08V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | O21 | sing | 1.43Å | 1.43Å | |
| O21 | C16 | sing | 1.36Å | 1.39Å | |
| C24 | O23 | sing | 1.43Å | 1.44Å | |
| C16 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.45Å | Aromatic |
| O23 | C08 | sing | 1.36Å | 1.39Å | |
| C15 | C14 | sing | 1.39Å | 1.45Å | Aromatic |
| O19 | C17 | sing | 1.36Å | 1.36Å | |
| O19 | C20 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| O25 | C26 | sing | 1.43Å | 1.42Å | |
| O25 | C07 | sing | 1.36Å | 1.37Å | |
| C08 | C07 | doub | 1.39Å | 1.44Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.45Å | Aromatic |
| C14 | C09 | sing | 1.48Å | 1.57Å | |
| C14 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.42Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.45Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.43Å | Aromatic |
| C13 | C12 | sing | 1.50Å | 1.53Å | |
| C06 | C05 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C05 | sing | 1.38Å | 1.43Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C05 | C04 | sing | 1.50Å | 1.55Å | |
| C11 | C12 | sing | 1.53Å | 1.61Å | |
| C11 | N02 | sing | 1.47Å | 1.50Å | |
| C04 | C03 | sing | 1.52Å | 1.52Å | |
| C03 | N02 | sing | 1.46Å | 1.53Å | |
| N02 | C01 | sing | 1.47Å | 1.51Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | O21 | C16 | 117.2° | 117.0° |
| O21 | C22 | H17 | 109.5° | 109.5° |
| O21 | C22 | H18 | 109.5° | 109.5° |
| O21 | C22 | H19 | 109.4° | 109.5° |
| O21 | C16 | C15 | 120.9° | 120.0° |
| O21 | C16 | C17 | 122.5° | 120.0° |
| C24 | O23 | C08 | 117.8° | 117.0° |
| O23 | C24 | H20 | 109.5° | 109.4° |
| O23 | C24 | H21 | 109.4° | 109.4° |
| O23 | C24 | H22 | 109.5° | 109.5° |
| C15 | C16 | C17 | 116.5° | 119.9° |
| C16 | C15 | C14 | 124.1° | 119.7° |
| C16 | C15 | H12 | 117.9° | 120.2° |
| C16 | C17 | O19 | 119.9° | 119.9° |
| C16 | C17 | C18 | 118.6° | 120.2° |
| O23 | C08 | C07 | 115.1° | 120.3° |
| O23 | C08 | C09 | 124.0° | 120.2° |
| C15 | C14 | C09 | 120.9° | 120.6° |
| C15 | C14 | C13 | 119.1° | 120.1° |
| C14 | C15 | H12 | 117.9° | 120.1° |
| C17 | O19 | C20 | 119.6° | 117.0° |
| O19 | C17 | C18 | 121.5° | 119.9° |
| O19 | C20 | H14 | 109.5° | 109.5° |
| O19 | C20 | H15 | 109.5° | 109.4° |
| O19 | C20 | H16 | 109.4° | 109.4° |
| C17 | C18 | C13 | 125.3° | 120.0° |
| C17 | C18 | H13 | 117.3° | 120.0° |
| C26 | O25 | C07 | 118.9° | 117.0° |
| O25 | C26 | H23 | 109.5° | 109.5° |
| O25 | C26 | H24 | 109.5° | 109.4° |
| O25 | C26 | H25 | 109.5° | 109.5° |
| O25 | C07 | C08 | 121.1° | 120.1° |
| O25 | C07 | C06 | 123.5° | 120.1° |
| C07 | C08 | C09 | 120.9° | 119.5° |
| C08 | C07 | C06 | 115.5° | 119.8° |
| C08 | C09 | C14 | 121.7° | 120.4° |
| C08 | C09 | C10 | 122.9° | 120.3° |
| C09 | C14 | C13 | 120.1° | 119.2° |
| C14 | C09 | C10 | 115.5° | 119.2° |
| C14 | C13 | C18 | 116.4° | 119.9° |
| C14 | C13 | C12 | 120.4° | 119.6° |
| C07 | C06 | C05 | 123.5° | 120.8° |
| C07 | C06 | H8 | 118.3° | 119.6° |
| C09 | C10 | C05 | 113.9° | 119.8° |
| C09 | C10 | C11 | 122.8° | 119.3° |
| C18 | C13 | C12 | 123.1° | 120.5° |
| C13 | C18 | H13 | 117.3° | 120.0° |
| C13 | C12 | C11 | 110.9° | 110.6° |
| C13 | C12 | H10 | 109.1° | 109.2° |
| C13 | C12 | H11 | 109.1° | 109.3° |
| C06 | C05 | C10 | 123.4° | 119.8° |
| C06 | C05 | C04 | 119.0° | 118.0° |
| C05 | C06 | H8 | 118.3° | 119.6° |
| C05 | C10 | C11 | 123.4° | 120.9° |
| C10 | C05 | C04 | 117.5° | 122.3° |
| C10 | C11 | C12 | 111.3° | 110.9° |
| C10 | C11 | N02 | 112.1° | 109.2° |
| C10 | C11 | H9 | 105.8° | 109.4° |
| C05 | C04 | C03 | 116.2° | 112.4° |
| C05 | C04 | H6 | 107.8° | 108.9° |
| C05 | C04 | H7 | 107.8° | 108.8° |
| C12 | C11 | N02 | 116.2° | 108.9° |
| C12 | C11 | H9 | 104.7° | 109.4° |
| C11 | C12 | H10 | 109.1° | 109.2° |
| C11 | C12 | H11 | 109.1° | 109.3° |
| C11 | N02 | C03 | 113.9° | 110.8° |
| C11 | N02 | C01 | 109.1° | 111.0° |
| N02 | C11 | H9 | 105.8° | 109.0° |
| C04 | C03 | N02 | 106.0° | 110.8° |
| C04 | C03 | H4 | 110.3° | 109.2° |
| C04 | C03 | H5 | 110.3° | 109.1° |
| C03 | C04 | H6 | 107.8° | 108.9° |
| C03 | C04 | H7 | 107.8° | 108.9° |
| C03 | N02 | C01 | 103.6° | 111.0° |
| N02 | C03 | H4 | 110.3° | 109.3° |
| N02 | C03 | H5 | 110.3° | 109.2° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C03 | H5 | 109.5° | 109.2° |
| H6 | C04 | H7 | 109.5° | 108.9° |
| H10 | C12 | H11 | 109.4° | 109.2° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H14 | C20 | H16 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.4° |
| H17 | C22 | H19 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.4° | 109.5° |
| H20 | C24 | H22 | 109.5° | 109.5° |
| H21 | C24 | H22 | 109.5° | 109.4° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H23 | C26 | H25 | 109.4° | 109.5° |
| H24 | C26 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | O21 | C16 | C15 | 10.3° | 0.1° |
| C22 | O21 | C16 | C17 | 169.6° | 179.9° |
| O21 | C22 | H17 | H18 | 120.0° | 120.0° |
| O21 | C22 | H17 | H19 | 120.0° | 120.1° |
| O21 | C22 | H18 | H19 | 119.9° | 120.0° |
| O21 | C16 | C15 | C17 | 180.0° | 180.0° |
| O21 | C16 | C15 | C14 | 179.1° | 179.9° |
| O21 | C16 | C17 | O19 | 0.3° | 0.4° |
| O21 | C16 | C17 | C18 | 179.8° | 179.6° |
| O21 | C16 | C15 | H12 | 0.9° | 0.1° |
| C16 | O21 | C22 | H17 | 180.0° | 59.9° |
| C16 | O21 | C22 | H18 | 60.0° | 60.0° |
| C16 | O21 | C22 | H19 | 60.0° | 180.0° |
| C24 | O23 | C08 | C07 | 68.9° | 84.3° |
| C24 | O23 | C08 | C09 | 110.8° | 95.7° |
| O23 | C24 | H20 | H21 | 120.0° | 120.0° |
| O23 | C24 | H20 | H22 | 120.0° | 120.0° |
| O23 | C24 | H21 | H22 | 120.0° | 120.0° |
| C16 | C15 | C14 | H12 | 180.0° | 179.9° |
| C15 | C16 | C17 | O19 | 179.8° | 179.6° |
| C15 | C16 | C17 | C18 | 0.2° | 0.4° |
| C16 | C15 | C14 | C09 | 178.8° | 179.2° |
| C16 | C15 | C14 | C13 | 0.5° | 0.6° |
| C17 | C16 | C15 | C14 | 0.8° | 0.1° |
| C16 | C17 | O19 | C18 | 179.5° | 180.0° |
| C16 | C17 | O19 | C20 | 165.6° | 180.0° |
| C16 | C17 | C18 | C13 | 1.7° | 0.1° |
| C17 | C16 | C15 | H12 | 179.2° | 180.0° |
| C16 | C17 | C18 | H13 | 178.2° | 180.0° |
| O23 | C08 | C07 | O25 | 1.0° | 0.4° |
| O23 | C08 | C07 | C09 | 179.7° | 180.0° |
| O23 | C08 | C09 | C14 | 0.2° | 0.2° |
| O23 | C08 | C07 | C06 | 179.9° | 179.7° |
| O23 | C08 | C09 | C10 | 179.6° | 179.3° |
| C08 | O23 | C24 | H20 | 180.0° | 55.0° |
| C08 | O23 | C24 | H21 | 60.0° | 65.0° |
| C08 | O23 | C24 | H22 | 60.0° | 175.0° |
| C15 | C14 | C09 | C08 | 21.8° | 17.3° |
| C15 | C14 | C09 | C13 | 178.3° | 179.8° |
| C15 | C14 | C09 | C10 | 157.7° | 161.8° |
| C15 | C14 | C13 | C18 | 0.9° | 1.0° |
| C15 | C14 | C13 | C12 | 177.2° | 178.8° |
| O19 | C17 | C18 | C13 | 178.7° | 179.9° |
| O19 | C17 | C18 | H13 | 1.3° | 0.0° |
| C17 | O19 | C20 | H14 | 180.0° | 180.0° |
| C17 | O19 | C20 | H15 | 60.0° | 60.0° |
| C17 | O19 | C20 | H16 | 60.0° | 60.0° |
| C20 | O19 | C17 | C18 | 13.9° | 0.0° |
| O19 | C20 | H14 | H15 | 120.0° | 120.0° |
| O19 | C20 | H14 | H16 | 120.0° | 120.0° |
| O19 | C20 | H15 | H16 | 120.0° | 119.9° |
| C17 | C18 | C13 | C14 | 2.1° | 0.6° |
| C17 | C18 | C13 | H13 | 180.0° | 179.9° |
| C17 | C18 | C13 | C12 | 178.3° | 179.1° |
| C26 | O25 | C07 | C08 | 159.2° | 180.0° |
| C26 | O25 | C07 | C06 | 19.6° | 0.0° |
| O25 | C26 | H23 | H24 | 120.0° | 119.9° |
| O25 | C26 | H23 | H25 | 120.0° | 120.0° |
| O25 | C26 | H24 | H25 | 120.0° | 120.0° |
| O25 | C07 | C08 | C06 | 178.9° | 179.9° |
| O25 | C07 | C08 | C09 | 179.3° | 179.6° |
| O25 | C07 | C06 | C05 | 179.9° | 179.8° |
| O25 | C07 | C06 | H8 | 0.1° | 0.2° |
| C07 | O25 | C26 | H23 | 180.0° | 60.0° |
| C07 | O25 | C26 | H24 | 60.0° | 180.0° |
| C07 | O25 | C26 | H25 | 60.0° | 60.0° |
| C07 | C08 | C09 | C14 | 179.4° | 179.8° |
| C07 | C08 | C09 | C10 | 0.1° | 0.7° |
| C08 | C07 | C06 | C05 | 1.2° | 0.2° |
| C08 | C07 | C06 | H8 | 178.8° | 179.7° |
| C08 | C09 | C14 | C10 | 179.4° | 179.1° |
| C08 | C09 | C14 | C13 | 159.9° | 162.9° |
| C09 | C08 | C07 | C06 | 0.4° | 0.3° |
| C08 | C09 | C10 | C05 | 0.2° | 0.5° |
| C08 | C09 | C10 | C11 | 178.8° | 178.4° |
| C09 | C14 | C13 | C18 | 177.4° | 178.8° |
| C09 | C14 | C13 | C12 | 1.2° | 1.4° |
| C14 | C09 | C10 | C05 | 179.2° | 179.6° |
| C14 | C09 | C10 | C11 | 1.8° | 0.7° |
| C09 | C14 | C15 | H12 | 1.2° | 1.0° |
| C13 | C14 | C09 | C10 | 20.7° | 18.0° |
| C14 | C13 | C18 | C12 | 176.2° | 179.7° |
| C14 | C13 | C12 | C11 | 33.4° | 36.4° |
| C14 | C13 | C12 | H10 | 86.8° | 156.6° |
| C14 | C13 | C12 | H11 | 153.6° | 83.9° |
| C13 | C14 | C15 | H12 | 179.6° | 179.3° |
| C14 | C13 | C18 | H13 | 177.9° | 179.3° |
| C07 | C06 | C05 | H8 | 180.0° | 180.0° |
| C07 | C06 | C05 | C10 | 1.6° | 0.5° |
| C07 | C06 | C05 | C04 | 179.0° | 179.1° |
| C09 | C10 | C05 | C06 | 1.0° | 0.1° |
| C09 | C10 | C05 | C11 | 179.0° | 178.9° |
| C09 | C10 | C05 | C04 | 178.4° | 179.4° |
| C09 | C10 | C11 | C12 | 32.5° | 35.7° |
| C09 | C10 | C11 | N02 | 164.5° | 155.7° |
| C09 | C10 | C11 | H9 | 80.7° | 85.1° |
| C18 | C13 | C12 | C11 | 142.6° | 143.9° |
| C18 | C13 | C12 | H10 | 97.2° | 23.7° |
| C18 | C13 | C12 | H11 | 22.4° | 95.8° |
| C13 | C12 | C11 | C10 | 48.7° | 51.7° |
| C13 | C12 | C11 | H10 | 120.2° | 120.3° |
| C13 | C12 | C11 | H11 | 120.2° | 120.3° |
| C13 | C12 | C11 | N02 | 178.6° | 171.9° |
| C13 | C12 | C11 | H9 | 65.1° | 69.0° |
| C13 | C12 | H10 | H11 | 119.3° | 119.5° |
| C12 | C13 | C18 | H13 | 1.7° | 0.9° |
| C06 | C05 | C10 | C04 | 177.4° | 179.5° |
| C06 | C05 | C10 | C11 | 178.0° | 179.0° |
| C06 | C05 | C04 | C03 | 163.2° | 172.9° |
| C06 | C05 | C04 | H6 | 42.2° | 66.3° |
| C06 | C05 | C04 | H7 | 75.8° | 52.2° |
| C05 | C10 | C11 | C12 | 146.5° | 145.4° |
| C05 | C10 | C11 | N02 | 14.4° | 25.4° |
| C10 | C05 | C04 | C03 | 19.3° | 6.6° |
| C10 | C05 | C04 | H6 | 140.3° | 114.1° |
| C10 | C05 | C04 | H7 | 101.7° | 127.3° |
| C10 | C05 | C06 | H8 | 178.4° | 179.5° |
| C05 | C10 | C11 | H9 | 100.4° | 93.8° |
| C11 | C10 | C05 | C04 | 0.6° | 0.5° |
| C10 | C11 | C12 | N02 | 129.9° | 120.2° |
| C10 | C11 | C12 | H9 | 113.8° | 120.8° |
| C10 | C11 | N02 | H9 | 114.8° | 119.4° |
| C10 | C11 | N02 | C03 | 47.6° | 58.1° |
| C10 | C11 | N02 | C01 | 67.5° | 65.8° |
| C10 | C11 | C12 | H10 | 71.5° | 172.0° |
| C10 | C11 | C12 | H11 | 168.9° | 68.6° |
| C05 | C04 | C03 | H6 | 121.0° | 120.7° |
| C05 | C04 | C03 | H7 | 121.0° | 120.7° |
| C05 | C04 | C03 | N02 | 48.4° | 38.2° |
| C05 | C04 | C03 | H4 | 71.0° | 82.2° |
| C05 | C04 | C03 | H5 | 167.9° | 158.5° |
| C05 | C04 | H6 | H7 | 117.0° | 118.5° |
| C04 | C05 | C06 | H8 | 1.0° | 0.9° |
| C12 | C11 | N02 | H9 | 115.7° | 119.3° |
| C12 | C11 | N02 | C03 | 177.2° | 179.4° |
| C12 | C11 | N02 | C01 | 62.0° | 55.5° |
| C11 | C12 | H10 | H11 | 119.3° | 119.5° |
| C11 | N02 | C03 | C04 | 64.3° | 66.5° |
| C11 | N02 | C03 | C01 | 118.3° | 123.8° |
| C11 | N02 | C01 | H1 | 180.0° | 59.8° |
| C11 | N02 | C01 | H2 | 60.0° | 60.2° |
| C11 | N02 | C01 | H3 | 60.0° | 179.8° |
| C11 | N02 | C03 | H4 | 55.1° | 53.9° |
| C11 | N02 | C03 | H5 | 176.3° | 173.3° |
| N02 | C11 | C12 | H10 | 58.4° | 67.8° |
| N02 | C11 | C12 | H11 | 61.2° | 51.6° |
| C04 | C03 | N02 | H4 | 119.4° | 120.3° |
| C04 | C03 | N02 | H5 | 119.4° | 120.2° |
| C04 | C03 | N02 | C01 | 54.0° | 57.4° |
| C04 | C03 | H4 | H5 | 121.6° | 119.3° |
| C03 | C04 | H6 | H7 | 116.9° | 118.7° |
| C03 | N02 | C01 | H1 | 58.4° | 64.0° |
| C03 | N02 | C01 | H2 | 61.6° | 176.0° |
| C03 | N02 | C01 | H3 | 178.4° | 56.1° |
| N02 | C03 | H4 | H5 | 121.6° | 119.4° |
| N02 | C03 | C04 | H6 | 169.4° | 82.5° |
| N02 | C03 | C04 | H7 | 72.6° | 158.9° |
| C03 | N02 | C11 | H9 | 67.2° | 61.3° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H4 | 173.5° | 177.7° |
| C01 | N02 | C03 | H5 | 65.4° | 62.9° |
| C01 | N02 | C11 | H9 | 177.7° | 174.8° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H4 | C03 | C04 | H6 | 50.0° | 157.1° |
| H4 | C03 | C04 | H7 | 168.0° | 38.5° |
| H5 | C03 | C04 | H6 | 71.2° | 37.8° |
| H5 | C03 | C04 | H7 | 46.9° | 80.9° |
| H9 | C11 | C12 | H10 | 174.6° | 51.2° |
| H9 | C11 | C12 | H11 | 55.1° | 170.7° |
| H14 | C20 | H15 | H16 | 120.0° | 120.1° |
| H17 | C22 | H18 | H19 | 120.0° | 120.0° |
| H20 | C24 | H21 | H22 | 120.0° | 120.1° |
| H23 | C26 | H24 | H25 | 120.0° | 120.0° |
