ZS9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C16 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.51Å | 1.49Å | |
| C20 | C18 | doub | 1.31Å | 1.33Å | |
| C16 | C4 | sing | 1.53Å | 1.53Å | |
| C18 | C5 | sing | 1.51Å | 1.49Å | |
| C8 | C7 | sing | 1.51Å | 1.55Å | |
| C8 | C2 | sing | 1.51Å | 1.55Å | |
| C7 | C9 | sing | 1.53Å | 1.51Å | |
| C7 | C6 | sing | 1.51Å | 1.54Å | |
| C9 | C12 | sing | 1.51Å | 1.46Å | |
| C9 | C14 | sing | 1.53Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.54Å | 1.51Å | |
| C4 | C3 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | sing | 1.52Å | 1.54Å | |
| C12 | O13 | doub | 1.21Å | 1.22Å | |
| C12 | O11 | sing | 1.34Å | 1.34Å | |
| C6 | O11 | sing | 1.45Å | 1.41Å | |
| C3 | C15 | doub | 1.31Å | 1.35Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C19 | C18 | 105.3° | 98.4° |
| C19 | C16 | C4 | 107.8° | 96.7° |
| C19 | C16 | H15 | 109.9° | 111.9° |
| C19 | C16 | H16 | 109.9° | 112.0° |
| C16 | C19 | H17 | 110.5° | 111.6° |
| C16 | C19 | H18 | 110.5° | 111.6° |
| C19 | C18 | C20 | 116.2° | 126.5° |
| C19 | C18 | C5 | 110.5° | 107.1° |
| C18 | C19 | H17 | 110.5° | 111.6° |
| C18 | C19 | H18 | 110.5° | 111.6° |
| C20 | C18 | C5 | 128.6° | 126.5° |
| C18 | C20 | H19 | 120.0° | 120.0° |
| C18 | C20 | H20 | 120.0° | 120.0° |
| C16 | C4 | C5 | 107.7° | 100.4° |
| C16 | C4 | C3 | 120.0° | 105.6° |
| C16 | C4 | H3 | 104.0° | 106.8° |
| C4 | C16 | H15 | 109.9° | 111.8° |
| C4 | C16 | H16 | 109.9° | 111.9° |
| C18 | C5 | C4 | 105.6° | 102.7° |
| C18 | C5 | C6 | 111.0° | 109.6° |
| C18 | C5 | H4 | 111.6° | 107.9° |
| C7 | C8 | C2 | 117.8° | 131.1° |
| C8 | C7 | C9 | 112.6° | 121.8° |
| C8 | C7 | C6 | 111.8° | 107.8° |
| C8 | C7 | H6 | 110.0° | 108.5° |
| C7 | C8 | H7 | 107.3° | 104.9° |
| C7 | C8 | H8 | 107.3° | 104.9° |
| C8 | C2 | C3 | 124.6° | 102.7° |
| C8 | C2 | H1 | 105.6° | 110.8° |
| C8 | C2 | H2 | 105.6° | 110.9° |
| C2 | C8 | H7 | 107.3° | 104.8° |
| C2 | C8 | H8 | 107.3° | 104.8° |
| C9 | C7 | C6 | 101.7° | 100.8° |
| C7 | C9 | C12 | 98.0° | 102.6° |
| C7 | C9 | C14 | 106.2° | 110.8° |
| C9 | C7 | H6 | 110.4° | 108.8° |
| C7 | C9 | H9 | 114.2° | 110.8° |
| C7 | C6 | C5 | 113.2° | 111.1° |
| C7 | C6 | O11 | 106.1° | 108.4° |
| C7 | C6 | H5 | 106.4° | 105.6° |
| C6 | C7 | H6 | 110.1° | 108.3° |
| C12 | C9 | C14 | 107.1° | 110.8° |
| C9 | C12 | O13 | 130.1° | 125.9° |
| C9 | C12 | O11 | 111.7° | 108.1° |
| C12 | C9 | H9 | 115.2° | 110.8° |
| C14 | C9 | H9 | 114.5° | 110.8° |
| C9 | C14 | H10 | 109.5° | 109.5° |
| C9 | C14 | H11 | 109.5° | 109.5° |
| C9 | C14 | H12 | 109.5° | 109.5° |
| C2 | C3 | C4 | 119.9° | 118.4° |
| C2 | C3 | C15 | 113.5° | 120.8° |
| C3 | C2 | H1 | 105.6° | 110.8° |
| C3 | C2 | H2 | 105.6° | 110.8° |
| C5 | C4 | C3 | 114.7° | 125.7° |
| C4 | C5 | C6 | 106.1° | 118.3° |
| C5 | C4 | H3 | 104.2° | 108.3° |
| C4 | C5 | H4 | 111.3° | 108.9° |
| C4 | C3 | C15 | 124.6° | 120.8° |
| C3 | C4 | H3 | 104.2° | 108.3° |
| C5 | C6 | O11 | 116.2° | 117.7° |
| C6 | C5 | H4 | 110.9° | 108.9° |
| C5 | C6 | H5 | 106.4° | 106.6° |
| O13 | C12 | O11 | 118.2° | 126.0° |
| C12 | O11 | C6 | 107.5° | 109.5° |
| O11 | C6 | H5 | 108.0° | 106.5° |
| C3 | C15 | H13 | 120.0° | 120.0° |
| C3 | C15 | H14 | 120.0° | 120.0° |
| H1 | C2 | H2 | 109.5° | 110.6° |
| H7 | C8 | H8 | 109.5° | 103.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H12 | 109.5° | 109.4° |
| H11 | C14 | H12 | 109.4° | 109.5° |
| H13 | C15 | H14 | 120.0° | 119.9° |
| H15 | C16 | H16 | 109.5° | 111.7° |
| H17 | C19 | H18 | 109.5° | 111.6° |
| H19 | C20 | H20 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C19 | C18 | H17 | 119.3° | 117.2° |
| C16 | C19 | C18 | H18 | 119.3° | 117.2° |
| C16 | C19 | C18 | C20 | 176.2° | 144.6° |
| C19 | C16 | C4 | H15 | 119.8° | 116.9° |
| C19 | C16 | C4 | H16 | 119.7° | 117.0° |
| C16 | C19 | C18 | C5 | 18.3° | 35.4° |
| C19 | C16 | C4 | C5 | 4.8° | 54.7° |
| C19 | C16 | C4 | C3 | 138.6° | 173.4° |
| C19 | C16 | C4 | H3 | 105.4° | 58.2° |
| C19 | C16 | H15 | H16 | 120.8° | 126.5° |
| C16 | C19 | H17 | H18 | 121.9° | 125.5° |
| C19 | C18 | C20 | C5 | 153.2° | 179.9° |
| C18 | C19 | C16 | C4 | 13.8° | 54.6° |
| C19 | C18 | C5 | C4 | 15.4° | 1.7° |
| C19 | C18 | C5 | C6 | 130.0° | 128.3° |
| C19 | C18 | C5 | H4 | 105.7° | 113.3° |
| C18 | C19 | C16 | H15 | 133.5° | 62.1° |
| C18 | C19 | C16 | H16 | 106.0° | 171.5° |
| C18 | C19 | H17 | H18 | 121.9° | 125.5° |
| C19 | C18 | C20 | H19 | 153.2° | 180.0° |
| C19 | C18 | C20 | H20 | 26.8° | 0.0° |
| C20 | C18 | C5 | C4 | 169.8° | 178.4° |
| C20 | C18 | C5 | C6 | 75.6° | 51.8° |
| C20 | C18 | C5 | H4 | 48.7° | 66.6° |
| C20 | C18 | C19 | H17 | 64.4° | 27.4° |
| C20 | C18 | C19 | H18 | 56.9° | 98.1° |
| C18 | C20 | H19 | H20 | 180.0° | 179.9° |
| C16 | C4 | C5 | C18 | 6.2° | 32.9° |
| C16 | C4 | C3 | C2 | 56.1° | 39.6° |
| C16 | C4 | C5 | C3 | 136.6° | 118.0° |
| C16 | C4 | C5 | H3 | 110.1° | 111.8° |
| C16 | C4 | C3 | H3 | 115.8° | 114.2° |
| C16 | C4 | C5 | C6 | 124.1° | 87.9° |
| C16 | C4 | C3 | C15 | 141.0° | 140.4° |
| C16 | C4 | C5 | H4 | 115.1° | 147.1° |
| C4 | C16 | H15 | H16 | 120.8° | 126.3° |
| C4 | C16 | C19 | H17 | 133.1° | 171.9° |
| C4 | C16 | C19 | H18 | 105.6° | 62.6° |
| C18 | C5 | C6 | C7 | 32.2° | 75.6° |
| C18 | C5 | C4 | C6 | 117.9° | 120.8° |
| C18 | C5 | C4 | H4 | 121.3° | 114.2° |
| C18 | C5 | C4 | C3 | 130.4° | 150.9° |
| C18 | C5 | C6 | H4 | 124.7° | 117.8° |
| C18 | C5 | C6 | O11 | 91.0° | 50.3° |
| C18 | C5 | C4 | H3 | 116.3° | 78.9° |
| C18 | C5 | C6 | H5 | 148.7° | 169.8° |
| C5 | C18 | C19 | H17 | 137.6° | 152.7° |
| C5 | C18 | C19 | H18 | 101.0° | 81.8° |
| C5 | C18 | C20 | H19 | 0.0° | 0.1° |
| C5 | C18 | C20 | H20 | 180.0° | 180.0° |
| C7 | C8 | C2 | H7 | 121.2° | 125.7° |
| C7 | C8 | C2 | H8 | 121.2° | 125.7° |
| C8 | C7 | C9 | C6 | 119.8° | 119.0° |
| C8 | C7 | C9 | H6 | 123.3° | 127.2° |
| C8 | C7 | C6 | H6 | 122.5° | 117.2° |
| C8 | C7 | C9 | C12 | 154.5° | 149.0° |
| C8 | C7 | C9 | C14 | 44.0° | 30.7° |
| C7 | C8 | C2 | C3 | 19.4° | 63.4° |
| C8 | C7 | C6 | C5 | 86.8° | 79.9° |
| C8 | C7 | C6 | O11 | 144.6° | 149.2° |
| C7 | C8 | C2 | H1 | 141.4° | 178.2° |
| C7 | C8 | C2 | H2 | 102.6° | 55.0° |
| C8 | C7 | C6 | H5 | 29.7° | 35.3° |
| C7 | C8 | H7 | H8 | 116.2° | 109.7° |
| C8 | C7 | C9 | H9 | 83.1° | 92.7° |
| C2 | C8 | C7 | C9 | 119.2° | 157.5° |
| C2 | C8 | C7 | C6 | 5.4° | 87.0° |
| C8 | C2 | C3 | H1 | 122.0° | 118.3° |
| C8 | C2 | C3 | H2 | 122.0° | 118.5° |
| C8 | C2 | C3 | C4 | 36.7° | 58.4° |
| C8 | C2 | C3 | C15 | 128.0° | 121.6° |
| C8 | C2 | H1 | H2 | 113.2° | 123.4° |
| C2 | C8 | C7 | H6 | 117.2° | 30.1° |
| C2 | C8 | H7 | H8 | 116.2° | 109.6° |
| C9 | C7 | C6 | H6 | 117.1° | 114.1° |
| C7 | C9 | C12 | C14 | 109.7° | 118.4° |
| C7 | C9 | C12 | H9 | 121.6° | 118.3° |
| C7 | C9 | C14 | H9 | 127.0° | 123.4° |
| C9 | C7 | C6 | C5 | 152.9° | 151.4° |
| C7 | C9 | C12 | O13 | 141.7° | 148.2° |
| C7 | C9 | C12 | O11 | 37.8° | 31.8° |
| C9 | C7 | C6 | O11 | 24.3° | 20.5° |
| C9 | C7 | C6 | H5 | 90.6° | 93.4° |
| C9 | C7 | C8 | H7 | 119.6° | 76.9° |
| C9 | C7 | C8 | H8 | 1.9° | 31.9° |
| C7 | C9 | C14 | H10 | 180.0° | 60.0° |
| C7 | C9 | C14 | H11 | 60.0° | 180.0° |
| C7 | C9 | C14 | H12 | 60.0° | 60.0° |
| C6 | C7 | C9 | C12 | 34.7° | 30.0° |
| C6 | C7 | C9 | C14 | 75.8° | 88.3° |
| C7 | C6 | C5 | C4 | 82.0° | 41.6° |
| C7 | C6 | C5 | O11 | 123.2° | 125.9° |
| C7 | C6 | C5 | H5 | 116.5° | 114.6° |
| C7 | C6 | O11 | C12 | 1.8° | 1.4° |
| C7 | C6 | O11 | H5 | 113.8° | 113.3° |
| C7 | C6 | C5 | H4 | 156.9° | 166.6° |
| C6 | C7 | C8 | H7 | 126.6° | 38.7° |
| C6 | C7 | C8 | H8 | 115.8° | 147.4° |
| C6 | C7 | C9 | H9 | 157.1° | 148.3° |
| C12 | C9 | C14 | H9 | 129.0° | 123.4° |
| C9 | C12 | O13 | O11 | 179.5° | 180.0° |
| C9 | C12 | O11 | C6 | 23.5° | 19.2° |
| C12 | C9 | C7 | H6 | 82.1° | 83.7° |
| C12 | C9 | C14 | H10 | 76.0° | 173.2° |
| C12 | C9 | C14 | H11 | 44.0° | 66.7° |
| C12 | C9 | C14 | H12 | 164.0° | 53.3° |
| C14 | C9 | C12 | O13 | 108.5° | 93.4° |
| C14 | C9 | C12 | O11 | 72.0° | 86.6° |
| C14 | C9 | C7 | H6 | 167.3° | 157.9° |
| C9 | C14 | H10 | H11 | 120.0° | 120.1° |
| C9 | C14 | H10 | H12 | 120.0° | 120.0° |
| C9 | C14 | H11 | H12 | 120.0° | 120.0° |
| C2 | C3 | C4 | C5 | 74.7° | 76.0° |
| C2 | C3 | C4 | C15 | 162.9° | 180.0° |
| C3 | C2 | H1 | H2 | 113.2° | 123.3° |
| C2 | C3 | C4 | H3 | 172.0° | 153.8° |
| C3 | C2 | C8 | H7 | 101.8° | 62.2° |
| C3 | C2 | C8 | H8 | 140.6° | 170.9° |
| C2 | C3 | C15 | H13 | 163.9° | 0.0° |
| C2 | C3 | C15 | H14 | 16.1° | 179.9° |
| C5 | C4 | C3 | H3 | 113.3° | 130.2° |
| C4 | C5 | C6 | H4 | 121.1° | 125.1° |
| C4 | C5 | C6 | O11 | 154.8° | 167.5° |
| C5 | C4 | C3 | C15 | 88.2° | 104.0° |
| C4 | C5 | C6 | H5 | 34.5° | 73.0° |
| C5 | C4 | C16 | H15 | 124.5° | 62.2° |
| C5 | C4 | C16 | H16 | 115.0° | 171.7° |
| C3 | C4 | C5 | C6 | 12.5° | 30.1° |
| C4 | C3 | C2 | H1 | 85.4° | 176.8° |
| C4 | C3 | C2 | H2 | 158.7° | 60.0° |
| C3 | C4 | C5 | H4 | 108.3° | 94.9° |
| C4 | C3 | C15 | H13 | 0.0° | 180.0° |
| C4 | C3 | C15 | H14 | 180.0° | 0.1° |
| C3 | C4 | C16 | H15 | 101.6° | 69.7° |
| C3 | C4 | C16 | H16 | 18.9° | 56.4° |
| C5 | C6 | O11 | C12 | 128.6° | 128.6° |
| C5 | C6 | O11 | H5 | 119.4° | 119.6° |
| C6 | C5 | C4 | H3 | 125.8° | 160.3° |
| C5 | C6 | C7 | H6 | 35.8° | 37.3° |
| O13 | C12 | O11 | C6 | 156.0° | 160.8° |
| O13 | C12 | C9 | H9 | 20.1° | 29.9° |
| C12 | O11 | C6 | H5 | 112.0° | 111.9° |
| O11 | C12 | C9 | H9 | 159.4° | 150.1° |
| O11 | C6 | C5 | H4 | 33.7° | 67.5° |
| O11 | C6 | C7 | H6 | 92.8° | 93.7° |
| C15 | C3 | C2 | H1 | 109.9° | 3.2° |
| C15 | C3 | C2 | H2 | 6.0° | 120.0° |
| C15 | C3 | C4 | H3 | 25.1° | 26.2° |
| C3 | C15 | H13 | H14 | 180.0° | 179.9° |
| H1 | C2 | C8 | H7 | 20.2° | 56.1° |
| H1 | C2 | C8 | H8 | 97.4° | 52.6° |
| H2 | C2 | C8 | H7 | 136.2° | 179.3° |
| H2 | C2 | C8 | H8 | 18.6° | 70.7° |
| H3 | C4 | C5 | H4 | 5.0° | 35.3° |
| H3 | C4 | C16 | H15 | 14.3° | 175.1° |
| H3 | C4 | C16 | H16 | 134.8° | 58.8° |
| H4 | C5 | C6 | H5 | 86.6° | 52.0° |
| H5 | C6 | C7 | H6 | 152.3° | 152.5° |
| H6 | C7 | C8 | H7 | 4.0° | 155.8° |
| H6 | C7 | C8 | H8 | 121.7° | 95.5° |
| H6 | C7 | C9 | H9 | 40.2° | 34.5° |
| H9 | C9 | C14 | H10 | 53.0° | 63.4° |
| H9 | C9 | C14 | H11 | 173.0° | 56.6° |
| H9 | C9 | C14 | H12 | 67.0° | 176.6° |
| H10 | C14 | H11 | H12 | 120.0° | 120.0° |
| H15 | C16 | C19 | H17 | 107.1° | 55.1° |
| H15 | C16 | C19 | H18 | 14.2° | 179.4° |
| H16 | C16 | C19 | H17 | 13.4° | 71.2° |
| H16 | C16 | C19 | H18 | 134.7° | 54.3° |
