2VP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C9 | sing | 1.51Å | 1.53Å | |
| C10 | C9 | doub | 1.36Å | 1.38Å | |
| C10 | C11 | sing | 1.40Å | 1.47Å | |
| C12 | C11 | doub | 1.37Å | 1.40Å | |
| C12 | C13 | sing | 1.40Å | 1.46Å | |
| C9 | C8 | sing | 1.41Å | 1.48Å | |
| C14 | C13 | doub | 1.36Å | 1.40Å | |
| C14 | C15 | sing | 1.41Å | 1.46Å | |
| C13 | C20 | sing | 1.51Å | 1.53Å | |
| O2 | C15 | doub | 1.22Å | 1.25Å | |
| C2' | C1' | sing | 1.53Å | 1.53Å | |
| C2' | C7 | sing | 1.51Å | 1.54Å | |
| C15 | O1 | sing | 1.35Å | 1.25Å | |
| C8 | C7 | doub | 1.35Å | 1.38Å | |
| C1' | C18 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.47Å | 1.45Å | |
| C18 | C5 | sing | 1.50Å | 1.52Å | |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C7' | sing | 1.51Å | 1.53Å | |
| C2' | H1 | sing | 1.09Å | 1.10Å | |
| C2' | H2 | sing | 1.09Å | 1.10Å | |
| C1' | H3 | sing | 1.09Å | 1.10Å | |
| C1' | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C7' | H9 | sing | 1.09Å | 1.10Å | |
| C7' | H10 | sing | 1.09Å | 1.10Å | |
| C7' | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| O1 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C9 | C10 | 119.3° | 120.0° |
| C19 | C9 | C8 | 119.0° | 120.0° |
| C9 | C19 | H14 | 109.5° | 109.5° |
| C9 | C19 | H15 | 109.5° | 109.4° |
| C9 | C19 | H16 | 109.5° | 109.4° |
| C9 | C10 | C11 | 123.3° | 120.0° |
| C10 | C9 | C8 | 121.7° | 120.0° |
| C9 | C10 | H17 | 118.3° | 120.0° |
| C10 | C11 | C12 | 119.9° | 120.0° |
| C11 | C10 | H17 | 118.3° | 120.0° |
| C10 | C11 | H18 | 120.0° | 120.1° |
| C11 | C12 | C13 | 121.1° | 120.0° |
| C12 | C11 | H18 | 120.1° | 119.9° |
| C11 | C12 | H19 | 119.5° | 119.9° |
| C12 | C13 | C14 | 117.9° | 120.0° |
| C12 | C13 | C20 | 120.4° | 120.0° |
| C13 | C12 | H19 | 119.4° | 120.0° |
| C9 | C8 | C7 | 123.2° | 120.0° |
| C9 | C8 | H13 | 118.4° | 119.9° |
| C13 | C14 | C15 | 124.7° | 120.0° |
| C14 | C13 | C20 | 121.6° | 120.0° |
| C13 | C14 | H23 | 117.6° | 120.0° |
| C14 | C15 | O2 | 116.6° | 120.0° |
| C14 | C15 | O1 | 119.6° | 120.0° |
| C15 | C14 | H23 | 117.7° | 120.0° |
| C13 | C20 | H20 | 109.5° | 109.5° |
| C13 | C20 | H21 | 109.5° | 109.4° |
| C13 | C20 | H22 | 109.5° | 109.4° |
| O2 | C15 | O1 | 123.8° | 120.0° |
| C1' | C2' | C7 | 112.4° | 107.4° |
| C2' | C1' | C18 | 113.5° | 109.4° |
| C1' | C2' | H1 | 108.7° | 109.9° |
| C1' | C2' | H2 | 108.7° | 109.9° |
| C2' | C1' | H3 | 108.5° | 109.5° |
| C2' | C1' | H4 | 108.5° | 109.5° |
| C2' | C7 | C8 | 118.6° | 121.2° |
| C2' | C7 | C6 | 122.5° | 117.7° |
| C7 | C2' | H1 | 108.8° | 109.9° |
| C7 | C2' | H2 | 108.8° | 109.9° |
| C15 | O1 | H24 | 109.5° | 114.0° |
| C8 | C7 | C6 | 118.8° | 121.2° |
| C7 | C8 | H13 | 118.4° | 120.0° |
| C1' | C18 | C5 | 112.5° | 111.2° |
| C18 | C1' | H3 | 108.5° | 109.5° |
| C18 | C1' | H4 | 108.5° | 109.5° |
| C1' | C18 | H5 | 108.7° | 109.1° |
| C1' | C18 | H6 | 108.7° | 109.1° |
| C7 | C6 | C5 | 118.3° | 120.1° |
| C7 | C6 | C1 | 122.0° | 119.7° |
| C18 | C5 | C6 | 122.8° | 121.6° |
| C18 | C5 | C4 | 118.3° | 119.1° |
| C5 | C18 | H5 | 108.7° | 109.2° |
| C5 | C18 | H6 | 108.7° | 109.2° |
| C5 | C6 | C1 | 119.7° | 120.1° |
| C6 | C5 | C4 | 119.0° | 119.3° |
| C6 | C1 | C2 | 121.0° | 119.7° |
| C6 | C1 | H12 | 119.5° | 120.1° |
| C5 | C4 | C3 | 121.1° | 120.3° |
| C5 | C4 | H7 | 119.5° | 119.8° |
| C1 | C2 | C3 | 119.4° | 120.0° |
| C1 | C2 | C7' | 120.0° | 120.0° |
| C2 | C1 | H12 | 119.5° | 120.2° |
| C4 | C3 | C2 | 120.0° | 120.5° |
| C3 | C4 | H7 | 119.5° | 119.8° |
| C4 | C3 | H8 | 120.0° | 119.7° |
| C3 | C2 | C7' | 120.6° | 120.0° |
| C2 | C3 | H8 | 120.0° | 119.8° |
| C2 | C7' | H9 | 109.5° | 109.5° |
| C2 | C7' | H10 | 109.5° | 109.5° |
| C2 | C7' | H11 | 109.5° | 109.5° |
| H1 | C2' | H2 | 109.5° | 109.9° |
| H3 | C1' | H4 | 109.5° | 109.5° |
| H5 | C18 | H6 | 109.5° | 109.0° |
| H9 | C7' | H10 | 109.5° | 109.4° |
| H9 | C7' | H11 | 109.5° | 109.5° |
| H10 | C7' | H11 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H16 | 109.4° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.4° | 109.5° |
| H20 | C20 | H22 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C9 | C10 | C8 | 178.4° | 179.9° |
| C19 | C9 | C10 | C11 | 177.9° | 180.0° |
| C19 | C9 | C8 | C7 | 56.9° | 58.5° |
| C19 | C9 | C8 | H13 | 123.0° | 121.5° |
| C9 | C19 | H14 | H15 | 120.0° | 120.0° |
| C9 | C19 | H14 | H16 | 120.0° | 120.0° |
| C9 | C19 | H15 | H16 | 120.0° | 119.9° |
| C19 | C9 | C10 | H17 | 2.1° | 0.0° |
| C9 | C10 | C11 | H17 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 172.3° | 180.0° |
| C10 | C9 | C8 | C7 | 124.7° | 121.5° |
| C10 | C9 | C8 | H13 | 55.4° | 58.5° |
| C10 | C9 | C19 | H14 | 180.0° | 84.8° |
| C10 | C9 | C19 | H15 | 60.0° | 35.3° |
| C10 | C9 | C19 | H16 | 60.0° | 155.2° |
| C9 | C10 | C11 | H18 | 7.7° | 0.0° |
| C10 | C11 | C12 | H18 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.1° | 180.0° |
| C11 | C10 | C9 | C8 | 0.4° | 0.0° |
| C10 | C11 | C12 | H19 | 0.9° | 0.0° |
| C11 | C12 | C13 | H19 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 137.2° | 180.0° |
| C11 | C12 | C13 | C20 | 43.8° | 0.0° |
| C12 | C11 | C10 | H17 | 7.7° | 0.0° |
| C12 | C13 | C14 | C20 | 179.0° | 180.0° |
| C12 | C13 | C14 | C15 | 179.5° | 171.8° |
| C13 | C12 | C11 | H18 | 0.9° | 0.0° |
| C12 | C13 | C20 | H20 | 180.0° | 95.7° |
| C12 | C13 | C20 | H21 | 60.0° | 144.3° |
| C12 | C13 | C20 | H22 | 60.0° | 24.3° |
| C12 | C13 | C14 | H23 | 0.5° | 8.2° |
| C9 | C8 | C7 | C2' | 0.0° | 6.9° |
| C9 | C8 | C7 | H13 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 178.7° | 173.0° |
| C8 | C9 | C19 | H14 | 1.6° | 95.2° |
| C8 | C9 | C19 | H15 | 121.6° | 144.8° |
| C8 | C9 | C19 | H16 | 118.4° | 24.8° |
| C8 | C9 | C10 | H17 | 179.5° | 179.9° |
| C13 | C14 | C15 | H23 | 180.0° | 180.0° |
| C13 | C14 | C15 | O2 | 152.2° | 3.5° |
| C13 | C14 | C15 | O1 | 25.9° | 176.6° |
| C14 | C13 | C12 | H19 | 42.8° | 0.0° |
| C14 | C13 | C20 | H20 | 1.0° | 84.2° |
| C14 | C13 | C20 | H21 | 119.0° | 35.8° |
| C14 | C13 | C20 | H22 | 121.1° | 155.8° |
| C15 | C14 | C13 | C20 | 0.5° | 8.2° |
| C14 | C15 | O2 | O1 | 178.1° | 179.9° |
| C14 | C15 | O1 | H24 | 178.0° | 180.0° |
| C20 | C13 | C12 | H19 | 136.2° | 180.0° |
| C13 | C20 | H20 | H21 | 120.0° | 120.0° |
| C13 | C20 | H20 | H22 | 120.0° | 120.0° |
| C13 | C20 | H21 | H22 | 120.0° | 120.0° |
| C20 | C13 | C14 | H23 | 179.5° | 171.8° |
| O2 | C15 | C14 | H23 | 27.7° | 176.5° |
| O2 | C15 | O1 | H24 | 0.0° | 0.1° |
| C1' | C2' | C7 | H1 | 120.4° | 119.4° |
| C1' | C2' | C7 | H2 | 120.4° | 119.5° |
| C1' | C2' | C7 | C8 | 162.0° | 137.5° |
| C2' | C1' | C18 | H3 | 120.6° | 120.0° |
| C2' | C1' | C18 | H4 | 120.6° | 120.0° |
| C1' | C2' | C7 | C6 | 19.4° | 42.6° |
| C2' | C1' | C18 | C5 | 48.0° | 54.6° |
| C1' | C2' | H1 | H2 | 118.6° | 121.0° |
| C2' | C1' | H3 | H4 | 118.2° | 120.0° |
| C2' | C1' | C18 | H5 | 168.4° | 175.1° |
| C2' | C1' | C18 | H6 | 72.5° | 65.9° |
| C2' | C7 | C8 | C6 | 178.7° | 179.9° |
| C7 | C2' | C1' | C18 | 44.3° | 64.0° |
| C2' | C7 | C6 | C5 | 2.4° | 11.5° |
| C2' | C7 | C6 | C1 | 176.9° | 168.8° |
| C7 | C2' | H1 | H2 | 118.7° | 121.1° |
| C7 | C2' | C1' | H3 | 76.3° | 56.0° |
| C7 | C2' | C1' | H4 | 164.9° | 176.0° |
| C2' | C7 | C8 | H13 | 179.9° | 173.0° |
| O1 | C15 | C14 | H23 | 154.1° | 3.4° |
| C8 | C7 | C6 | C5 | 176.2° | 168.6° |
| C8 | C7 | C6 | C1 | 4.4° | 11.1° |
| C8 | C7 | C2' | H1 | 77.6° | 103.0° |
| C8 | C7 | C2' | H2 | 41.6° | 18.0° |
| C1' | C18 | C5 | H5 | 120.4° | 120.5° |
| C1' | C18 | C5 | H6 | 120.4° | 120.4° |
| C1' | C18 | C5 | C6 | 26.7° | 22.6° |
| C1' | C18 | C5 | C4 | 154.0° | 157.4° |
| C18 | C1' | C2' | H1 | 76.2° | 55.5° |
| C18 | C1' | C2' | H2 | 164.7° | 176.5° |
| C18 | C1' | H3 | H4 | 118.2° | 120.1° |
| C1' | C18 | H5 | H6 | 118.6° | 119.1° |
| C7 | C6 | C5 | C18 | 1.4° | 0.6° |
| C7 | C6 | C5 | C1 | 179.4° | 179.7° |
| C7 | C6 | C5 | C4 | 179.3° | 179.5° |
| C7 | C6 | C1 | C2 | 179.7° | 179.5° |
| C6 | C7 | C2' | H1 | 101.0° | 76.9° |
| C6 | C7 | C2' | H2 | 139.8° | 162.1° |
| C7 | C6 | C1 | H12 | 0.4° | 0.5° |
| C6 | C7 | C8 | H13 | 1.3° | 7.1° |
| C18 | C5 | C6 | C4 | 179.3° | 180.0° |
| C18 | C5 | C6 | C1 | 179.3° | 179.7° |
| C18 | C5 | C4 | C3 | 178.2° | 179.8° |
| C5 | C18 | C1' | H3 | 72.6° | 65.4° |
| C5 | C18 | C1' | H4 | 168.5° | 174.5° |
| C5 | C18 | H5 | H6 | 118.6° | 119.1° |
| C18 | C5 | C4 | H7 | 1.7° | 0.2° |
| C5 | C6 | C1 | C2 | 1.0° | 0.2° |
| C6 | C5 | C4 | C3 | 1.1° | 0.1° |
| C6 | C5 | C18 | H5 | 147.1° | 143.1° |
| C6 | C5 | C18 | H6 | 93.7° | 97.8° |
| C6 | C5 | C4 | H7 | 178.9° | 179.9° |
| C5 | C6 | C1 | H12 | 179.0° | 179.8° |
| C1 | C6 | C5 | C4 | 0.0° | 0.3° |
| C6 | C1 | C2 | H12 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 1.0° | 0.1° |
| C6 | C1 | C2 | C7' | 179.2° | 180.0° |
| C5 | C4 | C3 | H7 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 1.1° | 0.0° |
| C4 | C5 | C18 | H5 | 33.6° | 36.9° |
| C4 | C5 | C18 | H6 | 85.5° | 82.1° |
| C5 | C4 | C3 | H8 | 178.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C1 | C2 | C3 | C7' | 179.8° | 180.0° |
| C1 | C2 | C3 | H8 | 179.9° | 179.9° |
| C1 | C2 | C7' | H9 | 89.9° | 89.9° |
| C1 | C2 | C7' | H10 | 150.1° | 30.0° |
| C1 | C2 | C7' | H11 | 30.1° | 150.0° |
| C4 | C3 | C2 | H8 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7' | 179.7° | 179.9° |
| C2 | C3 | C4 | H7 | 178.9° | 179.9° |
| C3 | C2 | C7' | H9 | 89.9° | 90.0° |
| C3 | C2 | C7' | H10 | 30.1° | 150.0° |
| C3 | C2 | C7' | H11 | 150.1° | 30.0° |
| C3 | C2 | C1 | H12 | 179.0° | 180.0° |
| C7' | C2 | C3 | H8 | 0.3° | 0.1° |
| C2 | C7' | H9 | H10 | 120.0° | 120.0° |
| C2 | C7' | H9 | H11 | 120.0° | 120.1° |
| C2 | C7' | H10 | H11 | 120.0° | 120.0° |
| C7' | C2 | C1 | H12 | 0.8° | 0.0° |
| H1 | C2' | C1' | H3 | 163.2° | 175.4° |
| H1 | C2' | C1' | H4 | 44.4° | 64.5° |
| H2 | C2' | C1' | H3 | 44.1° | 63.5° |
| H2 | C2' | C1' | H4 | 74.7° | 56.5° |
| H3 | C1' | C18 | H5 | 47.8° | 55.1° |
| H3 | C1' | C18 | H6 | 166.9° | 174.1° |
| H4 | C1' | C18 | H5 | 71.0° | 65.0° |
| H4 | C1' | C18 | H6 | 48.1° | 54.1° |
| H7 | C4 | C3 | H8 | 1.1° | 0.1° |
| H9 | C7' | H10 | H11 | 120.0° | 120.0° |
| H14 | C19 | H15 | H16 | 119.9° | 120.0° |
| H17 | C10 | C11 | H18 | 172.3° | 180.0° |
| H18 | C11 | C12 | H19 | 179.1° | 180.0° |
| H20 | C20 | H21 | H22 | 120.0° | 120.0° |
