A9V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.53Å | 1.49Å | |
| C12 | C13 | sing | 1.53Å | 1.47Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.49Å | |
| C8 | O2 | sing | 1.43Å | 1.42Å | |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C | O | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C15 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| O2 | C7 | sing | 1.36Å | 1.39Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | O1 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| O | H7 | sing | 0.97Å | 0.95Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 109.7° | 109.5° |
| C12 | C11 | C10 | 111.8° | 109.5° |
| C11 | C12 | H19 | 109.4° | 109.4° |
| C11 | C12 | H20 | 109.4° | 109.5° |
| C12 | C11 | H21 | 108.9° | 109.5° |
| C12 | C11 | H22 | 108.9° | 109.5° |
| C12 | C13 | C14 | 110.2° | 109.5° |
| C12 | C13 | H17 | 109.3° | 109.5° |
| C12 | C13 | H18 | 109.3° | 109.5° |
| C13 | C12 | H19 | 109.4° | 109.5° |
| C13 | C12 | H20 | 109.4° | 109.5° |
| C11 | C10 | C9 | 114.2° | 109.5° |
| C10 | C11 | H21 | 108.9° | 109.5° |
| C10 | C11 | H22 | 108.9° | 109.4° |
| C11 | C10 | H23 | 108.3° | 109.4° |
| C11 | C10 | H24 | 108.3° | 109.5° |
| C10 | C9 | C14 | 113.1° | 109.5° |
| C10 | C9 | C8 | 108.1° | 109.5° |
| C10 | C9 | H14 | 108.6° | 109.4° |
| C9 | C10 | H23 | 108.3° | 109.5° |
| C9 | C10 | H24 | 108.3° | 109.5° |
| C13 | C14 | C9 | 115.1° | 109.5° |
| C13 | C14 | H15 | 108.0° | 109.5° |
| C13 | C14 | H16 | 108.0° | 109.4° |
| C14 | C13 | H17 | 109.3° | 109.5° |
| C14 | C13 | H18 | 109.3° | 109.5° |
| C14 | C9 | C8 | 109.2° | 109.5° |
| C14 | C9 | H14 | 108.6° | 109.5° |
| C9 | C14 | H15 | 108.1° | 109.5° |
| C9 | C14 | H16 | 108.1° | 109.5° |
| C9 | C8 | O2 | 108.6° | 109.5° |
| C9 | C8 | H12 | 109.7° | 109.5° |
| C9 | C8 | H13 | 109.7° | 109.5° |
| C8 | C9 | H14 | 109.2° | 109.5° |
| C8 | O2 | C7 | 120.0° | 117.0° |
| O2 | C8 | H12 | 109.7° | 109.5° |
| O2 | C8 | H13 | 109.7° | 109.5° |
| C1 | C | O | 111.0° | 109.5° |
| C | C1 | C2 | 113.3° | 109.5° |
| C | C1 | H3 | 108.5° | 109.5° |
| C | C1 | H4 | 108.5° | 109.4° |
| C1 | C | H5 | 109.1° | 109.5° |
| C1 | C | H6 | 109.1° | 109.4° |
| O | C | H5 | 109.1° | 109.5° |
| O | C | H6 | 109.1° | 109.5° |
| C | O | H7 | 109.5° | 114.0° |
| C1 | C2 | C3 | 109.8° | 109.4° |
| C1 | C2 | O1 | 106.0° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 108.5° | 109.5° |
| C2 | C1 | H4 | 108.5° | 109.5° |
| C7 | C15 | C3 | 120.2° | 119.9° |
| C15 | C7 | O2 | 122.6° | 120.0° |
| C15 | C7 | C6 | 119.8° | 119.9° |
| C7 | C15 | H8 | 119.9° | 120.1° |
| C15 | C3 | C2 | 121.4° | 120.0° |
| C15 | C3 | C4 | 118.6° | 120.1° |
| C3 | C15 | H8 | 119.9° | 120.0° |
| O2 | C7 | C6 | 117.7° | 120.1° |
| C3 | C2 | O1 | 110.7° | 109.5° |
| C2 | C3 | C4 | 120.0° | 119.9° |
| C3 | C2 | H2 | 109.7° | 109.4° |
| C2 | O1 | H1 | 109.5° | 114.0° |
| O1 | C2 | H2 | 111.1° | 109.5° |
| C7 | C6 | C5 | 119.6° | 120.0° |
| C7 | C6 | H9 | 120.2° | 120.0° |
| C3 | C4 | C5 | 120.8° | 120.1° |
| C3 | C4 | H11 | 119.6° | 120.0° |
| C6 | C5 | C4 | 121.1° | 120.1° |
| C5 | C6 | H9 | 120.2° | 120.0° |
| C6 | C5 | H10 | 119.5° | 120.0° |
| C4 | C5 | H10 | 119.5° | 120.0° |
| C5 | C4 | H11 | 119.6° | 119.9° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H5 | C | H6 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.4° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.4° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| H21 | C11 | H22 | 109.5° | 109.4° |
| H23 | C10 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H19 | 120.0° | 120.0° |
| C11 | C12 | C13 | H20 | 120.0° | 120.0° |
| C12 | C11 | C10 | H21 | 120.3° | 120.0° |
| C12 | C11 | C10 | H22 | 120.4° | 120.0° |
| C12 | C11 | C10 | C9 | 49.2° | 60.0° |
| C11 | C12 | C13 | C14 | 63.0° | 60.0° |
| C11 | C12 | C13 | H17 | 176.9° | 60.1° |
| C11 | C12 | C13 | H18 | 57.1° | 180.0° |
| C11 | C12 | H19 | H20 | 119.9° | 119.9° |
| C12 | C11 | H21 | H22 | 118.9° | 120.0° |
| C12 | C11 | C10 | H23 | 169.9° | 60.0° |
| C12 | C11 | C10 | H24 | 71.5° | 180.0° |
| C13 | C12 | C11 | C10 | 62.3° | 60.0° |
| C12 | C13 | C14 | H17 | 120.1° | 120.0° |
| C12 | C13 | C14 | H18 | 120.1° | 120.1° |
| C12 | C13 | C14 | C9 | 52.1° | 60.0° |
| C12 | C13 | C14 | H15 | 68.7° | 180.0° |
| C12 | C13 | C14 | H16 | 172.9° | 60.0° |
| C12 | C13 | H17 | H18 | 119.7° | 120.0° |
| C13 | C12 | H19 | H20 | 119.9° | 120.0° |
| C13 | C12 | C11 | H21 | 58.0° | 60.1° |
| C13 | C12 | C11 | H22 | 177.3° | 180.0° |
| C11 | C10 | C9 | H23 | 120.7° | 120.0° |
| C11 | C10 | C9 | H24 | 120.7° | 120.1° |
| C11 | C10 | C9 | C14 | 37.1° | 60.0° |
| C11 | C10 | C9 | C8 | 158.1° | 180.0° |
| C11 | C10 | C9 | H14 | 83.5° | 60.0° |
| C10 | C11 | C12 | H19 | 57.7° | 180.0° |
| C10 | C11 | C12 | H20 | 177.6° | 60.0° |
| C10 | C11 | H21 | H22 | 118.9° | 119.9° |
| C11 | C10 | H23 | H24 | 117.8° | 120.0° |
| C10 | C9 | C14 | C13 | 38.9° | 59.9° |
| C10 | C9 | C14 | C8 | 120.4° | 120.0° |
| C10 | C9 | C14 | H14 | 120.6° | 119.9° |
| C10 | C9 | C8 | H14 | 118.0° | 119.9° |
| C10 | C9 | C8 | O2 | 147.5° | 65.0° |
| C10 | C9 | C8 | H12 | 27.6° | 175.0° |
| C10 | C9 | C8 | H13 | 92.7° | 55.1° |
| C10 | C9 | C14 | H15 | 81.9° | 179.9° |
| C10 | C9 | C14 | H16 | 159.7° | 60.0° |
| C9 | C10 | C11 | H21 | 71.1° | 60.1° |
| C9 | C10 | C11 | H22 | 169.6° | 180.0° |
| C9 | C10 | H23 | H24 | 117.8° | 120.0° |
| C13 | C14 | C9 | H15 | 120.8° | 120.0° |
| C13 | C14 | C9 | H16 | 120.8° | 120.0° |
| C13 | C14 | C9 | C8 | 159.3° | 180.0° |
| C13 | C14 | C9 | H14 | 81.7° | 60.0° |
| C13 | C14 | H15 | H16 | 117.4° | 120.0° |
| C14 | C13 | H17 | H18 | 119.7° | 120.0° |
| C14 | C13 | C12 | H19 | 57.1° | 180.0° |
| C14 | C13 | C12 | H20 | 177.0° | 60.0° |
| C14 | C9 | C8 | H14 | 118.6° | 120.0° |
| C14 | C9 | C8 | O2 | 89.2° | 175.0° |
| C14 | C9 | C8 | H12 | 151.0° | 55.0° |
| C14 | C9 | C8 | H13 | 30.7° | 65.0° |
| C9 | C14 | H15 | H16 | 117.5° | 120.0° |
| C9 | C14 | C13 | H17 | 172.2° | 60.1° |
| C9 | C14 | C13 | H18 | 68.0° | 180.0° |
| C14 | C9 | C10 | H23 | 157.8° | 60.0° |
| C14 | C9 | C10 | H24 | 83.6° | 180.0° |
| C9 | C8 | O2 | H12 | 119.9° | 120.0° |
| C9 | C8 | O2 | H13 | 119.8° | 120.0° |
| C9 | C8 | O2 | C7 | 134.6° | 180.0° |
| C9 | C8 | H12 | H13 | 120.4° | 120.0° |
| C8 | C9 | C14 | H15 | 38.5° | 60.0° |
| C8 | C9 | C14 | H16 | 79.9° | 60.0° |
| C8 | C9 | C10 | H23 | 81.2° | 60.0° |
| C8 | C9 | C10 | H24 | 37.4° | 59.9° |
| C8 | O2 | C7 | C15 | 0.8° | 179.9° |
| C8 | O2 | C7 | C6 | 178.9° | 0.1° |
| O2 | C8 | H12 | H13 | 120.4° | 120.0° |
| O2 | C8 | C9 | H14 | 29.5° | 54.9° |
| C1 | C | O | H5 | 120.2° | 120.0° |
| C1 | C | O | H6 | 120.2° | 119.9° |
| C | C1 | C2 | H3 | 120.6° | 120.0° |
| C | C1 | C2 | H4 | 120.5° | 119.9° |
| C | C1 | C2 | C3 | 179.7° | 175.0° |
| C | C1 | C2 | O1 | 60.2° | 65.0° |
| C | C1 | C2 | H2 | 59.8° | 55.1° |
| C | C1 | H3 | H4 | 118.2° | 120.0° |
| C1 | C | H5 | H6 | 119.3° | 120.0° |
| C1 | C | O | H7 | 180.0° | 180.0° |
| O | C | C1 | C2 | 77.9° | 180.0° |
| O | C | C1 | H3 | 42.7° | 60.0° |
| O | C | C1 | H4 | 161.6° | 60.0° |
| O | C | H5 | H6 | 119.3° | 120.0° |
| C1 | C2 | C3 | C15 | 76.9° | 100.3° |
| C1 | C2 | C3 | O1 | 116.7° | 120.0° |
| C1 | C2 | C3 | H2 | 120.4° | 120.0° |
| C1 | C2 | O1 | H2 | 118.9° | 120.1° |
| C1 | C2 | C3 | C4 | 103.1° | 80.1° |
| C1 | C2 | O1 | H1 | 180.0° | 59.9° |
| C2 | C1 | H3 | H4 | 118.3° | 120.0° |
| C2 | C1 | C | H5 | 42.3° | 60.0° |
| C2 | C1 | C | H6 | 161.9° | 60.0° |
| C7 | C15 | C3 | H8 | 180.0° | 179.9° |
| C15 | C7 | O2 | C6 | 179.6° | 179.9° |
| C7 | C15 | C3 | C2 | 178.0° | 179.9° |
| C7 | C15 | C3 | C4 | 2.0° | 0.2° |
| C15 | C7 | C6 | C5 | 1.5° | 0.1° |
| C15 | C7 | C6 | H9 | 178.4° | 180.0° |
| C3 | C15 | C7 | O2 | 177.5° | 180.0° |
| C15 | C3 | C2 | C4 | 180.0° | 179.7° |
| C15 | C3 | C2 | O1 | 166.4° | 139.7° |
| C3 | C15 | C7 | C6 | 2.9° | 0.1° |
| C15 | C3 | C4 | C5 | 0.1° | 0.5° |
| C15 | C3 | C2 | H2 | 43.5° | 19.7° |
| C15 | C3 | C4 | H11 | 179.9° | 179.7° |
| O2 | C7 | C6 | C5 | 178.8° | 180.0° |
| O2 | C7 | C15 | H8 | 2.5° | 0.1° |
| O2 | C7 | C6 | H9 | 1.2° | 0.1° |
| C7 | O2 | C8 | H12 | 105.6° | 60.0° |
| C7 | O2 | C8 | H13 | 14.7° | 60.0° |
| C3 | C2 | O1 | H2 | 122.1° | 120.0° |
| C2 | C3 | C4 | C5 | 180.0° | 179.8° |
| C3 | C2 | O1 | H1 | 61.0° | 60.0° |
| C3 | C2 | C1 | H3 | 59.2° | 55.0° |
| C3 | C2 | C1 | H4 | 59.7° | 65.1° |
| C2 | C3 | C15 | H8 | 2.0° | 0.0° |
| C2 | C3 | C4 | H11 | 0.0° | 0.1° |
| O1 | C2 | C3 | C4 | 13.6° | 39.9° |
| O1 | C2 | C1 | H3 | 60.4° | 175.0° |
| O1 | C2 | C1 | H4 | 179.3° | 54.9° |
| C7 | C6 | C5 | H9 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.6° | 0.2° |
| C6 | C7 | C15 | H8 | 177.2° | 180.0° |
| C7 | C6 | C5 | H10 | 179.4° | 179.9° |
| C3 | C4 | C5 | C6 | 1.4° | 0.5° |
| C3 | C4 | C5 | H11 | 180.0° | 179.7° |
| C4 | C3 | C2 | H2 | 136.5° | 160.0° |
| C4 | C3 | C15 | H8 | 178.0° | 179.7° |
| C3 | C4 | C5 | H10 | 178.6° | 179.8° |
| C6 | C5 | C4 | H10 | 180.0° | 179.7° |
| C6 | C5 | C4 | H11 | 178.6° | 179.7° |
| C4 | C5 | C6 | H9 | 179.4° | 179.7° |
| H1 | O1 | C2 | H2 | 61.1° | 180.0° |
| H2 | C2 | C1 | H3 | 179.6° | 64.9° |
| H2 | C2 | C1 | H4 | 60.7° | 175.0° |
| H3 | C1 | C | H5 | 162.9° | 180.0° |
| H3 | C1 | C | H6 | 77.5° | 60.0° |
| H4 | C1 | C | H5 | 78.2° | 60.0° |
| H4 | C1 | C | H6 | 41.3° | 180.0° |
| H5 | C | O | H7 | 59.8° | 60.0° |
| H6 | C | O | H7 | 59.8° | 60.1° |
| H9 | C6 | C5 | H10 | 0.6° | 0.0° |
| H10 | C5 | C4 | H11 | 1.4° | 0.0° |
| H12 | C8 | C9 | H14 | 90.4° | 65.1° |
| H13 | C8 | C9 | H14 | 149.3° | 175.0° |
| H14 | C9 | C14 | H15 | 157.5° | 60.0° |
| H14 | C9 | C14 | H16 | 39.1° | 180.0° |
| H14 | C9 | C10 | H23 | 37.2° | 180.0° |
| H14 | C9 | C10 | H24 | 155.8° | 60.1° |
| H15 | C14 | C13 | H17 | 51.4° | 59.9° |
| H15 | C14 | C13 | H18 | 171.2° | 60.0° |
| H16 | C14 | C13 | H17 | 66.9° | 180.0° |
| H16 | C14 | C13 | H18 | 52.8° | 60.1° |
| H17 | C13 | C12 | H19 | 63.0° | 59.9° |
| H17 | C13 | C12 | H20 | 56.9° | 179.9° |
| H18 | C13 | C12 | H19 | 177.2° | 60.0° |
| H18 | C13 | C12 | H20 | 62.9° | 60.0° |
| H19 | C12 | C11 | H21 | 178.0° | 60.0° |
| H19 | C12 | C11 | H22 | 62.7° | 60.0° |
| H20 | C12 | C11 | H21 | 62.0° | 179.9° |
| H20 | C12 | C11 | H22 | 57.3° | 60.0° |
| H21 | C11 | C10 | H23 | 49.6° | 179.9° |
| H21 | C11 | C10 | H24 | 168.2° | 60.0° |
| H22 | C11 | C10 | H23 | 69.7° | 60.0° |
| H22 | C11 | C10 | H24 | 48.9° | 60.0° |
