P5G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | O4 | sing | 1.43Å | 1.43Å | |
| O4 | C15 | sing | 1.36Å | 1.37Å | |
| C15 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| O3 | C14 | sing | 1.36Å | 1.36Å | |
| C17 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.40Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.55Å | |
| C7 | O2 | sing | 1.44Å | 1.46Å | |
| C7 | C6 | sing | 1.54Å | 1.53Å | |
| O2 | C8 | sing | 1.45Å | 1.47Å | |
| C9 | C6 | sing | 1.55Å | 1.53Å | |
| C9 | C8 | sing | 1.54Å | 1.54Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.51Å | 1.40Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C2 | sing | 1.36Å | 1.36Å | |
| C4 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | O5 | sing | 1.36Å | 1.36Å | |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C10 | H9L | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H9N | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H9M | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H9O | sing | 1.09Å | 1.10Å | |
| C16 | H9P | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O3 | H32 | sing | 0.97Å | 0.95Å | |
| O5 | H53 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | O4 | C15 | 114.0° | 117.0° |
| O4 | C16 | H16 | 109.5° | 109.4° |
| O4 | C16 | H9O | 109.4° | 109.5° |
| O4 | C16 | H9P | 109.5° | 109.5° |
| O4 | C15 | C17 | 124.7° | 120.1° |
| O4 | C15 | C14 | 115.3° | 120.1° |
| C17 | C15 | C14 | 120.0° | 119.8° |
| C15 | C17 | C11 | 119.5° | 120.0° |
| C15 | C17 | H17 | 120.3° | 120.0° |
| C15 | C14 | O3 | 116.7° | 120.1° |
| C15 | C14 | C13 | 120.8° | 119.9° |
| O3 | C14 | C13 | 122.5° | 120.0° |
| C14 | O3 | H32 | 109.5° | 114.0° |
| C17 | C11 | C10 | 120.5° | 119.9° |
| C17 | C11 | C12 | 119.9° | 120.1° |
| C11 | C17 | H17 | 120.2° | 120.0° |
| C14 | C13 | C12 | 119.2° | 120.0° |
| C14 | C13 | H9N | 120.4° | 120.0° |
| C10 | C11 | C12 | 119.7° | 120.0° |
| C11 | C10 | C9 | 108.5° | 109.5° |
| C11 | C10 | H9L | 109.7° | 109.5° |
| C11 | C10 | H10 | 109.7° | 109.5° |
| C11 | C12 | C13 | 120.6° | 120.2° |
| C11 | C12 | H9M | 119.7° | 119.9° |
| C12 | C13 | H9N | 120.4° | 120.0° |
| C13 | C12 | H9M | 119.7° | 119.9° |
| C10 | C9 | C6 | 114.0° | 110.5° |
| C10 | C9 | C8 | 110.2° | 110.5° |
| C9 | C10 | H9L | 109.7° | 109.5° |
| C9 | C10 | H10 | 109.7° | 109.5° |
| C10 | C9 | H9 | 110.7° | 110.5° |
| O2 | C7 | C6 | 103.8° | 104.8° |
| C7 | O2 | C8 | 107.3° | 105.3° |
| O2 | C7 | H72 | 110.9° | 110.3° |
| O2 | C7 | H71 | 110.9° | 110.3° |
| C7 | C6 | C9 | 99.1° | 104.2° |
| C7 | C6 | C5 | 109.4° | 110.5° |
| C7 | C6 | H6 | 111.2° | 110.5° |
| C6 | C7 | H72 | 110.9° | 110.4° |
| C6 | C7 | H71 | 110.9° | 110.4° |
| O2 | C8 | C9 | 105.7° | 104.8° |
| O2 | C8 | H81 | 110.4° | 110.4° |
| O2 | C8 | H82 | 110.4° | 110.5° |
| C6 | C9 | C8 | 99.8° | 104.1° |
| C9 | C6 | C5 | 114.1° | 110.5° |
| C9 | C6 | H6 | 111.3° | 110.5° |
| C6 | C9 | H9 | 110.9° | 110.5° |
| C9 | C8 | H81 | 110.4° | 110.4° |
| C9 | C8 | H82 | 110.4° | 110.3° |
| C8 | C9 | H9 | 110.8° | 110.6° |
| C6 | C5 | C4 | 112.4° | 109.4° |
| C6 | C5 | H52 | 108.7° | 109.5° |
| C6 | C5 | H51 | 108.8° | 109.5° |
| C5 | C6 | H6 | 111.1° | 110.5° |
| C1 | O1 | C2 | 113.3° | 117.0° |
| O1 | C1 | H12 | 109.5° | 109.5° |
| O1 | C1 | H13 | 109.5° | 109.5° |
| O1 | C1 | H11 | 109.5° | 109.5° |
| C5 | C4 | C3 | 122.2° | 119.9° |
| C5 | C4 | C18 | 118.6° | 119.9° |
| C4 | C5 | H52 | 108.7° | 109.5° |
| C4 | C5 | H51 | 108.8° | 109.5° |
| C4 | C3 | C2 | 120.2° | 120.0° |
| C3 | C4 | C18 | 119.2° | 120.2° |
| C4 | C3 | H31 | 119.9° | 120.0° |
| C3 | C2 | O1 | 124.3° | 120.1° |
| C3 | C2 | C20 | 119.9° | 119.8° |
| C2 | C3 | H31 | 119.9° | 120.0° |
| O1 | C2 | C20 | 115.7° | 120.1° |
| C4 | C18 | C19 | 120.6° | 120.2° |
| C4 | C18 | H18 | 119.7° | 119.9° |
| C2 | C20 | O5 | 116.7° | 120.1° |
| C2 | C20 | C19 | 120.5° | 119.9° |
| C18 | C19 | C20 | 119.6° | 120.0° |
| C19 | C18 | H18 | 119.7° | 120.0° |
| C18 | C19 | H19 | 120.2° | 120.0° |
| O5 | C20 | C19 | 122.9° | 120.0° |
| C20 | O5 | H53 | 109.5° | 114.0° |
| C20 | C19 | H19 | 120.2° | 120.0° |
| H52 | C5 | H51 | 109.5° | 109.5° |
| H72 | C7 | H71 | 109.5° | 110.5° |
| H81 | C8 | H82 | 109.5° | 110.3° |
| H9L | C10 | H10 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H11 | 109.4° | 109.5° |
| H13 | C1 | H11 | 109.5° | 109.5° |
| H16 | C16 | H9O | 109.5° | 109.5° |
| H16 | C16 | H9P | 109.4° | 109.5° |
| H9O | C16 | H9P | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | O4 | C15 | C17 | 6.4° | 0.1° |
| C16 | O4 | C15 | C14 | 172.9° | 179.7° |
| O4 | C16 | H16 | H9O | 120.0° | 120.0° |
| O4 | C16 | H16 | H9P | 120.0° | 120.0° |
| O4 | C16 | H9O | H9P | 120.0° | 120.0° |
| O4 | C15 | C17 | C14 | 179.2° | 179.8° |
| O4 | C15 | C14 | O3 | 0.6° | 0.2° |
| O4 | C15 | C17 | C11 | 179.5° | 180.0° |
| O4 | C15 | C14 | C13 | 179.9° | 179.8° |
| O4 | C15 | C17 | H17 | 0.5° | 0.3° |
| C15 | O4 | C16 | H16 | 180.0° | 60.0° |
| C15 | O4 | C16 | H9O | 60.0° | 59.9° |
| C15 | O4 | C16 | H9P | 60.0° | 180.0° |
| C17 | C15 | C14 | O3 | 179.9° | 180.0° |
| C15 | C17 | C11 | H17 | 180.0° | 179.7° |
| C17 | C15 | C14 | C13 | 0.6° | 0.0° |
| C15 | C17 | C11 | C10 | 179.7° | 180.0° |
| C15 | C17 | C11 | C12 | 0.1° | 0.5° |
| C15 | C14 | O3 | C13 | 179.6° | 179.9° |
| C14 | C15 | C17 | C11 | 0.3° | 0.2° |
| C15 | C14 | C13 | C12 | 0.5° | 0.0° |
| C15 | C14 | C13 | H9N | 179.5° | 179.6° |
| C14 | C15 | C17 | H17 | 179.7° | 179.9° |
| C15 | C14 | O3 | H32 | 180.0° | 89.9° |
| O3 | C14 | C13 | C12 | 180.0° | 179.9° |
| O3 | C14 | C13 | H9N | 0.0° | 0.3° |
| C17 | C11 | C10 | C12 | 179.8° | 179.4° |
| C17 | C11 | C12 | C13 | 0.2° | 0.6° |
| C17 | C11 | C10 | C9 | 92.2° | 90.0° |
| C17 | C11 | C10 | H9L | 148.0° | 150.0° |
| C17 | C11 | C10 | H10 | 27.7° | 30.0° |
| C17 | C11 | C12 | H9M | 179.8° | 179.5° |
| C14 | C13 | C12 | C11 | 0.1° | 0.3° |
| C14 | C13 | C12 | H9N | 180.0° | 179.7° |
| C14 | C13 | C12 | H9M | 179.9° | 179.7° |
| C13 | C14 | O3 | H32 | 0.5° | 90.0° |
| C10 | C11 | C12 | C13 | 179.6° | 180.0° |
| C11 | C10 | C9 | H9L | 119.8° | 120.0° |
| C11 | C10 | C9 | H10 | 119.9° | 120.0° |
| C11 | C10 | C9 | C6 | 86.7° | 175.0° |
| C11 | C10 | C9 | C8 | 162.1° | 70.4° |
| C11 | C10 | H9L | H10 | 120.4° | 120.0° |
| C10 | C11 | C17 | H17 | 0.3° | 0.3° |
| C10 | C11 | C12 | H9M | 0.4° | 0.0° |
| C11 | C10 | C9 | H9 | 39.2° | 52.4° |
| C11 | C12 | C13 | H9M | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 87.7° | 90.6° |
| C12 | C11 | C10 | H9L | 32.2° | 29.4° |
| C12 | C11 | C10 | H10 | 152.5° | 149.5° |
| C11 | C12 | C13 | H9N | 179.9° | 179.9° |
| C12 | C11 | C17 | H17 | 179.9° | 179.8° |
| C10 | C9 | C6 | C7 | 70.2° | 118.6° |
| C10 | C9 | C8 | O2 | 85.7° | 94.7° |
| C10 | C9 | C6 | C8 | 117.4° | 118.7° |
| C10 | C9 | C6 | H9 | 125.8° | 122.6° |
| C10 | C9 | C8 | H9 | 122.8° | 122.7° |
| C10 | C9 | C6 | C5 | 173.7° | 122.7° |
| C10 | C9 | C6 | H6 | 46.9° | 0.1° |
| C10 | C9 | C8 | H81 | 33.7° | 146.4° |
| C10 | C9 | C8 | H82 | 154.9° | 24.3° |
| C9 | C10 | H9L | H10 | 120.4° | 120.0° |
| O2 | C7 | C6 | H72 | 119.1° | 118.8° |
| O2 | C7 | C6 | H71 | 119.1° | 118.8° |
| O2 | C7 | C6 | C9 | 44.4° | 23.9° |
| C7 | O2 | C8 | C9 | 7.1° | 40.4° |
| O2 | C7 | C6 | C5 | 75.2° | 142.6° |
| O2 | C7 | C6 | H6 | 161.7° | 94.8° |
| O2 | C7 | H72 | H71 | 122.6° | 122.3° |
| C7 | O2 | C8 | H81 | 126.5° | 78.4° |
| C7 | O2 | C8 | H82 | 112.3° | 159.3° |
| C6 | C7 | O2 | C8 | 23.4° | 40.4° |
| C7 | C6 | C9 | C5 | 116.1° | 118.7° |
| C7 | C6 | C9 | H6 | 117.2° | 118.7° |
| C7 | C6 | C9 | C8 | 47.1° | 0.1° |
| C7 | C6 | C5 | H6 | 123.2° | 122.6° |
| C7 | C6 | C5 | C4 | 178.5° | 68.3° |
| C7 | C6 | C5 | H52 | 61.1° | 51.7° |
| C7 | C6 | C5 | H51 | 58.0° | 171.7° |
| C6 | C7 | H72 | H71 | 122.7° | 122.4° |
| C7 | C6 | C9 | H9 | 164.0° | 118.9° |
| O2 | C8 | C9 | C6 | 34.5° | 24.0° |
| O2 | C8 | C9 | H81 | 119.4° | 118.9° |
| O2 | C8 | C9 | H82 | 119.4° | 119.0° |
| C8 | O2 | C7 | H72 | 142.5° | 159.2° |
| C8 | O2 | C7 | H71 | 95.7° | 78.5° |
| O2 | C8 | H81 | H82 | 121.8° | 122.4° |
| O2 | C8 | C9 | H9 | 151.4° | 142.6° |
| C6 | C9 | C8 | H9 | 117.0° | 118.7° |
| C9 | C6 | C5 | H6 | 126.8° | 122.6° |
| C9 | C6 | C5 | C4 | 71.6° | 176.9° |
| C9 | C6 | C5 | H52 | 48.8° | 63.1° |
| C9 | C6 | C5 | H51 | 167.9° | 56.9° |
| C9 | C6 | C7 | H72 | 163.5° | 142.7° |
| C9 | C6 | C7 | H71 | 74.7° | 94.9° |
| C6 | C9 | C8 | H81 | 153.9° | 94.9° |
| C6 | C9 | C8 | H82 | 84.9° | 142.9° |
| C6 | C9 | C10 | H9L | 153.4° | 65.0° |
| C6 | C9 | C10 | H10 | 33.2° | 55.0° |
| C8 | C9 | C6 | C5 | 69.0° | 118.6° |
| C8 | C9 | C6 | H6 | 164.3° | 118.7° |
| C9 | C8 | H81 | H82 | 121.7° | 122.2° |
| C8 | C9 | C10 | H9L | 42.3° | 49.6° |
| C8 | C9 | C10 | H10 | 78.0° | 169.6° |
| C6 | C5 | C4 | H52 | 120.4° | 120.0° |
| C6 | C5 | C4 | H51 | 120.5° | 120.0° |
| C6 | C5 | C4 | C3 | 32.3° | 90.3° |
| C6 | C5 | C4 | C18 | 147.9° | 90.0° |
| C6 | C5 | H52 | H51 | 118.7° | 120.0° |
| C5 | C6 | C7 | H72 | 43.9° | 98.6° |
| C5 | C6 | C7 | H71 | 165.7° | 23.8° |
| C5 | C6 | C9 | H9 | 47.9° | 0.2° |
| C1 | O1 | C2 | C3 | 9.9° | 0.3° |
| C1 | O1 | C2 | C20 | 170.2° | 180.0° |
| O1 | C1 | H12 | H13 | 120.0° | 120.0° |
| O1 | C1 | H12 | H11 | 120.0° | 120.0° |
| O1 | C1 | H13 | H11 | 120.0° | 120.0° |
| C5 | C4 | C3 | C18 | 179.8° | 179.7° |
| C5 | C4 | C3 | C2 | 179.8° | 179.7° |
| C5 | C4 | C18 | C19 | 179.8° | 179.9° |
| C4 | C5 | H52 | H51 | 118.7° | 120.0° |
| C4 | C5 | C6 | H6 | 55.2° | 54.3° |
| C5 | C4 | C18 | H18 | 0.2° | 0.0° |
| C5 | C4 | C3 | H31 | 0.2° | 0.3° |
| C4 | C3 | C2 | H31 | 180.0° | 179.9° |
| C4 | C3 | C2 | O1 | 179.8° | 179.7° |
| C4 | C3 | C2 | C20 | 0.2° | 0.6° |
| C3 | C4 | C18 | C19 | 0.4° | 0.2° |
| C3 | C4 | C5 | H52 | 152.8° | 29.7° |
| C3 | C4 | C5 | H51 | 88.1° | 149.7° |
| C3 | C4 | C18 | H18 | 179.6° | 179.7° |
| C3 | C2 | O1 | C20 | 179.9° | 179.7° |
| C2 | C3 | C4 | C18 | 0.4° | 0.0° |
| C3 | C2 | C20 | O5 | 179.9° | 179.7° |
| C3 | C2 | C20 | C19 | 0.1° | 0.9° |
| O1 | C2 | C20 | O5 | 0.0° | 0.0° |
| O1 | C2 | C20 | C19 | 180.0° | 179.5° |
| C2 | O1 | C1 | H12 | 180.0° | 60.0° |
| C2 | O1 | C1 | H13 | 60.0° | 180.0° |
| C2 | O1 | C1 | H11 | 60.0° | 60.0° |
| O1 | C2 | C3 | H31 | 0.2° | 0.2° |
| C4 | C18 | C19 | H18 | 180.0° | 179.9° |
| C4 | C18 | C19 | C20 | 0.2° | 0.1° |
| C18 | C4 | C5 | H52 | 27.4° | 150.0° |
| C18 | C4 | C5 | H51 | 91.7° | 30.0° |
| C4 | C18 | C19 | H19 | 179.8° | 180.0° |
| C18 | C4 | C3 | H31 | 179.6° | 180.0° |
| C2 | C20 | C19 | C18 | 0.1° | 0.6° |
| C2 | C20 | O5 | C19 | 180.0° | 179.4° |
| C2 | C20 | C19 | H19 | 179.9° | 179.5° |
| C20 | C2 | C3 | H31 | 179.7° | 179.5° |
| C2 | C20 | O5 | H53 | 180.0° | 89.5° |
| C18 | C19 | C20 | O5 | 179.9° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| O5 | C20 | C19 | H19 | 0.1° | 0.0° |
| C20 | C19 | C18 | H18 | 179.8° | 180.0° |
| C19 | C20 | O5 | H53 | 0.0° | 89.9° |
| H52 | C5 | C6 | H6 | 175.7° | 174.3° |
| H51 | C5 | C6 | H6 | 65.2° | 65.7° |
| H6 | C6 | C7 | H72 | 79.3° | 24.0° |
| H6 | C6 | C7 | H71 | 42.6° | 146.4° |
| H6 | C6 | C9 | H9 | 78.9° | 122.5° |
| H81 | C8 | C9 | H9 | 89.2° | 23.8° |
| H82 | C8 | C9 | H9 | 32.0° | 98.4° |
| H9L | C10 | C9 | H9 | 80.6° | 172.4° |
| H10 | C10 | C9 | H9 | 159.1° | 67.6° |
| H9N | C13 | C12 | H9M | 0.1° | 0.1° |
| H12 | C1 | H13 | H11 | 120.0° | 120.0° |
| H16 | C16 | H9O | H9P | 120.0° | 120.0° |
| H18 | C18 | C19 | H19 | 0.2° | 0.1° |
