P7K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C16 | sing | 1.53Å | 1.50Å | |
| O4 | C16 | sing | 1.43Å | 1.43Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | C13 | sing | 1.50Å | 1.50Å | |
| C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.34Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| C18 | O3 | doub | 1.21Å | 1.27Å | |
| C18 | C14 | sing | 1.48Å | 1.50Å | |
| C11 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.48Å | |
| C9 | C10 | sing | 1.48Å | 1.48Å | |
| O1 | C7 | doub | 1.22Å | 1.26Å | |
| C7 | C5 | sing | 1.47Å | 1.45Å | |
| C10 | O2 | doub | 1.21Å | 1.25Å | |
| C10 | C6 | sing | 1.48Å | 1.46Å | |
| C5 | C6 | doub | 1.41Å | 1.42Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| O5 | C4 | sing | 1.36Å | 1.35Å | |
| O5 | C20 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C16 | O4 | 113.9° | 109.5° |
| C19 | C16 | C15 | 106.7° | 109.5° |
| C19 | C16 | C17 | 112.3° | 109.5° |
| C16 | C19 | H10 | 109.5° | 109.5° |
| C16 | C19 | H11 | 109.5° | 109.5° |
| C16 | C19 | H12 | 109.5° | 109.4° |
| O4 | C16 | C15 | 107.5° | 109.5° |
| O4 | C16 | C17 | 107.4° | 109.5° |
| C16 | O4 | H13 | 109.5° | 113.9° |
| C15 | C16 | C17 | 108.8° | 109.4° |
| C16 | C15 | C13 | 115.3° | 111.3° |
| C16 | C15 | H6 | 108.0° | 109.1° |
| C16 | C15 | H7 | 108.0° | 109.1° |
| C16 | C17 | C18 | 113.1° | 107.4° |
| C16 | C17 | H8 | 108.6° | 109.9° |
| C16 | C17 | H9 | 108.5° | 109.9° |
| C15 | C13 | C12 | 116.9° | 119.0° |
| C15 | C13 | C14 | 124.4° | 121.4° |
| C13 | C15 | H6 | 108.0° | 109.1° |
| C13 | C15 | H7 | 108.0° | 109.1° |
| C13 | C12 | C11 | 121.9° | 120.9° |
| C12 | C13 | C14 | 118.6° | 119.6° |
| C13 | C12 | H2 | 119.0° | 119.5° |
| C12 | C11 | C8 | 120.9° | 120.3° |
| C12 | C11 | H1 | 119.6° | 119.8° |
| C11 | C12 | H2 | 119.1° | 119.6° |
| C13 | C14 | C18 | 116.4° | 120.1° |
| C13 | C14 | C9 | 119.7° | 120.0° |
| C17 | C18 | O3 | 121.1° | 121.2° |
| C17 | C18 | C14 | 115.5° | 117.7° |
| C18 | C17 | H8 | 108.6° | 109.8° |
| C18 | C17 | H9 | 108.6° | 109.9° |
| O3 | C18 | C14 | 121.7° | 121.2° |
| C18 | C14 | C9 | 123.7° | 119.8° |
| C11 | C8 | C9 | 119.0° | 119.6° |
| C11 | C8 | C7 | 118.7° | 120.7° |
| C8 | C11 | H1 | 119.5° | 119.9° |
| C14 | C9 | C8 | 119.2° | 119.6° |
| C14 | C9 | C10 | 121.9° | 120.7° |
| C9 | C8 | C7 | 122.1° | 119.7° |
| C8 | C9 | C10 | 118.3° | 119.7° |
| C8 | C7 | O1 | 120.6° | 120.3° |
| C8 | C7 | C5 | 116.5° | 119.3° |
| C9 | C10 | O2 | 123.7° | 120.4° |
| C9 | C10 | C6 | 118.2° | 119.1° |
| O1 | C7 | C5 | 121.6° | 120.4° |
| C7 | C5 | C6 | 122.3° | 119.7° |
| C7 | C5 | C4 | 118.8° | 120.7° |
| O2 | C10 | C6 | 117.8° | 120.5° |
| C10 | C6 | C5 | 119.9° | 119.6° |
| C10 | C6 | C1 | 118.0° | 120.6° |
| C6 | C5 | C4 | 118.8° | 119.6° |
| C5 | C6 | C1 | 122.1° | 119.8° |
| C5 | C4 | O5 | 114.9° | 120.1° |
| C5 | C4 | C3 | 118.3° | 119.6° |
| C6 | C1 | C2 | 117.3° | 120.0° |
| C6 | C1 | H4 | 121.4° | 120.0° |
| C4 | O5 | C20 | 120.2° | 117.0° |
| O5 | C4 | C3 | 126.8° | 120.2° |
| O5 | C20 | H14 | 109.5° | 109.5° |
| O5 | C20 | H15 | 109.5° | 109.5° |
| O5 | C20 | H16 | 109.4° | 109.5° |
| C4 | C3 | C2 | 121.4° | 120.4° |
| C4 | C3 | H3 | 119.3° | 119.8° |
| C1 | C2 | C3 | 122.0° | 120.6° |
| C2 | C1 | H4 | 121.4° | 120.0° |
| C1 | C2 | H5 | 119.0° | 119.7° |
| C2 | C3 | H3 | 119.3° | 119.8° |
| C3 | C2 | H5 | 119.0° | 119.7° |
| H6 | C15 | H7 | 109.5° | 109.1° |
| H8 | C17 | H9 | 109.5° | 109.9° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H10 | C19 | H12 | 109.4° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H14 | C20 | H16 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C16 | O4 | C15 | 118.0° | 120.0° |
| C19 | C16 | O4 | C17 | 125.1° | 120.0° |
| C19 | C16 | C15 | C17 | 121.4° | 120.0° |
| C19 | C16 | C15 | C13 | 82.8° | 174.7° |
| C19 | C16 | C17 | C18 | 60.8° | 176.1° |
| C19 | C16 | C15 | H6 | 156.3° | 54.3° |
| C19 | C16 | C15 | H7 | 38.0° | 64.8° |
| C19 | C16 | C17 | H8 | 59.7° | 64.5° |
| C19 | C16 | C17 | H9 | 178.7° | 56.6° |
| C16 | C19 | H10 | H11 | 120.0° | 120.0° |
| C16 | C19 | H10 | H12 | 120.0° | 120.0° |
| C16 | C19 | H11 | H12 | 120.0° | 120.0° |
| C19 | C16 | O4 | H13 | 180.0° | 60.0° |
| O4 | C16 | C15 | C17 | 116.0° | 120.0° |
| O4 | C16 | C15 | C13 | 154.6° | 65.2° |
| O4 | C16 | C17 | C18 | 173.2° | 56.1° |
| O4 | C16 | C15 | H6 | 33.8° | 174.3° |
| O4 | C16 | C15 | H7 | 84.6° | 55.3° |
| O4 | C16 | C17 | H8 | 66.3° | 175.5° |
| O4 | C16 | C17 | H9 | 52.6° | 63.5° |
| O4 | C16 | C19 | H10 | 180.0° | 60.0° |
| O4 | C16 | C19 | H11 | 60.0° | 60.0° |
| O4 | C16 | C19 | H12 | 60.0° | 180.0° |
| C16 | C15 | C13 | H6 | 120.8° | 120.5° |
| C16 | C15 | C13 | H7 | 120.8° | 120.4° |
| C16 | C15 | C13 | C12 | 160.6° | 157.2° |
| C16 | C15 | C13 | C14 | 16.0° | 23.0° |
| C15 | C16 | C17 | C18 | 57.1° | 63.9° |
| C16 | C15 | H6 | H7 | 117.3° | 119.0° |
| C15 | C16 | C17 | H8 | 177.6° | 55.5° |
| C15 | C16 | C17 | H9 | 63.5° | 176.6° |
| C15 | C16 | C19 | H10 | 61.5° | 60.0° |
| C15 | C16 | C19 | H11 | 58.5° | 180.0° |
| C15 | C16 | C19 | H12 | 178.5° | 60.0° |
| C15 | C16 | O4 | H13 | 62.0° | 180.0° |
| C17 | C16 | C15 | C13 | 38.6° | 54.8° |
| C16 | C17 | C18 | H8 | 120.5° | 119.4° |
| C16 | C17 | C18 | H9 | 120.5° | 119.5° |
| C16 | C17 | C18 | O3 | 113.3° | 137.5° |
| C16 | C17 | C18 | C14 | 52.1° | 42.5° |
| C17 | C16 | C15 | H6 | 82.3° | 65.7° |
| C17 | C16 | C15 | H7 | 159.4° | 175.3° |
| C16 | C17 | H8 | H9 | 118.3° | 121.0° |
| C17 | C16 | C19 | H10 | 57.6° | 179.9° |
| C17 | C16 | C19 | H11 | 177.6° | 60.1° |
| C17 | C16 | C19 | H12 | 62.4° | 60.0° |
| C17 | C16 | O4 | H13 | 54.9° | 60.1° |
| C15 | C13 | C12 | C14 | 176.7° | 179.7° |
| C15 | C13 | C12 | C11 | 176.3° | 179.4° |
| C15 | C13 | C14 | C18 | 8.3° | 1.0° |
| C15 | C13 | C14 | C9 | 175.9° | 179.2° |
| C15 | C13 | C12 | H2 | 3.7° | 0.5° |
| C13 | C15 | H6 | H7 | 117.3° | 119.1° |
| C13 | C12 | C11 | H2 | 180.0° | 179.9° |
| C12 | C13 | C14 | C18 | 168.2° | 179.3° |
| C13 | C12 | C11 | C8 | 0.1° | 0.0° |
| C12 | C13 | C14 | C9 | 7.6° | 0.5° |
| C13 | C12 | C11 | H1 | 180.0° | 180.0° |
| C12 | C13 | C15 | H6 | 78.6° | 82.3° |
| C12 | C13 | C15 | H7 | 39.7° | 36.8° |
| C11 | C12 | C13 | C14 | 6.9° | 0.4° |
| C12 | C11 | C8 | H1 | 180.0° | 179.9° |
| C12 | C11 | C8 | C9 | 6.0° | 0.2° |
| C12 | C11 | C8 | C7 | 179.3° | 179.7° |
| C13 | C14 | C18 | C17 | 25.8° | 11.6° |
| C13 | C14 | C18 | O3 | 139.5° | 168.3° |
| C13 | C14 | C18 | C9 | 175.6° | 179.8° |
| C13 | C14 | C9 | C8 | 1.7° | 0.3° |
| C13 | C14 | C9 | C10 | 169.3° | 179.7° |
| C14 | C13 | C12 | H2 | 173.1° | 179.7° |
| C14 | C13 | C15 | H6 | 104.9° | 97.5° |
| C14 | C13 | C15 | H7 | 136.8° | 143.5° |
| C17 | C18 | O3 | C14 | 164.5° | 179.9° |
| C17 | C18 | C14 | C9 | 158.6° | 168.5° |
| C18 | C17 | H8 | H9 | 118.4° | 121.1° |
| O3 | C18 | C14 | C9 | 36.1° | 11.6° |
| O3 | C18 | C17 | H8 | 7.2° | 103.1° |
| O3 | C18 | C17 | H9 | 126.2° | 18.0° |
| C18 | C14 | C9 | C8 | 173.7° | 179.5° |
| C18 | C14 | C9 | C10 | 15.3° | 0.5° |
| C14 | C18 | C17 | H8 | 172.6° | 77.0° |
| C14 | C18 | C17 | H9 | 68.5° | 161.9° |
| C11 | C8 | C9 | C14 | 5.0° | 0.0° |
| C11 | C8 | C9 | C7 | 174.5° | 179.8° |
| C11 | C8 | C9 | C10 | 176.4° | 180.0° |
| C11 | C8 | C7 | O1 | 1.9° | 13.9° |
| C11 | C8 | C7 | C5 | 169.4° | 166.1° |
| C8 | C11 | C12 | H2 | 180.0° | 179.9° |
| C14 | C9 | C8 | C10 | 171.3° | 180.0° |
| C14 | C9 | C8 | C7 | 179.5° | 179.8° |
| C14 | C9 | C10 | O2 | 16.4° | 13.8° |
| C14 | C9 | C10 | C6 | 170.3° | 166.1° |
| C9 | C8 | C7 | O1 | 172.6° | 166.3° |
| C9 | C8 | C7 | C5 | 5.1° | 13.7° |
| C8 | C9 | C10 | O2 | 154.7° | 166.2° |
| C8 | C9 | C10 | C6 | 18.6° | 13.9° |
| C9 | C8 | C11 | H1 | 174.0° | 179.8° |
| C7 | C8 | C9 | C10 | 9.1° | 0.2° |
| C8 | C7 | O1 | C5 | 166.9° | 180.0° |
| C8 | C7 | C5 | C6 | 10.2° | 13.8° |
| C8 | C7 | C5 | C4 | 166.4° | 166.1° |
| C7 | C8 | C11 | H1 | 0.7° | 0.4° |
| C9 | C10 | O2 | C6 | 173.4° | 180.0° |
| C9 | C10 | C6 | C5 | 14.1° | 13.7° |
| C9 | C10 | C6 | C1 | 163.9° | 166.3° |
| O1 | C7 | C5 | C6 | 177.5° | 166.1° |
| O1 | C7 | C5 | C4 | 0.9° | 13.9° |
| C7 | C5 | C6 | C10 | 0.6° | 0.1° |
| C7 | C5 | C6 | C4 | 176.6° | 180.0° |
| C7 | C5 | C6 | C1 | 178.4° | 179.9° |
| C7 | C5 | C4 | O5 | 3.3° | 0.3° |
| C7 | C5 | C4 | C3 | 178.6° | 180.0° |
| O2 | C10 | C6 | C5 | 159.7° | 166.3° |
| O2 | C10 | C6 | C1 | 22.3° | 13.7° |
| C10 | C6 | C5 | C1 | 177.9° | 180.0° |
| C10 | C6 | C5 | C4 | 176.1° | 179.8° |
| C10 | C6 | C1 | C2 | 175.2° | 179.8° |
| C10 | C6 | C1 | H4 | 4.8° | 0.1° |
| C6 | C5 | C4 | O5 | 180.0° | 179.8° |
| C6 | C5 | C4 | C3 | 1.8° | 0.0° |
| C5 | C6 | C1 | C2 | 2.7° | 0.2° |
| C5 | C6 | C1 | H4 | 177.3° | 179.9° |
| C4 | C5 | C6 | C1 | 1.8° | 0.2° |
| C5 | C4 | O5 | C3 | 178.0° | 179.7° |
| C5 | C4 | O5 | C20 | 176.3° | 179.7° |
| C5 | C4 | C3 | C2 | 2.8° | 0.1° |
| C5 | C4 | C3 | H3 | 177.1° | 179.9° |
| C6 | C1 | C2 | H4 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 3.7° | 0.1° |
| C6 | C1 | C2 | H5 | 176.3° | 180.0° |
| O5 | C4 | C3 | C2 | 179.2° | 179.7° |
| O5 | C4 | C3 | H3 | 0.8° | 0.3° |
| C4 | O5 | C20 | H14 | 180.0° | 180.0° |
| C4 | O5 | C20 | H15 | 60.0° | 60.0° |
| C4 | O5 | C20 | H16 | 60.0° | 60.0° |
| C20 | O5 | C4 | C3 | 1.7° | 0.0° |
| O5 | C20 | H14 | H15 | 120.0° | 120.0° |
| O5 | C20 | H14 | H16 | 120.0° | 120.0° |
| O5 | C20 | H15 | H16 | 120.0° | 120.0° |
| C4 | C3 | C2 | C1 | 3.9° | 0.1° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H5 | 176.1° | 179.9° |
| C1 | C2 | C3 | H5 | 180.0° | 179.9° |
| C1 | C2 | C3 | H3 | 176.1° | 179.9° |
| C3 | C2 | C1 | H4 | 176.3° | 180.0° |
| H1 | C11 | C12 | H2 | 0.0° | 0.1° |
| H3 | C3 | C2 | H5 | 3.9° | 0.1° |
| H4 | C1 | C2 | H5 | 3.7° | 0.1° |
| H10 | C19 | H11 | H12 | 120.0° | 120.0° |
| H14 | C20 | H15 | H16 | 120.0° | 120.0° |
