | H17 | 122.6° | 121.3° |
| C7 | C4 | C5 | H18 | 164.1° | 157.8° |
| C7 | C4 | C5 | H19 | 72.9° | 78.2° |
| C6 | C5 | C4 | C3 | 73.8° | 75.0° |
| C6 | C5 | C4 | H18 | 118.5° | 118.0° |
| C6 | C5 | C4 | H19 | 118.5° | 118.0° |
| C6 | C5 | C4 | C14 | 164.2° | 161.1° |
| C6 | C5 | H18 | H19 | 124.4° | 124.1° |
| C3 | C4 | C5 | C14 | 122.0° | 123.9° |
| C3 | C4 | C14 | O | 72.3° | 59.3° |
| C3 | C4 | C14 | O1 | 106.6° | 120.6° |
| C4 | C3 | C2 | H1 | 77.4° | 71.0° |
| C4 | C3 | H2 | H3 | 118.7° | 119.9° |
| C3 | C4 | C7 | H16 | 156.2° | 149.9° |
| C3 | C4 | C7 | H17 | 34.4° | 28.6° |
| C3 | C4 | C5 | H18 | 44.6° | 43.0° |
| C3 | C4 | C5 | H19 | 167.7° | 167.0° |
| C5 | C4 | C14 | O | 167.5° | 179.3° |
| C5 | C4 | C14 | O1 | 13.6° | 0.7° |
| C5 | C4 | C3 | H2 | 176.5° | 174.1° |
| C5 | C4 | C3 | H3 | 57.3° | 54.2° |
| C5 | C4 | C7 | H16 | 88.6° | 96.1° |
| C5 | C4 | C7 | H17 | 149.7° | 142.6° |
| C4 | C5 | H18 | H19 | 124.4° | 124.2° |
| C4 | C5 | C6 | H20 | 164.0° | 166.0° |
| C4 | C14 | O | O1 | 179.0° | 180.0° |
| C4 | C14 | O | C15 | 174.9° | 180.0° |
| C14 | C4 | C3 | H2 | 52.5° | 49.8° |
| C14 | C4 | C3 | H3 | 66.7° | 70.1° |
| C14 | C4 | C7 | H16 | 32.6° | 25.6° |
| C14 | C4 | C7 | H17 | 89.1° | 95.8° |
| C14 | C4 | C5 | H18 | 77.3° | 80.9° |
| C14 | C4 | C5 | H19 | 45.7° | 43.2° |
| C14 | O | C15 | H4 | 180.0° | 180.0° |
| C14 | O | C15 | H5 | 60.0° | 60.0° |
| C14 | O | C15 | H6 | 60.0° | 60.0° |
| C15 | O | C14 | O1 | 4.1° | 0.0° |
| O | C15 | H4 | H5 | 120.0° | 120.0° |
| O | C15 | H4 | H6 | 120.0° | 119.9° |
| O | C15 | H5 | H6 | 120.0° | 120.0° |
| H1 | C2 | C3 | H2 | 43.1° | 49.0° |
| H1 | C2 | C3 | H3 | 162.2° | 168.8° |
| H4 | C15 | H5 | H6 | 120.0° | 120.1° |
| H7 | C19 | H8 | H9 | 120.0° | 120.0° |
| H10 | C20 | H11 | H12 | 120.0° | 120.0° |
| H13 | C18 | H14 | H15 | 120.0° | 120.1° |
| H18 | C5 | C6 | H20 | 77.6° | 76.0° |
| H19 | C5 | C6 | H20 | 45.5° | 48.0° |
